CodeITF
Name2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate
Synonyms
Identifier2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate
FormulaC6 H10 N4 S
Molecular Weight170.235
SMILES[H]/N=C(\N)/SCCc1cnc[nH]1
PubChem3692
Formal Charge0
Total Atoms21
Total Chiral Atoms0
Total Bonds21
Total Aromatic Bonds5
Networks2
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This ligand is also present in the following 2 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7YFD A Amine Histamine H4 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
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
L:L:?1 R:R:D94 7.37 3 Yes No 0 8 0 1
R:R:N147 R:R:Y95 13.96 0 Yes No 8 8 2 1
R:R:P166 R:R:Y95 5.56 8 Yes No 7 8 2 1
L:L:?1 R:R:Y95 20.01 3 Yes No 0 8 0 1
L:L:?1 R:R:C98 9.85 3 Yes No 0 8 0 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
L:L:?1 R:R:E182 10.28 3 Yes Yes 0 8 0 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
L:L:?1 R:R:W316 7.07 3 Yes Yes 0 9 0 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
L:L:?1 R:R:F344 17.01 3 Yes No 0 6 0 1
R:R:W345 R:R:W348 12.18 3 Yes Yes 8 8 2 1
L:L:?1 R:R:Q347 15.49 3 Yes No 0 8 0 1
L:L:?1 R:R:W348 7.07 3 Yes Yes 0 8 0 1
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub3.00
Average Interaction Strength11.77
Average Nodes In Shell20.00
Average Hubs In Shell10.00
Average Links In Shell29.00
Average Links Mediated by Hubs In Shell27.00
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 A Amine Histamine H4 Homo Sapiens Imetit - Gi1/Beta1/Gamma2 3 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 12.88 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 14.16 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 6.85 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 5.72 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 5.9 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 5.06 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 17.87 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 12.64 2 Yes No 0 8 0 1
L:L:?1 R:R:W348 12.78 2 Yes Yes 0 8 0 1
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub6.00
Average Interaction Strength10.43
Average Nodes In Shell27.00
Average Hubs In Shell15.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell42.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links8.50
Average Number Of Links With An Hub4.50
Average Interaction Strength11.10
Average Nodes In Shell23.50
Average Hubs In Shell12.50
Average Links In Shell36.50
Average Links Mediated by Hubs In Shell34.50

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

missing image


Location of the nodes interacting with this ligand

(Click to enlarge 🔍)