BioLiP

PDB

BioLiP

PDB CCD ID:

LZ8

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.352	Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3ccccc3)cc1
OpenEye OEToolkits 1.6.1	c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc(cc3)F
ACDLabs 10.04	O=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, Lydia 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).