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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL310645
Molecular formulaC26H37N3O4S
IUPAC namemethyl N-[1-[(3S)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-N-ethylcarbamate
Molecular weight487.659
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50104271
{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-ethyl-carbamic acid methyl ester
Inchi KeyAWHDRJBXLAKQNX-HSZRJFAPSA-N
Inchi IDInChI=1S/C26H37N3O4S/c1-4-29(26(30)33-3)24-16-19-28(20-17-24)18-15-23(22-11-7-5-8-12-22)21-27(2)34(31,32)25-13-9-6-10-14-25/h5-14,23-24H,4,15-21H2,1-3H3/t23-/m1/s1
PubChem CID44461513
ChEMBLCHEMBL310645
IUPHARN/A
BindingDB50104271
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
16015C-C chemokine receptor type 5P51681CCR5Homo sapiens (Human)352

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