psnGPCR

Code	UK4
Name	PF-06882961
Synonyms	PF-06882961
Identifier	2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]piperidin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
Formula	C31 H30 F N5 O4
Molecular Weight	555.599
SMILES	c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H]6CCO6)C(=O)O
PubChem	134611040
Formal Charge	0
Total Atoms	71
Total Chiral Atoms	1
Total Bonds	76
Total Aromatic Bonds	22
Networks	4

This ligand is also present in the following 4 networks:

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

6X1A

Peptide

Glucagon

GLP-1

Homo sapiens

Danuglipron

Gs/Beta1/Gamma2

2.5

2020-09-09

10.1016/j.molcel.2020.09.020

A 2D representation of the interactions of UK4 in 6X1A
colored according to ConSurf Conservation Grade (See documentation):

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

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:L32	R:R:V36	2.98	1	No	Yes	4	2	1	1
R:R:L32	R:R:W214	3.42	1	No	Yes	4	1	1	2
L:L:?1	R:R:L32	8.07	1	Yes	No	0	4	0	1
R:R:E34	R:R:W33	5.45	0	Yes	Yes	4	3	2	1
R:R:Q37	R:R:W33	13.14	0	No	Yes	4	3	2	1
R:R:Q221	R:R:W33	8.76	1	Yes	Yes	4	3	1	1
R:R:F381	R:R:W33	16.04	1	No	Yes	4	3	1	1
L:L:?1	R:R:W33	15.94	1	Yes	Yes	0	3	0	1
R:R:E34	R:R:G377	3.27	0	Yes	No	4	4	2	2
R:R:V36	R:R:W214	7.36	1	Yes	Yes	2	1	1	2
R:R:L218	R:R:V36	4.47	0	No	Yes	3	2	2	1
L:L:?1	R:R:V36	6.95	1	Yes	Yes	0	2	0	1
R:R:F385	R:R:L141	4.87	1	Yes	No	6	5	1	2
R:R:F385	R:R:L144	3.65	1	Yes	No	6	6	1	2
R:R:Y145	R:R:Y148	6.95	1	Yes	Yes	5	7	2	2
R:R:D198	R:R:Y145	10.34	1	Yes	Yes	7	5	2	2
R:R:W203	R:R:Y145	4.82	1	Yes	Yes	3	5	1	2
R:R:M204	R:R:Y145	17.96	1	No	Yes	3	5	2	2
R:R:D198	R:R:Y148	5.75	1	Yes	Yes	7	7	2	2
R:R:F385	R:R:Y148	9.28	1	Yes	Yes	6	7	1	2
R:R:D198	R:R:K197	8.3	1	Yes	Yes	7	6	2	1
R:R:K197	R:R:V229	3.04	0	Yes	No	6	7	1	2
R:R:K197	R:R:M233	7.2	0	Yes	No	6	6	1	2
L:L:?1	R:R:K197	10.69	1	Yes	Yes	0	6	0	1
R:R:D198	R:R:W203	6.7	1	Yes	Yes	7	3	2	1
R:R:L201	R:R:Y220	5.86	0	No	No	7	3	1	2
L:L:?1	R:R:L201	3.23	1	Yes	No	0	7	0	1
R:R:M204	R:R:W203	13.96	1	No	Yes	3	3	2	1
R:R:F385	R:R:W203	3.01	1	Yes	Yes	6	3	1	1
L:L:?1	R:R:W203	17.27	1	Yes	Yes	0	3	0	1
R:R:L217	R:R:S206	3	0	No	No	4	4	1	2
L:L:?1	R:R:L217	12.11	1	Yes	No	0	4	0	1
R:R:C226	R:R:Q221	3.05	1	No	Yes	9	4	2	1
R:R:C296	R:R:Q221	4.58	1	No	Yes	9	4	1	1
L:L:?1	R:R:Q221	7.76	1	Yes	Yes	0	4	0	1
R:R:C226	R:R:C296	7.28	1	No	No	9	9	2	1
R:R:F230	R:R:Q234	10.54	1	No	No	5	7	1	2
R:R:F230	R:R:W284	3.01	1	No	Yes	5	8	1	2
L:L:?1	R:R:F230	13.49	1	Yes	No	0	5	0	1
R:R:Q234	R:R:W284	3.29	1	No	Yes	7	8	2	2
L:L:?1	R:R:C296	4.63	1	Yes	No	0	9	0	1
L:L:?1	R:R:T298	3.44	1	Yes	No	0	5	0	1
R:R:R299	R:R:R380	17.06	22	Yes	Yes	4	5	2	1
R:R:M371	R:R:R380	6.2	0	No	Yes	7	5	2	1
R:R:F381	R:R:G377	3.01	1	No	No	4	4	1	2
R:R:L384	R:R:R380	6.07	0	No	Yes	5	5	2	1
L:L:?1	R:R:R380	9.92	1	Yes	Yes	0	5	0	1
L:L:?1	R:R:F381	15.62	1	Yes	No	0	4	0	1
R:R:F385	R:R:L384	3.65	1	Yes	No	6	5	1	2
L:L:?1	R:R:F385	4.97	1	Yes	Yes	0	6	0	1

Statistics	Value
Average Number Of Links	14.00
Average Number Of Links With An Hub	7.00
Average Interaction Strength	9.58
Average Nodes In Shell	36.00
Average Hubs In Shell	15.00
Average Links In Shell	50.00
Average Links Mediated by Hubs In Shell	45.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

7LCI

Peptide

Glucagon

GLP-1

Homo sapiens

Danuglipron

Gs/Beta1/Gamma2

2.9

2021-01-20

10.1016/j.str.2021.04.008

A 2D representation of the interactions of UK4 in 7LCI
colored according to ConSurf Conservation Grade (See documentation):

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

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:P137	R:R:S31	3.56	3	No	Yes	3	4	2	1
R:R:E138	R:R:S31	7.19	0	No	Yes	2	4	2	1
R:R:S31	R:R:T378	9.59	3	Yes	No	4	2	1	2
L:L:?2	R:R:S31	4.38	3	Yes	Yes	0	4	0	1
R:R:L32	R:R:W214	3.42	0	No	Yes	4	1	1	2
L:L:?2	R:R:L32	8.07	3	Yes	No	0	4	0	1
R:R:E34	R:R:W33	4.36	0	Yes	Yes	4	3	2	1
R:R:Q37	R:R:W33	12.05	0	No	Yes	4	3	2	1
R:R:Q221	R:R:W33	6.57	3	No	Yes	4	3	1	1
R:R:F381	R:R:W33	16.04	3	No	Yes	4	3	1	1
L:L:?2	R:R:W33	11.95	3	Yes	Yes	0	3	0	1
R:R:E34	R:R:T378	8.47	0	Yes	No	4	2	2	2
R:R:V36	R:R:W214	8.58	0	No	Yes	2	1	1	2
R:R:L218	R:R:V36	4.47	0	No	No	3	2	2	1
L:L:?2	R:R:V36	5.21	3	Yes	No	0	2	0	1
R:R:L218	R:R:Q37	3.99	0	No	No	3	4	2	2
R:R:P137	R:R:T378	3.5	3	No	No	3	2	2	2
R:R:L142	R:R:W203	4.56	0	No	Yes	3	3	2	1
R:R:D198	R:R:Y145	12.64	3	Yes	Yes	7	5	2	2
R:R:W203	R:R:Y145	7.72	3	Yes	Yes	3	5	1	2
R:R:M204	R:R:Y145	17.96	3	No	Yes	3	5	2	2
R:R:D198	R:R:K197	8.3	3	Yes	Yes	7	6	2	1
R:R:K197	R:R:M233	8.64	0	Yes	No	6	6	1	2
L:L:?2	R:R:K197	9.87	3	Yes	Yes	0	6	0	1
R:R:D198	R:R:W203	6.7	3	Yes	Yes	7	3	2	1
R:R:L201	R:R:Y220	7.03	0	No	Yes	7	3	1	2
L:L:?2	R:R:L201	4.84	3	Yes	No	0	7	0	1
R:R:M204	R:R:W203	6.98	3	No	Yes	3	3	2	1
L:L:?2	R:R:W203	17.93	3	Yes	Yes	0	3	0	1
R:R:L217	R:R:S206	4.5	0	No	No	4	4	1	2
L:L:?2	R:R:L217	12.11	3	Yes	No	0	4	0	1
R:R:C226	R:R:Y220	8.06	0	No	Yes	9	3	2	2
R:R:C296	R:R:Q221	6.1	3	No	No	9	4	1	1
L:L:?2	R:R:Q221	10.09	3	Yes	No	0	4	0	1
R:R:C226	R:R:C296	7.28	0	No	No	9	9	2	1
R:R:F230	R:R:Q234	16.4	0	No	No	5	7	1	2
L:L:?2	R:R:F230	13.49	3	Yes	No	0	5	0	1
L:L:?2	R:R:C296	5.55	3	Yes	No	0	9	0	1
R:R:R299	R:R:R380	22.39	3	Yes	No	4	5	2	1
R:R:L384	R:R:R380	9.72	3	No	No	5	5	1	1
L:L:?2	R:R:R380	7.79	3	Yes	No	0	5	0	1
L:L:?2	R:R:F381	14.2	3	Yes	No	0	4	0	1
L:L:?2	R:R:L384	4.04	3	Yes	No	0	5	0	1
R:R:K197	R:R:V229	3.04	0	Yes	No	6	7	1	2
R:R:F230	R:R:W284	3.01	0	No	Yes	5	8	1	2
L:L:?2	R:R:T298	2.58	3	Yes	No	0	5	0	1

Statistics	Value
Average Number Of Links	15.00
Average Number Of Links With An Hub	4.00
Average Interaction Strength	8.81
Average Nodes In Shell	35.00
Average Hubs In Shell	12.00
Average Links In Shell	46.00
Average Links Mediated by Hubs In Shell	38.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

7LCJ

Peptide

Glucagon

GLP-1

Homo sapiens

Danuglipron

2.82

2021-01-20

10.1016/j.str.2021.04.008

A 2D representation of the interactions of UK4 in 7LCJ
colored according to ConSurf Conservation Grade (See documentation):

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

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:E138	R:R:S31	10.06	6	No	No	2	4	2	1
R:R:S31	R:R:T378	4.8	0	No	No	4	2	1	2
L:L:?1	R:R:S31	3.5	2	Yes	No	0	4	0	1
R:R:L32	R:R:W214	7.97	0	No	Yes	4	1	1	2
L:L:?1	R:R:L32	7.26	2	Yes	No	0	4	0	1
R:R:E34	R:R:W33	4.36	0	No	Yes	4	3	2	1
R:R:Q37	R:R:W33	14.24	0	No	Yes	4	3	2	1
R:R:Q221	R:R:W33	6.57	2	No	Yes	4	3	1	1
R:R:F381	R:R:W33	10.02	2	No	Yes	4	3	1	1
L:L:?1	R:R:W33	13.28	2	Yes	Yes	0	3	0	1
R:R:E34	R:R:T378	8.47	0	No	No	4	2	2	2
R:R:V36	R:R:W214	9.81	0	No	Yes	2	1	1	2
R:R:L218	R:R:V36	4.47	0	No	No	3	2	2	1
L:L:?1	R:R:V36	5.21	2	Yes	No	0	2	0	1
R:R:L142	R:R:W203	4.56	0	No	Yes	3	3	2	1
R:R:L142	R:R:T207	7.37	0	No	No	3	3	2	1
R:R:D198	R:R:Y145	8.05	2	Yes	Yes	7	5	2	2
R:R:W203	R:R:Y145	8.68	2	Yes	Yes	3	5	1	2
R:R:M204	R:R:Y145	5.99	2	No	Yes	3	5	2	2
R:R:D198	R:R:K197	9.68	2	Yes	No	7	6	2	1
R:R:K197	R:R:L201	4.23	2	No	Yes	6	7	1	1
L:L:?1	R:R:K197	9.04	2	Yes	No	0	6	0	1
R:R:D198	R:R:W203	5.58	2	Yes	Yes	7	3	2	1
R:R:L201	R:R:W203	4.56	2	Yes	Yes	7	3	1	1
R:R:L201	R:R:Y220	5.86	2	Yes	Yes	7	3	1	2
L:L:?1	R:R:L201	4.04	2	Yes	Yes	0	7	0	1
R:R:M204	R:R:W203	5.82	2	No	Yes	3	3	2	1
L:L:?1	R:R:W203	11.95	2	Yes	Yes	0	3	0	1
R:R:L217	R:R:S206	6.01	0	No	No	4	4	1	2
L:L:?1	R:R:T207	3.44	2	Yes	No	0	3	0	1
L:L:?1	R:R:L217	9.68	2	Yes	No	0	4	0	1
R:R:C226	R:R:Y220	8.06	0	Yes	Yes	9	3	2	2
R:R:C226	R:R:Q221	4.58	0	Yes	No	9	4	2	1
L:L:?1	R:R:Q221	5.43	2	Yes	No	0	4	0	1
R:R:F230	R:R:M233	3.73	0	No	No	5	6	1	2
R:R:F230	R:R:Q234	7.03	0	No	No	5	7	1	2
L:L:?1	R:R:F230	10.65	2	Yes	No	0	5	0	1
L:L:?1	R:R:T298	4.3	2	Yes	No	0	5	0	1
R:R:R299	R:R:R380	18.13	5	Yes	No	4	5	2	1
R:R:L384	R:R:R380	6.07	0	No	No	5	5	2	1
L:L:?1	R:R:R380	9.21	2	Yes	No	0	5	0	1
L:L:?1	R:R:F381	7.81	2	Yes	No	0	4	0	1
R:R:F381	R:R:G377	3.01	2	No	No	4	4	1	2

Statistics	Value
Average Number Of Links	14.00
Average Number Of Links With An Hub	3.00
Average Interaction Strength	7.49
Average Nodes In Shell	33.00
Average Hubs In Shell	10.00
Average Links In Shell	43.00
Average Links Mediated by Hubs In Shell	33.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

7LCK

Peptide

Glucagon

GLP-1

Homo sapiens

Danuglipron

3.24

2021-01-20

10.1016/j.str.2021.04.008

A 2D representation of the interactions of UK4 in 7LCK
colored according to ConSurf Conservation Grade (See documentation):

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

(Click to enlarge 🔍)

Node1	Node2	LinkStrength	Comm	IsNode1Hub?	IsNode2Hub?	Node1Cons	Node2Cons	Node1Shell	Node2Shell
R:R:E138	R:R:S31	7.19	0	No	No	2	4	2	1
R:R:S31	R:R:T378	6.4	0	No	Yes	4	2	1	2
L:L:?1	R:R:S31	3.5	1	Yes	No	0	4	0	1
R:R:L32	R:R:W214	3.42	0	No	Yes	4	1	1	2
L:L:?1	R:R:L32	8.07	1	Yes	No	0	4	0	1
R:R:E34	R:R:W33	5.45	0	Yes	Yes	4	3	2	1
R:R:Q37	R:R:W33	7.67	0	No	Yes	4	3	2	1
R:R:Q221	R:R:W33	7.67	1	No	Yes	4	3	1	1
R:R:F381	R:R:W33	10.02	1	No	Yes	4	3	1	1
L:L:?1	R:R:W33	15.27	1	Yes	Yes	0	3	0	1
R:R:E34	R:R:T378	5.64	0	Yes	Yes	4	2	2	2
R:R:V36	R:R:W214	7.36	0	No	Yes	2	1	1	2
R:R:L218	R:R:V36	4.47	0	No	No	3	2	2	1
L:L:?1	R:R:V36	5.21	1	Yes	No	0	2	0	1
R:R:Y145	R:R:Y148	4.96	1	Yes	Yes	5	7	2	2
R:R:D198	R:R:Y145	6.9	1	Yes	Yes	7	5	2	2
R:R:W203	R:R:Y145	5.79	1	Yes	Yes	3	5	1	2
R:R:M204	R:R:Y145	7.18	1	No	Yes	3	5	2	2
R:R:D198	R:R:Y148	5.75	1	Yes	Yes	7	7	2	2
R:R:F385	R:R:Y148	8.25	1	Yes	Yes	6	7	1	2
R:R:D198	R:R:K197	11.06	1	Yes	No	7	6	2	1
L:L:?1	R:R:K197	9.04	1	Yes	No	0	6	0	1
R:R:D198	R:R:W203	10.05	1	Yes	Yes	7	3	2	1
L:L:?1	R:R:L201	4.84	1	Yes	No	0	7	0	1
R:R:M204	R:R:W203	3.49	1	No	Yes	3	3	2	1
L:L:?1	R:R:W203	7.97	1	Yes	Yes	0	3	0	1
L:L:?1	R:R:L217	8.07	1	Yes	No	0	4	0	1
R:R:C296	R:R:Q221	3.05	0	No	No	9	4	2	1
L:L:?1	R:R:Q221	4.66	1	Yes	No	0	4	0	1
R:R:F230	R:R:Q234	9.37	0	No	No	5	7	1	2
L:L:?1	R:R:F230	12.07	1	Yes	No	0	5	0	1
R:R:R299	R:R:R380	19.19	6	Yes	No	4	5	2	1
R:R:M371	R:R:R380	3.72	0	No	No	7	5	2	1
L:L:?1	R:R:R380	7.08	1	Yes	No	0	5	0	1
L:L:?1	R:R:F381	13.49	1	Yes	No	0	4	0	1
R:R:F385	R:R:L384	6.09	1	Yes	No	6	5	1	1
R:R:L384	R:R:L388	6.92	1	No	No	5	7	1	2
L:L:?1	R:R:L384	3.23	1	Yes	No	0	5	0	1
L:L:?1	R:R:F385	2.84	1	Yes	Yes	0	6	0	1
L:L:?1	R:R:T298	2.58	1	Yes	No	0	5	0	1
R:R:F230	R:R:M233	2.49	0	No	No	5	6	1	2
R:R:F385	R:R:L144	2.44	1	Yes	No	6	6	1	2
R:R:L217	R:R:S206	1.5	0	No	No	4	4	1	2

Statistics	Value
Average Number Of Links	15.00
Average Number Of Links With An Hub	3.00
Average Interaction Strength	7.19
Average Nodes In Shell	34.00
Average Hubs In Shell	11.00
Average Links In Shell	43.00
Average Links Mediated by Hubs In Shell	35.00

Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)

Location of the nodes interacting with this ligand (click to enlarge 🔍)

Statistics	Value
Average Number Of Links	14.50
Average Number Of Links With An Hub	4.25
Average Interaction Strength	8.27
Average Nodes In Shell	34.50
Average Hubs In Shell	12.00
Average Links In Shell	45.50
Average Links Mediated by Hubs In Shell	37.75

Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

Location of the nodes interacting with this ligand

(Click to enlarge 🔍)