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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

NameCHEMBL53490
Molecular formulaC14H15N5
IUPAC name7-piperazin-1-yl-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
Molecular weight253.309
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.9
SynonymsSCHEMBL8564875
6-Piperazinopyrido[3,2-e]pyrrolo[1,2-a]pyrazine
BDBM50408171
Inchi KeyBBZRRZHQHYRCIA-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H15N5/c1-3-11-13(16-5-1)19-8-2-4-12(19)14(17-11)18-9-6-15-7-10-18/h1-5,8,15H,6-7,9-10H2
PubChem CID10753377
ChEMBLCHEMBL53490
IUPHARN/A
BindingDB50408171
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
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GLASS IDNameUniProtGeneSpeciesLength
199915-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
199935-hydroxytryptamine receptor 1BP28564Htr1bRattus norvegicus (Rat)386
199925-hydroxytryptamine receptor 1DP79400HTR1DSus scrofa (Pig)291
199955-hydroxytryptamine receptor 2AQ75Z89HTR2ABos taurus (Bovine)470
199945-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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