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BioLiP

PDB CCD ID: 5G4
Number of entries in BioLiP: 2
Chemical formula: C20 H17 N O3
InChI: InChI=1S/C20H17NO3/c1-13-4-2-3-5-18(13)21-20(14-6-8-15(22)9-7-14)17-11-10-16(23)12-19(17)24/h2-12,22-24H,1H3/b21-20+
InChIKey: VXKQHCLQGKBGDO-QZQOTICOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1ccccc1N=C(c2ccc(cc2)O)c3ccc(cc3O)O
CACTVS 3.385Cc1ccccc1N=C(c2ccc(O)cc2)c3ccc(O)cc3O
OpenEye OEToolkits 1.9.2Cc1ccccc1/N=C(\c2ccc(cc2)O)/c3ccc(cc3O)O
ACDLabs 12.01Oc3ccc(/C(c1c(cc(cc1)O)O)=N\c2c(C)cccc2)cc3
Name:4-{(E)-(4-hydroxyphenyl)[(2-methylphenyl)imino]methyl}benzene-1,3-diol
ChEMBL: CHEMBL3234627
ZINC: ZINC000169310733
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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