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BioLiP

PDB CCD ID: D4W
Number of entries in BioLiP: 1
Chemical formula: C15 H11 Cl N2 O2
InChI: InChI=1S/C15H11ClN2O2/c16-12-3-1-2-4-14(12)18-13(7-8-17-18)11-6-5-10(19)9-15(11)20/h1-9,19-20H
InChIKey: NXZPXDLYOVGQMR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(c(O)c1)c2ccnn2c3ccccc3Cl
OpenEye OEToolkits 2.0.6c1ccc(c(c1)n2c(ccn2)c3ccc(cc3O)O)Cl
Name:4-[2-(2-chlorophenyl)pyrazol-3-yl]benzene-1,3-diol
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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