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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

NameAC1MBNUZ
Molecular formulaC19H21ClN2O5S
IUPAC name1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
Molecular weight424.896
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.6
SynonymsHMS3012L03
1-[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethan-1-one
MolPort-004-101-030
AB00735725-01
ZINC3609782
[ Show all ]
Inchi KeyACROIKWQTOUGLQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21ClN2O5S/c1-26-17-4-2-3-5-18(17)27-14-19(23)21-10-12-22(13-11-21)28(24,25)16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3
PubChem CID2710681
ChEMBLCHEMBL1476145
IUPHARN/A
BindingDBN/A
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
463165Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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