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Ligand

NameCHEMBL338768
Molecular formulaC32H35ClN4O4S
IUPAC name(3R)-N-[(2R)-3-(4-chlorophenyl)-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight607.166
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.0
Synonyms1''-[3-(4-chlorophenyl)-2-[(3R)-1,2-dihydro-3-isoquinolinylcarboxamido]-(2R)-propanoyl]-1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]
BDBM50134495
1''-[3-(4-chlorophenyl)-2-[(3R)-1,4-dihydro-3-isoquinolinylcarboxamido]-(2R)-propanoyl]-1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]
(3R)-N-[(alphaR)-alpha-[[1'-(Methylsulfonyl)spiro[piperidine-4,3'-indoline]-1-yl]carbonyl]-4-chlorophenethyl]-1,2,3,4-tetrahydroisoquinoline-3beta-carboxamide
Inchi KeyAYRYPORYMTYECQ-VSGBNLITSA-N
Inchi IDInChI=1S/C32H35ClN4O4S/c1-42(40,41)37-21-32(26-8-4-5-9-29(26)37)14-16-36(17-15-32)31(39)28(18-22-10-12-25(33)13-11-22)35-30(38)27-19-23-6-2-3-7-24(23)20-34-27/h2-13,27-28,34H,14-21H2,1H3,(H,35,38)/t27-,28-/m1/s1
PubChem CID44349173
ChEMBLCHEMBL338768
IUPHARN/A
BindingDB50134495
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17736Melanocortin receptor 3P41968MC3RHomo sapiens (Human)323
17735Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
17737Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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