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Ligand

NameMLS000693296
Molecular formulaC21H15BrN4O2S
IUPAC name4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
Molecular weight467.341
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsSMR000300439
4-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic Acid
4-({[4-(4-bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}methyl)benzoic acid
AC1LOLKP
CBKinase1_009226
[ Show all ]
Inchi KeyABTVZXUHGLILMC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H15BrN4O2S/c22-17-7-9-18(10-8-17)26-19(16-2-1-11-23-12-16)24-25-21(26)29-13-14-3-5-15(6-4-14)20(27)28/h1-12H,13H2,(H,27,28)
PubChem CID1242321
ChEMBLCHEMBL1492247
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
463098Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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