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BioLiP

PDB CCD ID: 7O4
Number of entries in BioLiP: 2
Chemical formula: C8 H6 N2 O3
InChI: InChI=1S/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)
InChIKey: GKPSFQIKCROJOB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1[nH]nc(c1)c2occc2
OpenEye OEToolkits 2.0.6c1cc(oc1)c2cc([nH]n2)C(=O)O
ACDLabs 12.01c1c(occ1)c2nnc(c2)C(=O)O
Name:3-(furan-2-yl)-1H-pyrazole-5-carboxylic acid
ChEMBL: CHEMBL1502137
ZINC: ZINC000004692723
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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