CodeI8B
Name(2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid
Synonyms
Identifier(2~{S})-2-[[(2~{S})-4-azanyl-2-[(4-methylnaphthalen-1-yl)sulfonylamino]butanoyl]amino]-3-phenyl-propanimidic acid
FormulaC24 H28 N4 O4 S
Molecular Weight468.569
SMILES[H]/N=C(/[C@H](Cc1ccccc1)NC(=O)[C@H](CCN)NS(=O)(=O)c2ccc(c3c2cccc3)C)\O
PubChem11442741
Formal Charge0
Total Atoms61
Total Chiral Atoms2
Total Bonds63
Total Aromatic Bonds17
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
7XMT A Peptide Somatostatin SST4 Homo sapiens J-2156 - Gi1/Beta1/Gamma2 2.8 2022-08-03 10.1038/s41422-022-00679-x

A 2D representation of the interactions of I8B in 7XMT
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:D126 R:R:F96 4.78 2 Yes Yes 6 7 1 2
R:R:F96 R:R:Y301 17.54 2 Yes Yes 7 6 2 1
R:R:S99 R:R:V122 3.23 0 No Yes 6 5 2 2
R:R:D126 R:R:S99 10.31 2 Yes No 6 6 1 2
R:R:V100 R:R:Y301 5.05 0 Yes Yes 7 6 2 1
R:R:F102 R:R:W112 4.01 2 No Yes 5 8 2 1
R:R:F102 R:R:F114 4.29 2 No Yes 5 6 2 2
R:R:F102 R:R:V122 2.62 2 No Yes 5 5 2 2
R:R:V103 R:R:Y301 6.31 2 No Yes 5 6 1 1
L:L:?1 R:R:V103 13.93 2 Yes No 0 5 0 1
R:R:S106 R:R:W112 7.41 0 No Yes 4 8 2 1
R:R:P113 R:R:W112 2.7 2 Yes Yes 3 8 2 1
R:R:F114 R:R:W112 20.04 2 Yes Yes 6 8 2 1
R:R:C119 R:R:W112 15.67 2 No Yes 9 8 2 1
R:R:V122 R:R:W112 2.45 2 Yes Yes 5 8 2 1
R:R:C198 R:R:W112 3.92 2 No Yes 9 8 2 1
L:L:?1 R:R:W112 5.32 2 Yes Yes 0 8 0 1
R:R:F114 R:R:P113 2.89 2 Yes Yes 6 3 2 2
R:R:C119 R:R:C198 7.28 2 No No 9 9 2 2
L:L:?1 R:R:L123 7.55 2 Yes No 0 4 0 1
R:R:D126 R:R:Y301 4.6 2 Yes Yes 6 6 1 1
L:L:?1 R:R:D126 16.92 2 Yes Yes 0 6 0 1
R:R:G127 R:R:M130 3.49 0 No Yes 5 7 2 1
R:R:F131 R:R:M130 4.98 2 Yes Yes 6 7 1 1
R:R:M130 R:R:W272 5.82 2 Yes Yes 7 8 1 2
L:L:?1 R:R:M130 6.61 2 Yes Yes 0 7 0 1
R:R:F131 R:R:S174 5.28 2 Yes Yes 6 8 1 2
R:R:F131 R:R:V177 9.18 2 Yes No 6 5 1 2
R:R:F131 R:R:T178 6.49 2 Yes No 6 7 1 2
R:R:F131 R:R:T215 3.89 2 Yes No 6 5 1 1
L:L:?1 R:R:F131 6.64 2 Yes Yes 0 6 0 1
R:R:I181 R:R:L200 5.71 0 No Yes 4 3 2 1
R:R:A197 R:R:N199 4.69 0 No No 3 4 2 1
L:L:?1 R:R:N199 4.28 2 Yes No 0 4 0 1
R:R:L200 R:R:W202 6.83 2 Yes Yes 3 3 1 2
R:R:F211 R:R:L200 3.65 2 No Yes 5 3 2 1
L:L:?1 R:R:L200 5.39 2 Yes Yes 0 3 0 1
R:R:F211 R:R:W202 16.04 2 No Yes 5 3 2 2
L:L:?1 R:R:V212 3.48 2 Yes No 0 4 0 1
R:R:T215 R:R:Y276 2.5 2 No Yes 5 7 1 1
L:L:?1 R:R:T215 5.74 2 Yes No 0 5 0 1
R:R:F216 R:R:F220 8.57 2 Yes No 5 8 2 2
R:R:F216 R:R:Y276 10.32 2 Yes Yes 5 7 2 1
R:R:F220 R:R:Y276 13.41 2 No Yes 8 7 2 1
R:R:S300 R:R:W272 6.18 0 No Yes 7 8 2 2
R:R:F275 R:R:Q279 3.51 2 Yes No 6 6 1 1
R:R:F275 R:R:L297 7.31 2 Yes No 6 4 1 2
R:R:F275 R:R:S300 3.96 2 Yes No 6 7 1 2
L:L:?1 R:R:F275 14.24 2 Yes Yes 0 6 0 1
L:L:?1 R:R:Y276 3.65 2 Yes Yes 0 7 0 1
R:R:N282 R:R:Q279 6.6 0 No No 3 6 2 1
L:L:?1 R:R:Q279 15.56 2 Yes No 0 6 0 1
R:R:L297 R:R:Y301 4.69 0 No Yes 4 6 2 1
L:L:?1 R:R:Y301 2.74 2 Yes Yes 0 6 0 1
R:R:V212 R:R:V213 1.6 0 No No 4 4 1 2
R:R:L280 R:R:V212 1.49 0 No No 5 4 2 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.00
Average Nodes In Shell41.00
Average Hubs In Shell18.00
Average Links In Shell56.00
Average Links Mediated by Hubs In Shell51.00
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 Links14.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.00
Average Nodes In Shell41.00
Average Hubs In Shell18.00
Average Links In Shell56.00
Average Links Mediated by Hubs In Shell51.00

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)