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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

NameCHEMBL292293
Molecular formulaC13H13N3OS
IUPAC name4-(3-thia-1,7-diazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-8-yl)morpholine
Molecular weight259.327
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.0
SynonymsBDBM50407765
5-(Morpholine-4-yl)-1-thia-4,8a-diaza-as-indacene
Inchi KeyMQRSAESBFCOHPH-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H13N3OS/c1-2-11-12(15-5-7-17-8-6-15)14-10-3-9-18-13(10)16(11)4-1/h1-4,9H,5-8H2
PubChem CID10777682
ChEMBLCHEMBL292293
IUPHARN/A
BindingDB50407765
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
2119545-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
2119535-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
2119525-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
2119565-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
2119555-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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