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Ligand

NameCHEMBL26336
Molecular formulaC26H21F3N2O3
IUPAC name[3-(trifluoromethyl)phenyl]methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
Molecular weight466.46
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50030120
(S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic acid 3-trifluoromethyl-benzyl ester
Inchi KeyBYQRFLXQLXLHND-QHCPKHFHSA-N
Inchi IDInChI=1S/C26H21F3N2O3/c27-26(28,29)20-10-6-7-17(13-20)16-34-25(33)23(31-24(32)18-8-2-1-3-9-18)14-19-15-30-22-12-5-4-11-21(19)22/h1-13,15,23,30H,14,16H2,(H,31,32)/t23-/m0/s1
PubChem CID10389807
ChEMBLCHEMBL26336
IUPHARN/A
BindingDB50030120
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
36008Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
36006Substance-K receptorP21452TACR2Homo sapiens (Human)398
36007Substance-P receptorP25103TACR1Homo sapiens (Human)407

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