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Ligand

NameCHEMBL118328
Molecular formulaC20H22N4O2
IUPAC name(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanamide
Molecular weight350.422
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP0.8
SynonymsBDBM50289293
1N-[1-carbamoyl-2-phenyl-(1S)-ethyl]-2-amino-3-(1H-3-indolyl)-(2S)-propanamide
Inchi KeyCIZAZGNGSGBRIV-WMZOPIPTSA-N
Inchi IDInChI=1S/C20H22N4O2/c21-16(11-14-12-23-17-9-5-4-8-15(14)17)20(26)24-18(19(22)25)10-13-6-2-1-3-7-13/h1-9,12,16,18,23H,10-11,21H2,(H2,22,25)(H,24,26)/t16-,18-/m0/s1
PubChem CID44345938
ChEMBLCHEMBL118328
IUPHARN/A
BindingDB50289293
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
43090Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
43089Substance-P receptorP25103TACR1Homo sapiens (Human)407

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