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Ligand

NameCHEMBL3342311
Molecular formulaC20H15FN2O3S
IUPAC name2-[[5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl]sulfanylmethyl]benzoic acid
Molecular weight382.409
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.7
SynonymsUS8981106, 24
BDBM150835
N-(4-Fluorophenyl)-6-(2-carboxybenzylthio)nicotinamide
Inchi KeyAXXQRZSDTMJHHP-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15FN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11H,12H2,(H,23,24)(H,25,26)
PubChem CID46897449
ChEMBLCHEMBL3342311
IUPHARN/A
BindingDB150835
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
442340C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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