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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

NameUS8933079, 7.13
Molecular formulaC24H25ClN4O4
IUPAC name5-[(5-chloropyridin-2-yl)methoxy]-2-[2-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-2-methylphenyl]-2-oxoethyl]pyridazin-3-one
Molecular weight468.938
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP1.9
SynonymsCHEMBL3686836
BDBM142203
US8933079, 7.12
Inchi KeyAHSZWDWETAJGMP-FQEVSTJZSA-N
Inchi IDInChI=1S/C24H25ClN4O4/c1-16-8-17(12-28-7-6-20(30)13-28)2-5-22(16)23(31)14-29-24(32)9-21(11-27-29)33-15-19-4-3-18(25)10-26-19/h2-5,8-11,20,30H,6-7,12-15H2,1H3/t20-/m0/s1
PubChem CID91759584
ChEMBLCHEMBL3686836
IUPHARN/A
BindingDB142203
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
463590Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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