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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

NameCHEMBL1076586
Molecular formulaC26H23N3O2
IUPAC name[4-(1H-indole-6-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
Molecular weight409.489
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP4.1
Synonyms351858-51-0
Peakdale1_001536
BDBM50312770
ZINC1501732
HMS522F18
[ Show all ]
Inchi KeyAPHXKHUFVKITGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H23N3O2/c30-25(22-9-6-20(7-10-22)19-4-2-1-3-5-19)28-14-16-29(17-15-28)26(31)23-11-8-21-12-13-27-24(21)18-23/h1-13,18,27H,14-17H2
PubChem CID3676358
ChEMBLCHEMBL1076586
IUPHARN/A
BindingDB50312770
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: 11
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
109885-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
109905-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
10985Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
10986D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
10994D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
10989Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366
10991Growth hormone secretagogue receptor type 1O08725GhsrRattus norvegicus (Rat)364
10995Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
10993Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
10987Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
10992Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590

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