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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL263141
Molecular formulaC23H35N7O5
IUPAC nameethyl 3-[4-[5-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]tetrazol-1-yl]butanoylamino]propanoate
Molecular weight489.577
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP-0.5
SynonymsBDBM50376763
Inchi KeyBGFXGXAMAQIXQO-GOSISDBHSA-N
Inchi IDInChI=1S/C23H35N7O5/c1-4-35-20(32)12-13-25-19(31)11-8-14-30-21(27-28-29-30)18(26-22(33)23(2,3)24)16-34-15-17-9-6-5-7-10-17/h5-7,9-10,18H,4,8,11-16,24H2,1-3H3,(H,25,31)(H,26,33)/t18-/m1/s1
PubChem CID44450071
ChEMBLCHEMBL263141
IUPHARN/A
BindingDB50376763
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
22955Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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