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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

NameCHEMBL1999105
Molecular formulaC22H20ClN3O3
IUPAC nametert-butyl 2-[5-chloro-2-(naphthalen-1-ylmethyl)-3-oxopyridazin-4-yl]-2-cyanoacetate
Molecular weight409.87
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.8
SynonymsSR-02000001313
SR-02000001313-1
Inchi KeyBPPNLGVJSMFVTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H20ClN3O3/c1-22(2,3)29-21(28)17(11-24)19-18(23)12-25-26(20(19)27)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10,12,17H,13H2,1-3H3
PubChem CID53257024
ChEMBLCHEMBL1999105
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
29771Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
29770Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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