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BioLiP

PDB CCD ID: 1DZ
Number of entries in BioLiP: 3
Chemical formula: C17 H14 N2 O2
InChI: InChI=1S/C17H14N2O2/c1-12-6-5-9-14(10-12)19-16(11-15(18-19)17(20)21)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)
InChIKey: XDKDJRWOHMIRGN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1cccc(c1)n2nc(cc2c3ccccc3)C(O)=O
ACDLabs 12.01O=C(O)c2nn(c1cccc(c1)C)c(c2)c3ccccc3
OpenEye OEToolkits 1.7.6Cc1cccc(c1)n2c(cc(n2)C(=O)O)c3ccccc3
Name:1-(3-methylphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
ChEMBL: CHEMBL3088227
ZINC: ZINC000005022756
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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