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BioLiP Library

PDB CCD ID: 0WS
Number of entries in BioLiP: 3
Chemical formula: C9 H7 N3 O2
InChI: InChI=1S/C9H7N3O2/c13-9(14)6-1-3-10-8(5-6)7-2-4-11-12-7/h1-5H,(H,11,12)(H,13,14)
InChIKey: NTNYOLXCVCDWFY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c[nH]nc1c2cc(ccn2)C(=O)O
CACTVS 3.370OC(=O)c1ccnc(c1)c2cc[nH]n2
ACDLabs 12.01O=C(O)c2ccnc(c1nncc1)c2
Name:2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid
ZINC: ZINC000082391106
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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