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Ligand

NameCHEMBL1779235
Molecular formulaC26H33N3O5S
IUPAC name1-(1,4-diazepan-1-yl)-2-[5-methoxy-1-(4-methoxy-2,3-dimethylphenyl)sulfonyl-2-methylindol-3-yl]ethanone
Molecular weight499.626
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.4
Synonyms1-(1,4-diazepan-1-yl)-2-(5-methoxy-1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-1H-indol-3-yl)ethanone
BDBM50345082
Inchi KeyAVRCSHYHSGCUCL-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33N3O5S/c1-17-18(2)25(10-9-24(17)34-5)35(31,32)29-19(3)21(22-15-20(33-4)7-8-23(22)29)16-26(30)28-13-6-11-27-12-14-28/h7-10,15,27H,6,11-14,16H2,1-5H3
PubChem CID53358903
ChEMBLCHEMBL1779235
IUPHARN/A
BindingDB50345082
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15573Oxytocin receptorP30559OXTRHomo sapiens (Human)389
15572Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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