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BioLiP Library

PDB CCD ID: JF5
Number of entries in BioLiP: 6
Chemical formula: C11 H10 N2 O2
InChI: InChI=1S/C11H10N2O2/c14-11(10-6-12-13-7-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13)
InChIKey: OZQCSFKTURXPAA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)COC(=O)c2c[nH]nc2
CACTVS 3.385O=C(OCc1ccccc1)c2c[nH]nc2
Name:(phenylmethyl) 1~{H}-pyrazole-4-carboxylate
ChEMBL: CHEMBL4536428
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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