SEQ2FUN

BioLiP

PDB CCD ID: P8A
Number of entries in BioLiP: 1
Chemical formula: C8 H12 N2 O2
InChI: InChI=1S/C8H12N2O2/c1-2-3-4-6-5-7(8(11)12)10-9-6/h5H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKey: ZJTXSGLJNBAMJS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCc1cc(n[nH]1)C(=O)O
CACTVS 3.385CCCCc1[nH]nc(c1)C(O)=O
Name:5-butyl-1~{H}-pyrazole-3-carboxylic acid
ChEMBL: CHEMBL428730
ZINC: ZINC000004386887
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).