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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

NameCHEMBL299097
Molecular formulaC21H21N5
IUPAC name12-(4-prop-2-enylpiperazin-1-yl)-6,11,17-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
Molecular weight343.434
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.0
SynonymsBDBM50408170
8-(4-Allyl-1-piperazinyl)pyrido[2,3-h]pyrrolo[1,2-a]quinoxaline
Inchi KeyILDJOTZORZWBSP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N5/c1-2-10-24-12-14-25(15-13-24)21-19-6-4-11-26(19)20-16-5-3-9-22-17(16)7-8-18(20)23-21/h2-9,11H,1,10,12-15H2
PubChem CID10569395
ChEMBLCHEMBL299097
IUPHARN/A
BindingDB50408170
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1358875-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
1358885-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
1358895-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
1358905-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
1358865-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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