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Ligand

NameCHEMBL166827
Molecular formulaC32H40Cl4N4O6S
IUPAC name3-[(Z)-[1-[(3,5-dichlorobenzoyl)-methylamino]-3-(3,4-dichlorophenyl)-5-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]pentan-2-ylidene]amino]oxypropane-1-sulfonic acid
Molecular weight750.554
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
SynonymsBDBM50110632
3-[1-{[(3,5-Dichloro-benzoyl)-methyl-amino]-methyl}-2-(3,4-dichloro-phenyl)-4-(2-oxo-[1,4'']bipiperidinyl-1''-yl)-but-(Z)-ylideneaminooxy]-propane-1-sulfonic acid
Inchi KeyAEJFLHAKYANRRV-GGFUHWEBSA-N
Inchi IDInChI=1S/C32H40Cl4N4O6S/c1-38(32(42)23-17-24(33)20-25(34)18-23)21-30(37-46-15-4-16-47(43,44)45)27(22-6-7-28(35)29(36)19-22)10-14-39-12-8-26(9-13-39)40-11-3-2-5-31(40)41/h6-7,17-20,26-27H,2-5,8-16,21H2,1H3,(H,43,44,45)/b37-30+
PubChem CID9918479
ChEMBLCHEMBL166827
IUPHARN/A
BindingDB50110632
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3516Substance-K receptorP21452TACR2Homo sapiens (Human)398
3515Substance-P receptorP25103TACR1Homo sapiens (Human)407

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