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Ligand

NameCHEMBL1083880
Molecular formulaC37H45N5O3S
IUPAC name6-methyl-N-[1-[[(2S)-5-[4-(1-methylpyrrole-2-carbonyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight639.859
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50415929
Inchi KeyGEIAIWAMZLASTE-PMERELPUSA-N
Inchi IDInChI=1S/C37H45N5O3S/c1-27-14-15-29-26-33(46-32(29)24-27)34(43)39-37(16-6-7-17-37)36(45)38-30(25-28-10-4-3-5-11-28)12-8-19-41-20-22-42(23-21-41)35(44)31-13-9-18-40(31)2/h3-5,9-11,13-15,18,24,26,30H,6-8,12,16-17,19-23,25H2,1-2H3,(H,38,45)(H,39,43)/t30-/m0/s1
PubChem CID46236510
ChEMBLCHEMBL1083880
IUPHARN/A
BindingDB50415929
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
94361Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
94362Substance-K receptorP21452TACR2Homo sapiens (Human)398

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