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Ligand

NameCHEMBL302892
Molecular formulaC37H38N4O4
IUPAC name(4R)-N-[(2R)-1-[benzyl(methyl)amino]-3-(6-methylnaphthalen-2-yl)-1-oxopropan-2-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide
Molecular weight602.735
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.0
Synonyms(R)-4-Hydroxy-1-(1-methyl-1H-indole-3-carbonyl)-pyrrolidine-2-carboxylic acid [(R)-1-(benzyl-methyl-carbamoyl)-2-(6-methyl-naphthalen-2-yl)-ethyl]-amide
BDBM50030175
Inchi KeyAGDACNVYIDABFF-INCBRJRSSA-N
Inchi IDInChI=1S/C37H38N4O4/c1-24-13-15-28-18-26(14-16-27(28)17-24)19-32(37(45)40(3)21-25-9-5-4-6-10-25)38-35(43)34-20-29(42)22-41(34)36(44)31-23-39(2)33-12-8-7-11-30(31)33/h4-18,23,29,32,34,42H,19-22H2,1-3H3,(H,38,43)/t29-,32-,34?/m1/s1
PubChem CID44306252
ChEMBLCHEMBL302892
IUPHARN/A
BindingDB50030175
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4782Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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