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BioLiP

PDB CCD ID: EWG
Number of entries in BioLiP: 4
Chemical formula: C10 H8 N2 O2
InChI: InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)
InChIKey: BXSUQWZHUHROLP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(cnnc1)c2cc(C(O)=O)ccc2
OpenEye OEToolkits 2.0.6c1cc(cc(c1)C(=O)O)c2c[nH]nc2
CACTVS 3.385OC(=O)c1cccc(c1)c2c[nH]nc2
Name:3-(1H-pyrazol-4-yl)benzoic acid
ChEMBL: CHEMBL4214963
ZINC: ZINC000004294283
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)(download the PDF file).
  • 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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