psnGPCR

Code	ITF
Name	2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate
Synonyms
Identifier
Formula	C6 H10 N4 S
Molecular Weight	170.235
SMILES
PubChem	3692
Formal Charge	0
Total Atoms	21
Total Chiral Atoms	0
Total Bonds	21
Total Aromatic Bonds	5
Networks	6

This ligand is also present in the following 6 networks:

Show

PDB

Class

SubFamily

Type

SubType

Species

Orthosteric Ligand

Other Ligand(s)

Protein Partners

Resolution

Date

DOI

7YFD

Amine

Histamine

Homo Sapiens

Imetit

chim(NtGi1-Gs-CtGq)/Beta1/Gamma2

3.1

2023-10-25

10.1038/s41467-023-42260-z

A 2D representation of the interactions of ITF in 7YFD
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
L:L:?1	R:R:D94	7.73	3	Yes	No	0	8	0	1
L:L:?1	R:R:Y95	21	3	Yes	No	0	8	0	1
L:L:?1	R:R:C98	10.34	3	Yes	No	0	8	0	1
L:L:?1	R:R:E182	10.79	3	Yes	Yes	0	8	0	1
L:L:?1	R:R:W316	7.42	3	Yes	Yes	0	9	0	1
L:L:?1	R:R:F344	17.85	3	Yes	No	0	6	0	1
L:L:?1	R:R:Q347	16.25	3	Yes	No	0	8	0	1
L:L:?1	R:R:W348	7.42	3	Yes	Yes	0	8	0	1
R:R:D94	R:R:S68	7.36	3	No	No	8	8	1	2
R:R:S68	R:R:W348	4.94	3	No	Yes	8	8	2	1
R:R:I69	R:R:W345	5.87	3	Yes	Yes	8	8	2	2
R:R:I69	R:R:W348	5.87	3	Yes	Yes	8	8	2	1
R:R:W345	R:R:Y72	3.86	3	Yes	Yes	8	7	2	2
R:R:W348	R:R:Y72	7.72	3	Yes	Yes	8	7	1	2
R:R:D94	R:R:W348	11.17	3	No	Yes	8	8	1	1
R:R:N147	R:R:Y95	13.96	0	Yes	No	8	8	2	1
R:R:P166	R:R:Y95	5.56	0	Yes	No	7	8	2	1
R:R:E182	R:R:T99	4.23	3	Yes	No	8	8	1	2
R:R:F312	R:R:V102	5.24	3	No	No	9	8	2	2
R:R:V102	R:R:W316	8.58	3	No	Yes	8	9	2	1
R:R:E182	R:R:N147	5.26	3	Yes	Yes	8	8	1	2
R:R:E182	R:R:W316	3.27	3	Yes	Yes	8	9	1	1
R:R:F312	R:R:W316	8.02	3	No	Yes	9	9	2	1
R:R:Q347	R:R:W316	17.52	3	No	Yes	8	9	1	1
R:R:N350	R:R:W316	6.78	0	No	Yes	9	9	2	1
R:R:F344	R:R:Y319	7.22	3	No	Yes	6	7	1	2
R:R:Q347	R:R:Y319	9.02	3	No	Yes	8	7	1	2
R:R:F344	R:R:W348	9.02	3	No	Yes	6	8	1	1
R:R:W345	R:R:W348	12.18	3	Yes	Yes	8	8	2	1

Statistics	Value
Average Number Of Links	8.00
Average Number Of Links With An Hub	3.00
Average Interaction Strength	12.35
Average Nodes In Shell	20.00
Average Hubs In Shell	10.00
Average Links In Shell	29.00
Average Links Mediated by Hubs In Shell	27.00

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

8HOC

Amine

Histamine

Homo Sapiens

Imetit

Gi1/Beta1/Gamma2

2023-12-20

To be published

A 2D representation of the interactions of ITF in 8HOC
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:D94	R:R:S68	8.83	2	No	No	8	8	1	2
R:R:S68	R:R:W348	7.41	2	No	Yes	8	8	2	1
R:R:F344	R:R:Y72	11.35	2	Yes	Yes	6	7	1	2
R:R:W345	R:R:Y72	5.79	2	Yes	Yes	8	7	2	2
R:R:W348	R:R:Y72	6.75	2	Yes	Yes	8	7	1	2
R:R:L91	R:R:Y95	3.52	2	No	Yes	6	8	2	1
R:R:L91	R:R:P166	3.28	2	No	Yes	6	7	2	2
R:R:D94	R:R:W348	11.17	2	No	Yes	8	8	1	1
L:L:?1	R:R:D94	12.15	2	Yes	No	0	8	0	1
R:R:N147	R:R:Y95	9.3	2	Yes	Yes	8	8	2	1
R:R:I151	R:R:Y95	4.84	2	Yes	Yes	7	8	2	1
R:R:P166	R:R:Y95	6.95	2	Yes	Yes	7	8	2	1
L:L:?1	R:R:Y95	13.36	2	Yes	Yes	0	8	0	1
R:R:C98	R:R:W316	3.92	2	No	Yes	8	9	1	1
R:R:C98	R:R:W348	2.61	2	No	Yes	8	8	1	1
L:L:?1	R:R:C98	6.46	2	Yes	No	0	8	0	1
R:R:V102	R:R:Y103	3.79	2	Yes	Yes	8	7	2	2
R:R:F312	R:R:V102	3.93	2	Yes	Yes	9	8	2	2
R:R:V102	R:R:W316	8.58	2	Yes	Yes	8	9	2	1
R:R:V146	R:R:Y103	6.31	2	No	Yes	7	7	2	2
R:R:E182	R:R:Y103	3.37	2	Yes	Yes	8	7	1	2
R:R:L181	R:R:V146	7.45	2	No	No	5	7	2	2
R:R:E182	R:R:V146	4.28	2	Yes	No	8	7	1	2
R:R:I151	R:R:N147	7.08	2	Yes	Yes	7	8	2	2
R:R:N147	R:R:T178	2.92	2	Yes	No	8	8	2	2
R:R:E182	R:R:T178	7.06	2	Yes	No	8	8	1	2
R:R:E182	R:R:L181	2.65	2	Yes	No	8	5	1	2
L:L:?1	R:R:E182	5.39	2	Yes	Yes	0	8	0	1
R:R:F312	R:R:W316	10.02	2	Yes	Yes	9	9	2	1
R:R:Q347	R:R:W316	13.14	2	No	Yes	8	9	1	1
R:R:N350	R:R:W316	7.91	0	No	Yes	9	9	2	1
L:L:?1	R:R:W316	5.56	2	Yes	Yes	0	9	0	1
R:R:T323	R:R:Y319	8.74	0	No	Yes	7	7	2	1
R:R:Y319	R:R:Y340	10.92	2	Yes	No	7	5	1	2
R:R:A343	R:R:Y319	2.67	0	No	Yes	5	7	2	1
R:R:F344	R:R:Y319	6.19	2	Yes	Yes	6	7	1	1
R:R:Q347	R:R:Y319	9.02	2	No	Yes	8	7	1	1
L:L:?1	R:R:Y319	4.77	2	Yes	Yes	0	7	0	1
R:R:F344	R:R:W345	3.01	2	Yes	Yes	6	8	1	2
R:R:F344	R:R:W348	8.02	2	Yes	Yes	6	8	1	1
L:L:?1	R:R:F344	16.86	2	Yes	Yes	0	6	0	1
R:R:W345	R:R:W348	11.25	2	Yes	Yes	8	8	2	1
L:L:?1	R:R:Q347	11.92	2	Yes	No	0	8	0	1
L:L:?1	R:R:W348	12.05	2	Yes	Yes	0	8	0	1

Statistics	Value
Average Number Of Links	9.00
Average Number Of Links With An Hub	6.00
Average Interaction Strength	9.84
Average Nodes In Shell	27.00
Average Hubs In Shell	15.00
Average Links In Shell	44.00
Average Links Mediated by Hubs In Shell	42.00

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

8YN6

Amine

Histamine

Homo sapiens

Imetit

Gi1/Beta1/Gamma2

2.77

2024-10-09

doi.org/10.1038/s41467-024-52585-y

A 2D representation of the interactions of ITF in 8YN6
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
L:L:?1	R:R:D114	7.73	2	Yes	Yes	0	9	0	1
L:L:?1	R:R:Y115	8.59	2	Yes	Yes	0	9	0	1
L:L:?1	R:R:C118	9.04	2	Yes	No	0	8	0	1
L:L:?1	R:R:E206	12.95	2	Yes	Yes	0	8	0	1
L:L:?1	R:R:Y374	19.09	2	Yes	Yes	0	9	0	1
L:L:?1	R:R:F398	20.82	2	Yes	Yes	0	7	0	1
L:L:?1	R:R:L401	14.65	2	Yes	No	0	8	0	1
L:L:?1	R:R:W402	11.13	2	Yes	Yes	0	8	0	1
R:R:I88	R:R:V83	3.07	2	Yes	Yes	9	9	2	2
R:R:V83	R:R:W402	3.68	2	Yes	Yes	9	8	2	1
R:R:C87	R:R:D114	6.22	0	No	Yes	9	9	2	1
R:R:I88	R:R:W402	15.27	2	Yes	Yes	9	8	2	1
R:R:W110	R:R:Y91	10.61	0	Yes	Yes	6	8	2	2
R:R:F398	R:R:Y91	11.35	2	Yes	Yes	7	8	1	2
R:R:W399	R:R:Y91	2.89	2	Yes	Yes	9	8	2	2
R:R:W402	R:R:Y91	7.72	2	Yes	Yes	8	8	1	2
R:R:D114	R:R:W110	10.05	2	Yes	Yes	9	6	1	2
R:R:D114	R:R:W402	11.17	2	Yes	Yes	9	8	1	1
R:R:Y115	R:R:Y167	15.89	2	Yes	Yes	9	8	1	2
R:R:I171	R:R:Y115	6.04	2	Yes	Yes	7	9	2	1
R:R:A190	R:R:Y115	4	2	No	Yes	7	9	2	1
R:R:F192	R:R:Y115	7.22	2	Yes	Yes	7	9	2	1
R:R:C118	R:R:W371	2.61	2	No	Yes	8	8	1	2
R:R:C118	R:R:W402	2.61	2	No	Yes	8	8	1	1
R:R:T119	R:R:Y167	2.5	2	Yes	Yes	9	8	2	2
R:R:E206	R:R:T119	8.47	2	Yes	Yes	8	9	1	2
R:R:F192	R:R:Y167	4.13	2	Yes	Yes	7	8	2	2
R:R:E206	R:R:Y167	15.71	2	Yes	Yes	8	8	1	2
R:R:F192	R:R:I171	3.77	2	Yes	Yes	7	7	2	2
R:R:A190	R:R:F192	8.32	2	No	Yes	7	7	2	2
R:R:E206	R:R:W371	7.63	2	Yes	Yes	8	8	1	2
R:R:L401	R:R:W371	15.94	2	No	Yes	8	8	1	2
R:R:M378	R:R:Y374	16.76	2	No	Yes	8	9	2	1
R:R:Y374	R:R:Y394	4.96	2	Yes	Yes	9	4	1	2
R:R:S397	R:R:Y374	6.36	0	No	Yes	7	9	2	1
R:R:F398	R:R:Y374	9.28	2	Yes	Yes	7	9	1	1
R:R:L401	R:R:Y374	4.69	2	No	Yes	8	9	1	1
R:R:F398	R:R:Y394	5.16	2	Yes	Yes	7	4	1	2
R:R:F398	R:R:W399	3.01	2	Yes	Yes	7	9	1	2
R:R:F398	R:R:W402	9.02	2	Yes	Yes	7	8	1	1
R:R:W399	R:R:W402	11.25	2	Yes	Yes	9	8	2	1

Statistics	Value
Average Number Of Links	8.00
Average Number Of Links With An Hub	6.00
Average Interaction Strength	13.00
Average Nodes In Shell	24.00
Average Hubs In Shell	18.00
Average Links In Shell	41.00
Average Links Mediated by Hubs In Shell	41.00

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	8.33
Average Number Of Links With An Hub	5.00
Average Interaction Strength	11.73
Average Nodes In Shell	23.17
Average Hubs In Shell	13.17
Average Links In Shell	35.50
Average Links Mediated by Hubs In Shell	34.33

Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

Location of the nodes interacting with this ligand

(Click to enlarge 🔍)