CodeVV9
Name(2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine
SynonymsBMS-986122
Identifier
FormulaC16 H15 Br Cl N O3 S2
Molecular Weight448.782
SMILES
PubChem1271268
Formal Charge0
Total Atoms39
Total Chiral Atoms1
Total Bonds41
Total Aromatic Bonds12
Networks4
 missing image

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
8K9L A Peptide Opioid MOP Homo Sapiens Damgo BMS-986122 Gi3/Beta1/Gamma1 3.05 2024-05-29 doi.org/10.1038/s41467-024-47792-6

A 2D representation of the interactions of VV9 in 8K9L
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:W158 W:W:?1 26.1 0 Yes Yes 5 0 1 0
R:R:C161 W:W:?1 4.36 7 No Yes 7 0 1 0
R:R:T162 W:W:?1 10.81 7 No Yes 7 0 1 0
R:R:V165 W:W:?1 17.75 0 No Yes 6 0 1 0
R:R:F180 W:W:?1 3.35 0 No Yes 3 0 1 0
R:R:F241 W:W:?1 6.7 0 No Yes 4 0 1 0
R:R:M245 W:W:?1 11.66 7 No Yes 5 0 1 0
R:R:P246 W:W:?1 4.52 7 Yes Yes 8 0 1 0
R:R:T162 R:R:Y108 6.24 7 No Yes 7 7 1 2
R:R:I189 R:R:Y108 4.84 7 No Yes 5 7 2 2
R:R:F154 R:R:W158 9.02 0 Yes Yes 6 5 2 1
R:R:I157 R:R:W158 3.52 7 Yes Yes 7 5 2 1
R:R:I157 R:R:P246 3.39 7 Yes Yes 7 8 2 1
R:R:N193 R:R:W158 6.78 0 No Yes 7 5 2 1
R:R:L196 R:R:W158 4.56 0 No Yes 4 5 2 1
R:R:C161 R:R:P246 3.77 7 No Yes 7 8 1 1
R:R:I189 R:R:T162 3.04 7 No No 5 7 2 1
R:R:I169 R:R:V165 3.07 0 No No 5 6 2 1
R:R:M245 R:R:P246 6.71 7 No Yes 5 8 1 1
R:R:F241 R:R:I240 2.51 0 No No 4 5 1 2
R:R:C161 R:R:I249 1.64 7 No No 7 6 1 2
StatisticsValue
Average Number Of Links8.00
Average Number Of Links With An Hub2.00
Average Interaction Strength10.66
Average Nodes In Shell18.00
Average Hubs In Shell6.00
Average Links In Shell21.00
Average Links Mediated by Hubs In Shell17.00
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
8Y72 A Peptide Opioid MOP Homo Sapiens Peptide BMS-986122 Gi1/Beta1/Gamma2 2.65 2025-08-06 To be published

A 2D representation of the interactions of VV9 in 8Y72
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:T162 R:R:Y108 8.74 2 Yes Yes 7 7 1 2
R:R:D166 R:R:Y108 5.75 0 No Yes 8 7 1 2
R:R:I189 R:R:Y108 8.46 2 Yes Yes 5 7 1 2
R:R:F154 R:R:F158 6.43 2 Yes Yes 6 5 2 1
R:R:F154 R:R:S197 2.64 2 Yes Yes 6 8 2 2
R:R:F158 R:R:N193 4.83 2 Yes No 5 7 1 1
R:R:F158 R:R:L196 2.44 2 Yes No 5 4 1 2
R:R:F158 R:R:S197 2.64 2 Yes Yes 5 8 1 2
R:R:F158 W:W:?1 8.93 2 Yes Yes 5 0 1 0
R:R:C161 R:R:P246 3.77 0 No Yes 7 8 1 2
R:R:C161 W:W:?1 2.91 0 No Yes 7 0 1 0
R:R:I189 R:R:T162 4.56 2 Yes Yes 5 7 1 1
R:R:N193 R:R:T162 7.31 2 No Yes 7 7 1 1
R:R:T162 W:W:?1 10.81 2 Yes Yes 7 0 1 0
R:R:I169 R:R:V165 3.07 0 No No 5 6 2 1
R:R:C253 R:R:V165 3.42 0 No No 8 6 2 1
R:R:V165 W:W:?1 17.75 0 No Yes 6 0 1 0
R:R:D166 R:R:R181 16.68 0 No Yes 8 7 1 2
R:R:D166 W:W:?1 2.49 0 No Yes 8 0 1 0
R:R:I189 R:R:N185 2.83 2 Yes No 5 4 1 2
R:R:I189 W:W:?1 6.54 2 Yes Yes 5 0 1 0
R:R:N193 W:W:?1 5.03 2 No Yes 7 0 1 0
R:R:F241 R:R:M245 2.49 2 No Yes 4 5 1 1
R:R:F241 W:W:?1 4.47 2 No Yes 4 0 1 0
R:R:M245 R:R:P246 6.71 2 Yes Yes 5 8 1 2
R:R:I249 R:R:M245 5.83 0 No Yes 6 5 2 1
R:R:M245 W:W:?1 18.14 2 Yes Yes 5 0 1 0
StatisticsValue
Average Number Of Links9.00
Average Number Of Links With An Hub4.00
Average Interaction Strength8.56
Average Nodes In Shell20.00
Average Hubs In Shell10.00
Average Links In Shell27.00
Average Links Mediated by Hubs In Shell25.00
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 Links8.00
Average Number Of Links With An Hub2.75
Average Interaction Strength10.03
Average Nodes In Shell17.50
Average Hubs In Shell7.00
Average Links In Shell21.25
Average Links Mediated by Hubs In Shell18.25

missing image


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 🔍)