BioLiP

PDB

BioLiP

PDB CCD ID:

KYD

Number of entries in BioLiP:

Chemical formula:

C6 H8 N2 O2

InChI:

InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10)

InChIKey:

IOOWDXMXZBYKLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	Cc1c(c(n[nH]1)C)C(=O)O
CACTVS 3.385	Cc1[nH]nc(C)c1C(O)=O

Name:

3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID

ZINC:

ZINC000000158520

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).