psnGPCR

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Color	ConSurf Grade
	No Conservation data available
	1
	2
	3
	4
	5
	6
	7
	8
	9

Index: link id, click on each number to highlight the corresponding link in the 3D visualization.

Node1 Node2: the two nodes of the corresponding link.

Int. Strength: the interaction strength between the two nodes.

Hub1?, Hub2?: "Yes" if the corresponding node has more than 3 links, otherwise "No".

Community: the id of the community the link belong to, otherwise 0.

ConSurf1, ConSurf2: these columns report the ConSurf conservation grades of the two nodes involved in a link.

Index	Node1	Node2	Int. Strength	Hub1?	Hub2?	Community	ConSurf1	ConSurf2
1	R:R:F47	R:R:V44	3.93	No	No	0	4	5
2	R:R:F48	R:R:V44	5.24	No	No	0	4	5
3	R:R:L46	R:R:M98	4.24	No	Yes	0	5	6
4	R:R:M49	R:R:M98	4.33	No	Yes	0	6	6
5	R:R:M49	R:R:W328	20.94	No	Yes	0	6	5
6	R:R:L50	R:R:M98	4.24	No	Yes	0	3	6
7	R:R:F332	R:R:L52	4.87	No	No	0	4	6
8	R:R:D53	R:R:M94	11.09	No	No	3	7	7
9	R:R:D53	R:R:P95	3.22	No	No	3	7	9
10	R:R:T335	R:R:T55	6.28	No	No	0	6	5
11	R:R:A56	R:R:T335	5.03	No	No	0	7	6
12	R:R:D86	R:R:N60	14.81	No	Yes	2	9	9
13	R:R:L87	R:R:N60	5.49	No	Yes	0	7	9
14	R:R:N60	R:R:P338	6.52	Yes	No	2	9	9
15	R:R:C83	R:R:V63	3.42	No	No	0	9	9
16	R:R:F80	R:R:I67	8.79	No	No	0	5	7
17	R:R:R74	R:R:T70	21.99	No	No	0	8	6
18	R:R:L73	R:R:P71	3.28	No	No	0	8	6
19	R:R:F76	R:R:L73	3.65	Yes	No	0	9	8
20	R:R:I348	R:R:L73	4.28	Yes	No	0	8	8
21	R:R:F76	R:R:K75	4.96	Yes	No	0	9	7
22	R:R:K75	R:R:Y143	3.58	No	No	0	7	8
23	R:R:F76	R:R:V79	3.93	Yes	No	0	9	8
24	R:R:F76	R:R:R140	5.34	Yes	No	0	9	9
25	R:R:F76	R:R:N345	3.62	Yes	No	0	9	9
26	R:R:E139	R:R:F78	4.66	No	No	0	9	8
27	R:R:I136	R:R:V79	4.61	No	No	0	9	8
28	R:R:F80	R:R:L84	7.31	No	No	0	5	5
29	R:R:H81	R:R:S132	8.37	No	No	0	9	8
30	R:R:H81	R:R:L163	9	No	No	0	9	7
31	R:R:H81	R:R:W167	5.29	No	No	0	9	9
32	R:R:I136	R:R:L82	4.28	No	No	0	9	9
33	R:R:L82	R:R:Y341	3.52	No	Yes	0	9	9
34	R:R:L128	R:R:V85	7.45	No	No	0	7	8
35	R:R:D86	R:R:F334	5.97	No	No	0	9	9
36	R:R:D86	R:R:P338	4.83	No	No	2	9	9
37	R:R:A89	R:R:F125	4.16	No	Yes	0	7	7
38	R:R:F125	R:R:T92	3.89	Yes	No	0	7	5
39	R:R:L93	R:R:Y118	4.69	No	Yes	4	8	6
40	R:R:L93	R:R:Y331	7.03	No	Yes	4	8	8
41	R:R:M94	R:R:P95	3.35	No	No	3	7	9
42	R:R:M94	R:R:W328	3.49	No	Yes	0	7	5
43	R:R:L96	R:R:Y118	8.21	No	Yes	0	4	6
44	R:R:A97	R:R:Y118	5.34	No	Yes	0	7	6
45	R:R:A97	R:R:W328	3.89	No	Yes	0	7	5
46	R:R:E112	R:R:R116	4.65	No	No	0	4	7
47	R:R:L117	R:R:L121	5.54	No	No	0	3	5
48	R:R:Y118	R:R:Y331	6.95	Yes	Yes	4	6	8
49	R:R:F120	R:R:L121	3.65	No	No	0	6	5
50	R:R:A174	R:R:F120	4.16	No	No	0	8	6
51	R:R:S122	R:R:Y331	6.36	No	Yes	0	8	8
52	R:R:A174	R:R:V123	3.39	No	No	0	8	7
53	R:R:C124	R:R:F125	4.19	No	Yes	0	5	7
54	R:R:A170	R:R:S127	3.42	No	No	0	8	7
55	R:R:S127	R:R:Y216	8.9	No	Yes	0	7	6
56	R:R:L128	R:R:W167	9.11	No	No	0	7	9
57	R:R:A170	R:R:L128	3.15	No	No	0	8	7
58	R:R:I130	R:R:Y216	8.46	Yes	Yes	0	8	6
59	R:R:I130	R:R:P220	3.39	Yes	Yes	1	8	9
60	R:R:F296	R:R:I130	3.77	Yes	Yes	1	9	8
61	R:R:I130	R:R:W300	10.57	Yes	No	1	8	8
62	R:R:L131	R:R:V166	8.94	No	No	0	6	6
63	R:R:L131	R:R:Y216	4.69	No	Yes	0	6	6
64	R:R:N337	R:R:V133	4.43	No	No	1	9	8
65	R:R:V133	R:R:Y341	8.83	No	Yes	1	8	9
66	R:R:P220	R:R:S134	3.56	Yes	No	0	9	6
67	R:R:I224	R:R:N137	5.66	No	No	1	8	8
68	R:R:N137	R:R:Y341	3.49	No	Yes	1	8	9
69	R:R:N137	W:W:?1	10.38	No	Yes	1	8	0
70	R:R:V138	R:R:Y142	6.31	No	No	0	6	5
71	R:R:L223	R:R:V138	4.47	No	No	0	6	6
72	R:R:E139	R:R:R140	8.14	No	No	0	9	9
73	R:R:E139	R:R:Y150	5.61	No	Yes	0	9	7
74	R:R:R140	W:W:?1	14.54	No	Yes	0	9	0
75	R:R:Y141	R:R:Y142	5.96	Yes	No	0	8	5
76	R:R:V145	R:R:Y141	11.36	No	Yes	0	6	8
77	R:R:V227	R:R:Y141	7.57	No	Yes	0	5	8
78	R:R:S230	R:R:Y141	8.9	No	Yes	0	5	8
79	R:R:R153	R:R:Y142	8.23	Yes	No	0	5	5
80	R:R:Y143	R:R:Y150	13.9	No	Yes	0	8	7
81	R:R:H146	R:R:V145	8.3	No	No	0	6	6
82	R:R:R153	R:R:Y150	5.14	Yes	Yes	0	5	7
83	R:R:L158	R:R:R153	4.86	No	Yes	0	6	5
84	R:R:F208	R:R:M173	6.22	No	No	0	8	6
85	R:R:F212	R:R:M173	3.73	No	No	0	6	6
86	R:R:P177	R:R:V176	7.07	No	No	5	6	6
87	R:R:F208	R:R:V176	9.18	No	No	5	8	6
88	R:R:F208	R:R:P177	5.78	No	No	5	8	6
89	R:R:L179	R:R:V178	4.47	No	No	0	4	6
90	R:R:L308	R:R:V210	4.47	No	No	0	5	5
91	R:R:F212	R:R:Y216	18.57	No	Yes	0	6	6
92	R:R:F212	R:R:F304	5.36	No	Yes	0	6	7
93	R:R:A213	R:R:F304	4.16	No	Yes	0	6	7
94	R:R:F217	R:R:F304	12.86	No	Yes	0	8	7
95	R:R:L219	R:R:P220	4.93	No	Yes	0	5	9
96	R:R:F296	R:R:P220	4.33	Yes	Yes	1	9	9
97	R:R:I224	W:W:?1	5.4	No	Yes	1	8	0
98	R:R:V227	W:W:?1	4.69	No	Yes	0	5	0
99	R:R:L289	R:R:Y228	14.07	No	No	0	8	9
100	R:R:Y228	W:W:?1	3.69	No	Yes	0	9	0
101	R:R:A285	R:R:M231	3.22	No	No	0	8	9
102	R:R:M231	W:W:?1	6.23	No	Yes	0	9	0
103	R:R:V288	W:W:?1	25.34	No	Yes	0	9	0
104	R:R:G293	R:R:V292	3.68	No	No	0	7	8
105	R:R:V292	W:W:?1	6.57	No	Yes	0	8	0
106	R:R:F296	R:R:Q295	3.51	Yes	Yes	1	9	6
107	R:R:N337	R:R:Q295	3.96	No	Yes	1	9	6
108	R:R:F340	R:R:Q295	4.68	No	Yes	0	8	6
109	R:R:Q295	R:R:Y341	6.76	Yes	Yes	1	6	9
110	R:R:F296	R:R:W300	17.04	Yes	No	1	9	8
111	R:R:L297	R:R:L301	4.15	No	No	0	5	6
112	R:R:C299	R:R:I329	3.27	Yes	No	0	8	7
113	R:R:C299	R:R:G330	3.92	Yes	No	0	8	7
114	R:R:C299	R:R:C333	7.28	Yes	No	0	8	9
115	R:R:L301	R:R:P302	3.28	No	No	0	6	9
116	R:R:F304	R:R:Y303	7.22	Yes	No	0	7	7
117	R:R:H307	R:R:Y303	16.33	No	No	0	6	7
118	R:R:T327	R:R:Y303	8.74	No	No	0	6	7
119	R:R:F306	R:R:V310	3.93	Yes	No	0	5	4
120	R:R:F306	R:R:V322	5.24	Yes	No	0	5	5
121	R:R:E323	R:R:F306	3.5	No	Yes	0	4	5
122	R:R:F306	R:R:V326	9.18	Yes	No	0	5	5
123	R:R:Q321	R:R:V322	4.3	No	No	0	2	5
124	R:R:S324	R:R:W328	4.94	No	Yes	0	5	5
125	R:R:T327	R:R:Y331	12.48	No	Yes	0	6	8
126	R:R:W328	R:R:Y331	4.82	Yes	Yes	0	5	8
127	R:R:C333	R:R:S336	5.16	No	No	0	9	5
128	R:R:F340	R:R:S336	5.28	No	No	0	8	5
129	R:R:N337	R:R:Y341	3.49	No	Yes	1	9	9
130	R:R:Y341	W:W:?1	5.17	Yes	Yes	1	9	0
131	R:R:G342	R:R:I348	3.53	No	Yes	0	7	8
132	R:R:C343	R:R:L344	3.17	No	No	0	5	7
133	R:R:L344	W:W:?1	11.34	No	Yes	0	7	0
134	R:R:I348	R:R:N345	8.5	Yes	No	0	8	9
135	R:R:N345	W:W:?1	8.65	No	Yes	0	9	0
136	R:R:L158	R:R:V162	2.98	No	No	0	6	6
137	R:R:L163	R:R:V159	2.98	No	No	0	7	7
138	R:R:L215	R:R:V211	2.98	No	No	0	5	3
139	R:R:A291	W:W:?1	2.98	No	Yes	0	7	0
140	R:R:L51	R:R:T55	2.95	No	No	0	4	5
141	R:R:L121	R:R:T92	2.95	No	No	0	5	5
142	R:R:E323	R:R:S324	2.87	No	No	0	4	5
143	R:R:A135	R:R:F78	2.77	No	No	0	7	8
144	R:R:A89	R:R:F334	2.77	No	No	0	7	9
145	R:R:A129	R:R:F334	2.77	No	No	0	9	9
146	R:R:L221	R:R:L225	2.77	No	No	0	6	4
147	R:R:F120	R:R:S175	2.64	No	No	0	6	5
148	R:R:R153	R:R:V152	2.62	Yes	No	0	5	5
149	R:R:F80	R:R:M64	2.49	No	No	0	5	7
150	R:R:V126	R:R:W300	2.45	No	No	0	7	8
151	R:R:F125	R:R:L88	2.44	Yes	No	0	7	7
152	R:R:L215	R:R:Y216	2.34	No	Yes	0	5	6
153	R:R:R346	W:W:?1	2.3	No	Yes	0	7	0
154	R:R:E151	R:R:Y150	2.24	No	Yes	0	5	7
155	R:R:G293	R:R:G294	2.11	No	No	0	7	5
156	R:R:A58	R:R:G59	1.95	No	No	0	3	9
157	R:R:C205	R:R:P177	1.88	No	No	0	6	6
158	R:R:G165	R:R:V164	1.84	No	No	0	1	2
159	R:R:G165	R:R:V168	1.84	No	No	0	1	3
160	R:R:A170	R:R:C124	1.81	No	No	0	8	5
161	R:R:A56	R:R:A90	1.79	No	No	2	7	7
162	R:R:P338	R:R:V63	1.77	No	No	0	9	9
163	R:R:P302	R:R:V326	1.77	No	No	0	9	5
164	R:R:P71	R:R:T70	1.75	No	No	0	6	6
165	R:R:C205	R:R:V209	1.71	No	No	0	6	6
166	R:R:A90	R:R:V57	1.7	No	No	0	7	6
167	R:R:A311	R:R:V209	1.7	No	No	0	6	6
168	R:R:K69	R:R:P71	1.67	No	No	0	6	6
169	R:R:A65	R:R:M64	1.61	No	No	0	4	7
170	R:R:V159	R:R:V77	1.6	No	No	0	7	4
171	R:R:V144	R:R:V145	1.6	No	No	0	8	6
172	R:R:V209	R:R:V210	1.6	No	No	0	6	5
173	R:R:V210	R:R:V214	1.6	No	No	0	5	3
174	R:R:C124	R:R:L171	1.59	No	No	0	5	3
175	R:R:C299	R:R:L298	1.59	Yes	No	0	8	4
176	R:R:A45	R:R:L46	1.58	No	No	0	5	5
177	R:R:A160	R:R:L156	1.58	No	No	0	3	4
178	R:R:A56	R:R:N60	1.56	No	Yes	2	7	9
179	R:R:A90	R:R:N60	1.56	No	Yes	2	7	9
180	R:R:I67	R:R:V66	1.54	No	No	0	7	7
181	R:R:I348	R:R:V66	1.54	Yes	No	0	8	7
182	R:R:I67	R:R:V79	1.54	No	No	0	7	8
183	R:R:I329	R:R:V325	1.54	No	No	0	7	4
184	R:R:H146	R:R:P147	1.53	No	No	0	6	9
185	R:R:L301	R:R:S305	1.5	No	No	0	6	5
186	R:R:L119	R:R:V123	1.49	No	No	0	5	7
187	R:R:L218	R:R:V214	1.49	No	No	0	5	3
188	R:R:L52	R:R:T55	1.47	No	No	0	6	5
189	R:R:L158	R:R:T155	1.47	No	No	0	6	8
190	R:R:I224	R:R:L225	1.43	No	No	0	8	4
191	R:R:L99	R:R:M98	1.41	No	Yes	0	5	6
192	R:R:C343	R:R:F339	1.4	No	No	0	5	6
193	R:R:D53	R:R:L54	1.36	No	No	0	7	4
194	R:R:K75	R:R:Q347	1.36	No	No	0	7	7
195	R:R:L207	R:R:Q206	1.33	No	No	0	3	4
196	R:R:R149	R:R:V152	1.31	No	No	0	5	5
197	R:R:L119	R:R:R116	1.21	No	No	0	5	7
198	R:R:V287	W:W:?1	0.94	No	Yes	0	7	0

Color	ConSurf Grade
	No Conservation data available
	1
	2
	3
	4
	5
	6
	7
	8
	9

Index: hub id, click on each number to highlight the corresponding hub in the 3D visualization.

Hub: the hub being considered.

Avg Int. Strength: the average interaction strength of all the links of the corresponding hub.

Num Of Links: the number of links of the corresponding hub.

Community: the id of the community the link belong to, otherwise 0.

ConSurf: this column reports the ConSurf conservation grades of each hub.

Index	Hub	Avg Int. Strength	Num Of Links	Community	ConSurf
1	R:R:N60	5.988	5	2	9
2	R:R:F76	4.3	5	0	9
3	R:R:M98	3.555	4	0	6
4	R:R:Y118	6.2975	4	4	6
5	R:R:F125	3.67	4	0	7
6	R:R:I130	6.5475	4	1	8
7	R:R:Y141	8.4475	4	0	8
8	R:R:Y150	6.7225	4	0	7
9	R:R:R153	5.2125	4	0	5
10	R:R:Y216	8.592	5	0	6
11	R:R:P220	4.0525	4	1	9
12	R:R:Q295	4.7275	4	1	6
13	R:R:F296	7.1625	4	1	9
14	R:R:C299	4.015	4	0	8
15	R:R:F304	7.4	4	0	7
16	R:R:F306	5.4625	4	0	5
17	R:R:W328	7.616	5	0	5
18	R:R:Y331	7.528	5	4	8
19	R:R:Y341	5.21	6	1	9
20	R:R:I348	4.4625	4	0	8
21	W:W:?1	7.73	14	1	0

Color	ConSurf Grade
	No Conservation data available
	1
	2
	3
	4
	5
	6
	7
	8
	9

Index: link id, click on each number to highlight the corresponding link in the 3D visualization.

Node1 Node2: the two nodes of the corresponding link.

Recurrence: the relative Recurrence in the pool of shortest paths.

Int. Strength: the interaction strength between the two nodes.

Hub1?, Hub2?: "Yes" if the corresponding node has more than 3 links, otherwise "No".

Community: the id of the community the link belong to, otherwise 0.

ConSurf1, ConSurf2: these columns report the ConSurf conservation grades of the two nodes involved in a link.

Index	Node1	Node2	Recurrence	Int. Strength	Hub1?	Hub2?	Community	ConSurf1	ConSurf2
1	R:R:M49	R:R:W328	11.5339	20.94	No	Yes	0	6	5
2	R:R:A56	R:R:T335	10.3581	5.03	No	No	0	7	6
3	R:R:A56	R:R:N60	12.2394	1.56	No	Yes	2	7	9
4	R:R:D86	R:R:N60	19.8717	14.81	No	Yes	2	9	9
5	R:R:D86	R:R:F334	27.675	5.97	No	No	0	9	9
6	R:R:A89	R:R:F334	31.2881	2.77	No	No	0	7	9
7	R:R:A89	R:R:F125	33.0625	4.16	No	Yes	0	7	7
8	R:R:C124	R:R:F125	51.1384	4.19	No	Yes	0	5	7
9	R:R:A170	R:R:C124	54.1101	1.81	No	No	0	8	5
10	R:R:A170	R:R:S127	66.4244	3.42	No	No	0	8	7
11	R:R:S127	R:R:Y216	67.5254	8.9	No	Yes	0	7	6
12	R:R:F212	R:R:Y216	71.6195	18.57	No	Yes	0	6	6
13	R:R:F212	R:R:F304	57.2956	5.36	No	Yes	0	6	7
14	R:R:F304	R:R:Y303	53.3298	7.22	Yes	No	0	7	7
15	R:R:T327	R:R:Y303	50.2833	8.74	No	No	0	6	7
16	R:R:T327	R:R:Y331	49.0967	12.48	No	Yes	0	6	8
17	R:R:W328	R:R:Y331	41.3683	4.82	Yes	Yes	0	5	8
18	R:R:F80	R:R:I67	10.5184	8.79	No	No	0	5	7
19	R:R:I67	R:R:V79	10.9888	1.54	No	No	0	7	8
20	R:R:Q295	R:R:Y341	96.5045	6.76	Yes	Yes	1	6	9
21	R:R:F296	R:R:Q295	99.861	3.51	Yes	Yes	1	9	6
22	R:R:F296	R:R:I130	95.1256	3.77	Yes	Yes	1	9	8
23	R:R:I130	R:R:Y216	100	8.46	Yes	Yes	0	8	6
24	R:R:Y341	W:W:?1	83.9123	5.17	Yes	Yes	1	9	0
25	R:R:R140	W:W:?1	31.9829	14.54	No	Yes	0	9	0
26	R:R:F76	R:R:R140	17.2742	5.34	Yes	No	0	9	9
27	R:R:F76	R:R:L73	17.9583	3.65	Yes	No	0	9	8
28	R:R:L73	R:R:P71	20.171	3.28	No	No	0	8	6
29	R:R:P71	R:R:T70	10.1229	1.75	No	No	0	6	6
30	R:R:N345	W:W:?1	29.9947	8.65	No	Yes	0	9	0
31	R:R:F76	R:R:N345	15.4784	3.62	Yes	No	0	9	9
32	R:R:I348	R:R:N345	15.0401	8.5	Yes	No	0	8	9
33	R:R:F76	R:R:K75	10.8071	4.96	Yes	No	0	9	7
34	R:R:E139	R:R:R140	19.4762	8.14	No	No	0	9	9
35	R:R:E139	R:R:Y150	15.3928	5.61	No	Yes	0	9	7
36	R:R:H81	R:R:W167	10.3474	5.29	No	No	0	9	9
37	R:R:L128	R:R:W167	12.3677	9.11	No	No	0	7	9
38	R:R:A170	R:R:L128	16.3228	3.15	No	No	0	8	7
39	R:R:F125	R:R:T92	18.5997	3.89	Yes	No	0	7	5
40	R:R:F120	R:R:L121	13.8963	3.65	No	No	0	6	5
41	R:R:L121	R:R:T92	17.0497	2.95	No	No	0	5	5
42	R:R:V227	W:W:?1	26.2854	4.69	No	Yes	0	5	0
43	R:R:V227	R:R:Y141	25.024	7.57	No	Yes	0	5	8
44	R:R:Y141	R:R:Y142	14.9653	5.96	Yes	No	0	8	5
45	R:R:R153	R:R:Y150	13.458	5.14	Yes	Yes	0	5	7
46	R:R:R153	R:R:Y142	10.3902	8.23	Yes	No	0	5	5
47	R:R:L158	R:R:R153	10.7643	4.86	No	Yes	0	6	5
48	R:R:F208	R:R:M173	19.4869	6.22	No	No	0	8	6
49	R:R:F212	R:R:M173	20.9727	3.73	No	No	0	6	6
50	R:R:F208	R:R:P177	15.5425	5.78	No	No	5	8	6
51	R:R:C205	R:R:V209	11.6729	1.71	No	No	0	6	6
52	R:R:C205	R:R:P177	13.6505	1.88	No	No	0	6	6
53	R:R:F340	R:R:Q295	15.5959	4.68	No	Yes	0	8	6
54	R:R:F306	R:R:V326	10.3795	9.18	Yes	No	0	5	5
55	R:R:E323	R:R:F306	18.2362	3.5	No	Yes	0	4	5
56	R:R:E323	R:R:S324	20.1924	2.87	No	No	0	4	5
57	R:R:S324	R:R:W328	22.1058	4.94	No	Yes	0	5	5
58	R:R:C333	R:R:S336	11.9188	5.16	No	No	0	9	5
59	R:R:F340	R:R:S336	13.907	5.28	No	No	0	8	5

Download PSN data

2D representation of the global metapath, ligand(s) interactions and
histograms of path distribution according to several parameters
(click on the image to enlarge it 🔍):

A 2D representation of the global communication in the network.

ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

Number of shortest communication paths as a function of the average residue correlation.

Number of shortest communication paths as a function of the average interaction strength of their links.

Number of shortest communication paths as a function of the % of hub nodes in each path.

Number of shortest communication paths as a function of the number of nodes in each path.

Number of shortest communication paths as a function of the % of correlated nodes in each path.

2D representation of the interactions of this orthosteric/allosteric ligand.

Links and nodes colored according to ConSurf Conservation Grade (See documentation):

n/a 1 2 3 4 5 6 7 8 9

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:F76	R:R:R140	5.34	0	Yes	No	9	9	2	1
R:R:F76	R:R:N345	3.62	0	Yes	No	9	9	2	1
R:R:L82	R:R:Y341	3.52	0	No	Yes	9	9	2	1
R:R:N337	R:R:V133	4.43	1	No	No	9	8	2	2
R:R:V133	R:R:Y341	8.83	1	No	Yes	8	9	2	1
R:R:I224	R:R:N137	5.66	1	No	No	8	8	1	1
R:R:N137	R:R:Y341	3.49	1	No	Yes	8	9	1	1
R:R:N137	W:W:?1	10.38	1	No	Yes	8	0	1	0
R:R:E139	R:R:R140	8.14	0	No	No	9	9	2	1
R:R:R140	W:W:?1	14.54	0	No	Yes	9	0	1	0
R:R:V227	R:R:Y141	7.57	0	No	Yes	5	8	1	2
R:R:I224	W:W:?1	5.4	1	No	Yes	8	0	1	0
R:R:V227	W:W:?1	4.69	0	No	Yes	5	0	1	0
R:R:L289	R:R:Y228	14.07	0	No	No	8	9	2	1
R:R:Y228	W:W:?1	3.69	0	No	Yes	9	0	1	0
R:R:A285	R:R:M231	3.22	0	No	No	8	9	2	1
R:R:M231	W:W:?1	6.23	0	No	Yes	9	0	1	0
R:R:V288	W:W:?1	25.34	0	No	Yes	9	0	1	0
R:R:G293	R:R:V292	3.68	0	No	No	7	8	2	1
R:R:V292	W:W:?1	6.57	0	No	Yes	8	0	1	0
R:R:N337	R:R:Q295	3.96	1	No	Yes	9	6	2	2
R:R:Q295	R:R:Y341	6.76	1	Yes	Yes	6	9	2	1
R:R:N337	R:R:Y341	3.49	1	No	Yes	9	9	2	1
R:R:Y341	W:W:?1	5.17	1	Yes	Yes	9	0	1	0
R:R:C343	R:R:L344	3.17	0	No	No	5	7	2	1
R:R:L344	W:W:?1	11.34	0	No	Yes	7	0	1	0
R:R:I348	R:R:N345	8.5	0	Yes	No	8	9	2	1
R:R:N345	W:W:?1	8.65	0	No	Yes	9	0	1	0
R:R:A291	W:W:?1	2.98	0	No	Yes	7	0	1	0
R:R:R346	W:W:?1	2.3	0	No	Yes	7	0	1	0
R:R:I224	R:R:L225	1.43	1	No	No	8	4	1	2
R:R:V287	W:W:?1	0.94	0	No	Yes	7	0	1	0

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Similarities between the interactions of this ligand and those of other networks

Similarity	Network Type	Name	Ligand	Description
36.84	Single	5XF1	NNC0640	5XF1-Glucagon-NNC0640
29.41	Single	5VEX	NNC0640	5VEX-GLP-1-NNC0640
29.41	Single	6KK7	PubChem 68178630	6KK7-GLP-1-PubChem 68178630
28.57	Single	6LN2	PubChem 68178630	6LN2-GLP-1-PubChem 68178630
27.78	Single	6KJV	PubChem 68178630	6KJV-GLP-1-PubChem 68178630
27.78	Consensus	nts1_on_allo	Other Ligand	8JPB-NTS₁-Neurotensin 8-13-PubChem 118610427; GDP; Mg-Gq; GRK2
26.32	Single	5VEW	PF-06372222	5VEW-GLP-1-PF-06372222
25.00	Single	5XEZ	NNC0640	5XEZ-Glucagon-NNC0640
25.00	Single	8JPF	PubChem 118610427	8JPF-NTS₁-Neurotensin-PubChem 118610427
22.73	Single	8JPB	PubChem 118610427; GDP; Mg	8JPB-NTS₁-Neurotensin 8-13-PubChem 118610427; GDP; Mg-Gq; GRK2
22.22	Single	7CA3	rac-BHFF	7CA3-GABA_B1, GABA_B2-rac-BHFF
21.74	Single	5LWE	Vercirnon	5LWE-CCR9-Vercirnon
21.74	Consensus	ccr9_off_allo	Other Ligand	5LWE-CCR9-Vercirnon
21.05	Single	6KK1	PubChem 68178630	6KK1-GLP-1-PubChem 68178630
21.05	Single	7C7Q	PubChem 7023848	7C7Q-GABA_B1, GABA_B2-Baclofen-PubChem 7023848
18.18	Single	8FN0	PubChem 118610427	8FN0-NTS₁-Neurotensin/neuromedin N-PubChem 118610427-chim(NtGi1-Go)/&β;1/&γ;2
18.18	Single	8JPC	PubChem 118610427; GDP; Mg	8JPC-NTS₁-Neurotensin 8-13-PubChem 118610427; GDP; Mg-Gq; GRK2
18.18	Consensus	ffa3_on_allo	Other Ligand	8J20-FFA3-Valeric acid-AR420626-Gi1/&β;1/&γ;2
17.65	Single	7EB2	rac-BHFF	7EB2-GABA_B1, GABA_B2-Baclofen-rac-BHFF-Gi1/&β;1/&γ;2
17.65	Consensus	class-c_on	Other Ligand	gabab_on mglu_on
17.65	Consensus	gabab_on	Other Ligand	7EB2-GABA_B1, GABA_B2-Baclofen-rac-BHFF-Gi1/&β;1/&γ;2
17.65	Consensus	gi_class-c	Other Ligand	gi_mglu gi_gaba
17.39	Single	8J20	AR420626	8J20-FFA3-Valeric acid-AR420626-Gi1/&β;1/&γ;2
16.67	Consensus	gi_gaba	Other Ligand	7EB2-GABA_B1, GABA_B2-Baclofen-rac-BHFF-Gi1/&β;1/&γ;2
15.79	Single	5T1A	PubChem 68764898; PubChem 12093170	5T1A-CCR2-PubChem 68764898; PubChem 12093170
14.29	Single	5X7D	PubChem 129318963	5X7D-β₂-(S)-Carazolol-PubChem 129318963
13.64	Single	4Z9G	CP-376395	4Z9G-CRF₁-CP-376395
13.04	Single	6LFL	PubChem 153466996	6LFL-CXCR2-PubChem 153466996
13.04	Single	8GTG	BMK-I152	8GTG-CRF₁-BMK-I152
13.04	Single	8GW8	KHF	8GW8-PTH1-KHF-Gs/&β;1/&γ;2
12.50	Single	4PXF	Octyl Beta-D-Glucopyranoside	4PXF-Rhodopsin-Octyl Beta-D-Glucopyranoside-Arrestin1_Finger_loop
11.76	Consensus	ccr2_off_allo	Other Ligand	5T1A-CCR2-PubChem 68764898; PubChem 12093170 6GPX-CCR2-MK0812
11.54	Single	8JD3	HZR; PEF	8JD3-mGlu2; mGlu3-Glutamate-HZR; PEF-Gi1/&β;1/&γ;2
9.52	Single	4K5Y	CP-376395	4K5Y-CRF₁-CP-376395
9.52	Single	8HNN	SCH546738	8HNN-CXCR3-SCH546738
8.70	Single	6QZH	HY-133073; Na	6QZH-CCR7-HY-133073; Na
8.70	Single	8GTI	BMK-C205	8GTI-CRF₁-BMK-C205
8.70	Single	8JR9	PCO371	8JR9-PTH1-PCO371-chim(NtGi1-Gs)/&β;1/&γ;2
8.70	Consensus	ccr7_off_allo	Other Ligand	6QZH-CCR7-HY-133073; Na
7.69	Single	8GTM	BMK-C203	8GTM-CRF₁-BMK-C203
7.69	Single	8JD5	BQI; HZE; PEF	8JD5-mGlu2; mGlu4-Glutamate-BQI; HZE; PEF-Gi1/&β;1/&γ;2
7.14	Single	8SZG	Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW	8SZG-CaS-Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW-chim(NtGi1-Gq)/&β;1/&γ;2
6.90	Single	8SZI	Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW	8SZI-CaS-Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW-Gi3/&β;1/&γ;2
6.67	Single	8SZH	Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW	8SZH-CaS-Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW-Gi1/&β;1/&γ;2
5.88	Single	3VG9	Antibody	3VG9-A_2A-ZM241385-Antibody
5.88	Single	6UO8	GS39783	6UO8-GABA_B1, GABA_B2-SKF97541-GS39783
5.88	Single	7DUQ	PubChem 156022738	7DUQ-GLP-1-GLP-1-PubChem 156022738-Gs/&β;1/&γ;2
5.56	Single	3VGA	Antibody	3VGA-A_2A-ZM241385-Antibody
5.56	Single	7TYW	Calcitonin-1	7TYW-CT (AMY1)-Calcitonin-1-Gs/&β;1/&γ;2; RAMP1
5.41	Single	7TYF	Amylin	7TYF-CT (AMY1)-Amylin-Gs/&β;1/&γ;2; RAMP1
5.41	Single	7TYL	Amylin	7TYL-CT-Amylin-Gs/&β;1/&γ;2
5.41	Single	7TYN	Calcitonin-1	7TYN-CT-Calcitonin-1-Gs/&β;1/&γ;2
5.41	Single	7TYX	Amylin	7TYX-CT (AMY2)-Amylin-Gs/&β;1/&γ;2; RAMP2
4.76	Single	8F2A	Pramlintide analogue san385	8F2A-CT (AMY3)-Pramlintide analogue san385-Gs/&β;1/&γ;2; RAMP3
4.55	Single	7TYO	Calcitonin	7TYO-CT-Calcitonin-Gs/&β;1/&γ;2
4.44	Single	8F2B	Pramlintide analogue san45	8F2B-CT (AMY3)-Pramlintide analogue san45-Gs/&β;1/&γ;2; RAMP3
4.44	Consensus	gs_ct	Orthosteric Ligand	7TYN-CT-Calcitonin-1-Gs/&β;1/&γ;2 6NIY-CT-Adrenomedullin-Gs/&β;1/&γ;2 8F0J-CT-Pramlintide analogue san45-Gs/&β;1/&γ;2 7TYL-CT-Amylin-Gs/&β;1/&γ;2 8F0K-CT (AMY3)-Pramlintide analogue san385-Gs/&β;1/&γ;2; RAMP3
4.26	Single	8F0J	Pramlintide analogue san45	8F0J-CT-Pramlintide analogue san45-Gs/&β;1/&γ;2
4.17	Single	6C1R	Avacopan; Na	6C1R-C5a₁-PMX53-Avacopan; Na
4.17	Single	7RBT	PubChem 163183774	7RBT-GIP-Tirzepatide-PubChem 163183774-chim(NtGi1-Gs)/&β;1/&γ;2
4.17	Consensus	c5a1_off_ortoallo	Other Ligand	6C1Q-C5a₁-PMX53-NDT9513727 6C1R-C5a₁-PMX53-Avacopan; Na
2.63	Single	7TYI	Amylin	7TYI-CT-Amylin-Gs/&β;1/&γ;2
2.56	Single	7TYH	Calcitonin-1	7TYH-CT (AMY2)-Calcitonin-1-Gs/&β;1/&γ;2; RAMP2
2.50	Single	7TZF	Amylin	7TZF-CT (AMY3)-Amylin-Gs/&β;1/&γ;2; RAMP3
2.50	Single	8F0K	Pramlintide analogue san385	8F0K-CT (AMY3)-Pramlintide analogue san385-Gs/&β;1/&γ;2; RAMP3
2.44	Single	7TYY	Calcitonin-1	7TYY-CT (AMY2)-Calcitonin-1-Gs/&β;1/&γ;2; RAMP2
2.44	Single	9AUC	Calcitonin gene-related peptide-1	9AUC-CT-Calcitonin gene-related peptide-1-Gs/&β;1/&γ;2; RAMP1

PDB Summary
PDB	8TB7
Class	A
SubFamily	Orphan
Type	A orphans
SubType	GPR61
Species	Homo Sapiens
Ligand	-
Other Ligand(s)	PubChem 168510218
Protein Partners	-
PDB Resolution	2.94
Date	2023-10-04
D.O.I.	10.1038/s41467-023-41646-3

Net Summary
I_min	3.15
Number of Linked Nodes	187
Number of Links	198
Number of Hubs	21
Number of Links mediated by Hubs	91
Number of Communities	5
Number of Nodes involved in Communities	25
Number of Links involved in Communities	31

Path Summary
Number Of Nodes in MetaPath	60
Number Of Links MetaPath	59
Number of Shortest Paths	17832
Length Of Smallest Path	3
Average Path Length	12.7915
Length of Longest Path	27
Minimum Path Strength	1.35
Average Path Strength	6.05476
Maximum Path Strength	17.86
Minimum Path Correlation	0.7
Average Path Correlation	0.907106
Maximum Path Correlation	0.98
Minimum % Of Corr. Nodes	5
Average % Of Corr. Nodes	35.8805
Maximum % Of Corr. Nodes	100
Minimum Path Hubs %	0
Average Path Hubs %	41.1778
Maximum Path Hubs %	100

Annotation	Type	Links
Gene Ontology	Molecular Function
Gene Ontology	Biological Process
Gene Ontology	Cellular Component
SCOP2	Domain Identifier
SCOP2	Family Identifier
Membrane Protein Annotations	-	• Orientations of Proteins in Membranes database (OPM) • Protein Data Bank of Transmembrane Proteins (PDBTM) • MemProtMD

Details about the values in these tables can be found in the corresponding documentation page .


Code	ZOB
PDB Residues	W:W:?1
Environment Details	Open EMBL-EBI Page
Code	ZOB
Name	6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide
Synonyms
Identifier	6-[[3,5-bis(fluoranyl)pyridin-4-yl]methylamino]-~{N}-(4-ethoxy-6-methyl-pyrimidin-2-yl)-2-methoxy-~{N}-(2-methoxyethyl)pyridine-3-sulfonamide
Formula	C22 H26 F2 N6 O5 S
Molecular Weight	524.541
SMILES	CCOc1cc(nc(n1)N(CCOC)S(=O)(=O)c2ccc(nc2OC)NCc3c(cncc3F)F)C
PubChem	168510218
Formal Charge	0
Total Atoms	62
Total Chiral Atoms	0
Total Bonds	64
Total Aromatic Bonds	18


PDBsum	Open PDBsum Page
Chain	R
Protein	Receptor
UniProt	Q9BZJ8
Sequence	>8TB7_Chain_R S V A L F F M L L L D L T A V A G N A A V M A V I A K T P A L R K F V F V F H L C L V D L L A A L T L M P L A M L G E V A C R L Y L F L S V C F V S L A I L S V S A I N V E R Y Y Y V V H P M R Y E V R M T L G L V A S V L V G V W V K A L A M A S V P V L C Q L F V V V F A V L Y F L L P L L L I L V V Y C S M F R K A A V V L L A V G G Q F L L C W L P Y F S F H L Y V A Q V E S V V T W I G Y F C F T S N P F F Y G C L N R Q I R G Click on each residue to open a popup with some information about it. ConSurf Conservation Grade (See documentation): n/a 1 2 3 4 5 6 7 8 9

This receptor, from the same or other species and bound to the same or other ligands, is also present in the following networks:
Show	PDB	Class	SubFamily	Type	SubType	Species	Orthosteric Ligand	Other Ligand(s)	Protein Partners	Resolution	Date	DOI
	8KGK	A	Orphan	A orphans	GPR61	Homo sapiens	-	-	Gs/&β;1/&γ;2	3.16	2023-10-11	10.1038/s41467-023-41654-3
	8TB0	A	Orphan	A orphans	GPR61	Homo sapiens	-	-	chim(NtGi1-Gs)/&β;1/&γ;2	3.47	2023-10-04	10.1038/s41467-023-41646-3
	8TB7	A	Orphan	A orphans	GPR61	Homo sapiens	-	PubChem 168510218	-	2.94	2023-10-04	10.1038/s41467-023-41646-3

You can download a compressed (zip) file with structure(s), 3D outputs (as PyMol and VMD scripts) and numerical data files (as csv and plain text files).

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