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Ligand

NameCHEMBL282728
Molecular formulaC26H24N2O4
IUPAC name(4-methoxyphenyl)methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
Molecular weight428.488
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50030141
(S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic acid 4-methoxy-benzyl ester
Inchi KeyAYWZDQSVYRGCLX-DEOSSOPVSA-N
Inchi IDInChI=1S/C26H24N2O4/c1-31-21-13-11-18(12-14-21)17-32-26(30)24(28-25(29)19-7-3-2-4-8-19)15-20-16-27-23-10-6-5-9-22(20)23/h2-14,16,24,27H,15,17H2,1H3,(H,28,29)/t24-/m0/s1
PubChem CID10410322
ChEMBLCHEMBL282728
IUPHARN/A
BindingDB50030141
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17861Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465
17863Substance-K receptorP21452TACR2Homo sapiens (Human)398
17862Substance-P receptorP25103TACR1Homo sapiens (Human)407

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