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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 CASP14

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Ligand

NameCHEMBL1982451
Molecular formulaC24H15ClN4O
IUPAC name2-[[5-chloro-2-(naphthalen-1-ylmethyl)-3-oxopyridazin-4-yl]-cyanomethyl]benzonitrile
Molecular weight410.861
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.1
SynonymsSR-02000001306
SR-02000001306-1
Inchi KeyCNTXOKFFKSQEJL-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H15ClN4O/c25-22-14-28-29(15-18-9-5-8-16-6-1-3-10-19(16)18)24(30)23(22)21(13-27)20-11-4-2-7-17(20)12-26/h1-11,14,21H,15H2
PubChem CID53257020
ChEMBLCHEMBL1982451
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
46323Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
46324Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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