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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

NameCHEMBL62445
Molecular formulaC19H18N4S
IUPAC name4-phenyl-8-piperazin-1-yl-3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene
Molecular weight334.441
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.3
SynonymsSCHEMBL7306033
BDBM50407787
Inchi KeyDYFVORIBDGMRNZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18N4S/c1-2-5-14(6-3-1)17-13-15-19(24-17)23-10-4-7-16(23)18(21-15)22-11-8-20-9-12-22/h1-7,10,13,20H,8-9,11-12H2
PubChem CID10568745
ChEMBLCHEMBL62445
IUPHARN/A
BindingDB50407787
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
719605-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
719625-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
719635-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
719615-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
719645-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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