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Ligand

NameCHEMBL1779229
Molecular formulaC25H35N3O4S
IUPAC name4-methoxy-2,3,6-trimethyl-N-[(2S)-1-(4-methyl-1,4-diazepan-1-yl)-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
Molecular weight473.632
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50345076
(S)-4-methoxy-2,3,6-trimethyl-N-(1-(4-methyl-1,4-diazepan-1-yl)-1-oxo-3-phenylpropan-2-yl)benzenesulfonamide
Inchi KeyBALQDBLVCCRDSJ-QFIPXVFZSA-N
Inchi IDInChI=1S/C25H35N3O4S/c1-18-16-23(32-5)19(2)20(3)24(18)33(30,31)26-22(17-21-10-7-6-8-11-21)25(29)28-13-9-12-27(4)14-15-28/h6-8,10-11,16,22,26H,9,12-15,17H2,1-5H3/t22-/m0/s1
PubChem CID54587780
ChEMBLCHEMBL1779229
IUPHARN/A
BindingDB50345076
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18970Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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