SEQ2FUN

BioLiP

PDB CCD ID: 5G6
Number of entries in BioLiP: 2
Chemical formula: C19 H15 N O2
InChI: InChI=1S/C19H15NO2/c21-17-10-6-14(7-11-17)19(15-8-12-18(22)13-9-15)20-16-4-2-1-3-5-16/h1-13,21-22H
InChIKey: MGFIKZPNBCCIOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1ccc(cc1)N=C(c2ccc(cc2)O)c3ccc(cc3)O
CACTVS 3.385Oc1ccc(cc1)C(=Nc2ccccc2)c3ccc(O)cc3
ACDLabs 12.01Oc3ccc(\C(=N/c1ccccc1)c2ccc(O)cc2)cc3
Name:4,4'-(phenylcarbonimidoyl)diphenol
ChEMBL: CHEMBL3234612
ZINC: ZINC000169310315
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).