SEQ2FUN

BioLiP

PDB CCD ID: QZ2
Number of entries in BioLiP: 2
Chemical formula: C8 H8 N4 O2
InChI: InChI=1S/C8H8N4O2/c1-12-4-5(3-9-12)6-2-7(8(13)14)11-10-6/h2-4H,1H3,(H,10,11)(H,13,14)
InChIKey: SQTWDTBKAUXKHZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(cn1)c2cc([nH]n2)C(O)=O
OpenEye OEToolkits 2.0.7Cn1cc(cn1)c2cc([nH]n2)C(=O)O
Name:3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid
ChEMBL: CHEMBL5071361
ZINC: ZINC000006445039

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).