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Ligand

NameCHEMBL39835
Molecular formulaC14H11FN2O3S
IUPAC name2-[5-[(4-fluorophenyl)carbamoyl]pyridin-2-yl]sulfanylacetic acid
Molecular weight306.311
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.2
SynonymsSCHEMBL5845286
AIDNQXLLHNXJPG-UHFFFAOYSA-N
BDBM50113636
[5-(4-fluorophenylcarbamoyl)pyridin-2-ylsulfanyl]acetic acid
[5-(4-Fluoro-phenylcarbamoyl)-pyridin-2-ylsulfanyl]-acetic acid
Inchi KeyAIDNQXLLHNXJPG-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H11FN2O3S/c15-10-2-4-11(5-3-10)17-14(20)9-1-6-12(16-7-9)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)
PubChem CID10018018
ChEMBLCHEMBL39835
IUPHARN/A
BindingDB50113636
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
6117C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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