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BioLiP

PDB CCD ID: LZ8
Number of entries in BioLiP: 1
Chemical formula: C17 H13 F N4 O2
InChI: InChI=1S/C17H13FN4O2/c18-12-6-8-13(9-7-12)20-17(24)15-14(10-19-22-15)21-16(23)11-4-2-1-3-5-11/h1-10H,(H,19,22)(H,20,24)(H,21,23)
InChIKey: ZMWYSLJBNJUCRK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3ccccc3)cc1
OpenEye OEToolkits 1.6.1c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F
ACDLabs 10.04O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)c3ccccc3
Name:N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXAMIDE
ChEMBL: CHEMBL463580
DrugBank: DB08137
ZINC: ZINC000016052860
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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