SEQ2FUN

BioLiP

PDB CCD ID: GOJ
Number of entries in BioLiP: 7
Chemical formula: C6 H8 N2 O2
InChI: InChI=1S/C6H8N2O2/c1-2-10-6(9)5-3-7-8-4-5/h3-4H,2H2,1H3,(H,7,8)
InChIKey: KACZQOKEFKFNDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.6		CCOC(=O)c1c[nH]nc1
Name:ethyl 1~{H}-pyrazole-4-carboxylate
ChEMBL: CHEMBL4461273
ZINC: ZINC000000409316
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).