SEQ2FUN

BioLiP

PDB CCD ID: KB0
Number of entries in BioLiP: 1
Chemical formula: C22 H18 O2
InChI: InChI=1S/C22H18O2/c1-14-11-18(24)12-21-19(14)13-20(15-7-9-17(23)10-8-15)22(21)16-5-3-2-4-6-16/h2-12,23-24H,13H2,1H3
InChIKey: KXVQYSIZQKFFIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1cc(cc2c1CC(=C2c3ccccc3)c4ccc(cc4)O)O
CACTVS 3.385Cc1cc(O)cc2c1CC(=C2c3ccccc3)c4ccc(O)cc4
ACDLabs 12.01c3(c2CC(c1ccc(cc1)O)=C(c2cc(c3)O)c4ccccc4)C
Name:2-(4-hydroxyphenyl)-7-methyl-3-phenyl-1H-inden-5-ol;
KB095285
ZINC: ZINC000165887396
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).