CodeWH9
Name5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
Synonyms
Identifier5,6-bis(chloranyl)-3-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1~{H}-benzimidazol-2-one
FormulaC19 H18 Cl3 N3 O
Molecular Weight410.725
SMILESc1cc(ccc1CN2CCC(CC2)N3c4cc(c(cc4NC3=O)Cl)Cl)Cl
PubChem130431397
Formal Charge0
Total Atoms44
Total Chiral Atoms0
Total Bonds47
Total Aromatic Bonds12
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
8EFL A Peptide Opioid MOP Homo sapiens SR17018 - Gi1/Beta1/Gamma2 3.2  2022-11-09 10.1016/j.cell.2022.09.041

A 2D representation of the interactions of WH9 in 8EFL
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:T122 R:R:V145 3.17 0 No Yes 6 5 2 1
R:R:D149 R:R:T122 5.78 2 Yes No 5 6 1 2
R:R:L123 R:R:Q126 2.66 2 Yes Yes 7 6 2 1
R:R:L123 R:R:Y328 4.69 2 Yes Yes 7 7 2 1
R:R:F125 R:R:F137 5.36 0 No Yes 6 6 2 2
R:R:F125 R:R:V145 3.93 0 No Yes 6 5 2 1
R:R:D149 R:R:Q126 3.92 2 Yes Yes 5 6 1 1
R:R:Q126 R:R:Y328 7.89 2 Yes Yes 6 7 1 1
L:L:?1 R:R:Q126 16.7 2 Yes Yes 0 6 0 1
R:R:N129 R:R:W135 9.04 2 No Yes 4 8 1 1
L:L:?1 R:R:N129 6.15 2 Yes No 0 4 0 1
R:R:F137 R:R:W135 18.04 0 Yes Yes 6 8 2 1
R:R:G138 R:R:W135 2.81 0 No Yes 7 8 2 1
R:R:C142 R:R:W135 6.53 2 No Yes 9 8 2 1
R:R:I217 R:R:W135 3.52 0 Yes Yes 4 8 2 1
R:R:C219 R:R:W135 16.98 2 Yes Yes 9 8 1 1
L:L:?1 R:R:W135 3.06 2 Yes Yes 0 8 0 1
R:R:F137 R:R:L141 6.09 0 Yes No 6 5 2 2
R:R:L141 R:R:V145 2.98 0 No Yes 5 5 2 1
R:R:C142 R:R:C219 7.28 2 No Yes 9 9 2 1
L:L:?1 R:R:V145 2.67 2 Yes Yes 0 5 0 1
R:R:A208 R:R:I146 3.25 0 No No 5 4 2 1
R:R:C219 R:R:I146 3.27 2 Yes No 9 4 1 1
L:L:?1 R:R:I146 2.56 2 Yes No 0 4 0 1
R:R:D149 R:R:Y328 8.05 2 Yes Yes 5 7 1 1
L:L:?1 R:R:D149 17.02 2 Yes Yes 0 5 0 1
R:R:V204 R:R:Y150 3.79 0 No No 5 4 2 1
R:R:L221 R:R:Y150 3.52 15 No No 4 4 2 1
L:L:?1 R:R:Y150 11.55 2 Yes No 0 4 0 1
R:R:F154 R:R:M153 3.73 0 Yes No 6 7 2 1
R:R:M153 R:R:W295 5.82 0 No Yes 7 8 1 2
L:L:?1 R:R:M153 10.13 2 Yes No 0 7 0 1
R:R:A242 R:R:F154 4.16 0 No Yes 5 6 2 2
L:L:?1 R:R:C219 4.27 2 Yes Yes 0 9 0 1
R:R:F239 R:R:F243 5.36 2 Yes Yes 6 8 2 2
R:R:F239 R:R:H299 5.66 2 Yes Yes 6 7 2 1
R:R:A242 R:R:H299 4.39 0 No Yes 5 7 2 1
R:R:F243 R:R:H299 4.53 2 Yes Yes 8 7 2 1
R:R:H299 R:R:W295 7.41 2 Yes Yes 7 8 1 2
R:R:H299 R:R:I298 2.65 2 Yes Yes 7 6 1 1
R:R:C323 R:R:I298 3.27 0 No Yes 6 6 2 1
L:L:?1 R:R:I298 6.39 2 Yes Yes 0 6 0 1
L:L:?1 R:R:H299 5.76 2 Yes Yes 0 7 0 1
R:R:V302 R:R:W320 2.45 0 No Yes 5 4 1 2
L:L:?1 R:R:V302 2.67 2 Yes No 0 5 0 1
L:L:?1 R:R:Y328 4.2 2 Yes Yes 0 7 0 1
R:R:G327 R:R:I298 1.76 0 No Yes 7 6 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub8.00
Average Interaction Strength7.16
Average Nodes In Shell33.00
Average Hubs In Shell17.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell44.00
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 Links13.00
Average Number Of Links With An Hub8.00
Average Interaction Strength7.16
Average Nodes In Shell33.00
Average Hubs In Shell17.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell44.00

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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 🔍)