BioLiP

PDB

BioLiP

PDB CCD ID:

1DZ

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O2

InChI:

InChI=1S/C17H14N2O2/c1-12-6-5-9-14(10-12)19-16(11-15(18-19)17(20)21)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)

InChIKey:

XDKDJRWOHMIRGN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	Cc1cccc(c1)n2nc(cc2c3ccccc3)C(O)=O
ACDLabs 12.01	O=C(O)c2nn(c1cccc(c1)C)c(c2)c3ccccc3
OpenEye OEToolkits 1.7.6	Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3

Name:

1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid

ChEMBL:

CHEMBL3088227

ZINC:

ZINC000005022756

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).