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Ligand

NameMLS000684823
Molecular formulaC18H14BrClN2O4
IUPAC namemethyl 1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate
Molecular weight437.674
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsMLS-0289945.0001
HMS2595I15
Opera_ID_247
BIM-0044053.P001
methyl 1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate
[ Show all ]
Inchi KeySQBIDZGSWLVWJR-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H14BrClN2O4/c1-26-17(24)15-10-18(25,12-5-7-14(20)8-6-12)22(21-15)16(23)11-3-2-4-13(19)9-11/h2-9,25H,10H2,1H3
PubChem CID2884240
ChEMBLCHEMBL1406895
IUPHARN/A
BindingDB70948
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
320449Apelin receptorP35414APLNRHomo sapiens (Human)380
320450C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
320451C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372
320452Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
502470Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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