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Ligand

NameCHEMBL2114308
Molecular formulaC27H26N2O3
IUPAC name(3,5-dimethylphenyl)methyl (2R)-2-benzamido-3-(1H-indol-3-yl)propanoate
Molecular weight426.516
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.3
SynonymsBDBM50407301
Inchi KeyBKFSYSKVGGJRTB-RUZDIDTESA-N
Inchi IDInChI=1S/C27H26N2O3/c1-18-12-19(2)14-20(13-18)17-32-27(31)25(29-26(30)21-8-4-3-5-9-21)15-22-16-28-24-11-7-6-10-23(22)24/h3-14,16,25,28H,15,17H2,1-2H3,(H,29,30)/t25-/m1/s1
PubChem CID10410206
ChEMBLCHEMBL2114308
IUPHARN/A
BindingDB50407301
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
25737Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
25735Substance-K receptorP21452TACR2Homo sapiens (Human)398
25736Substance-P receptorP25103TACR1Homo sapiens (Human)407

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