SEQ2FUN

BioLiP

PDB CCD ID: 2OH
Number of entries in BioLiP: 13
Chemical formula: C15 H16 O2
InChI: InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
InChIKey: IISBACLAFKSPIT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc1ccc(cc1)C(c2ccc(O)cc2)(C)C
OpenEye OEToolkits 1.5.0CC(C)(c1ccc(cc1)O)c2ccc(cc2)O
CACTVS 3.341CC(C)(c1ccc(O)cc1)c2ccc(O)cc2
Name:4,4'-PROPANE-2,2-DIYLDIPHENOL;
4,4'-ISOPROPYLIDENEDIPHENOL;
BISPHENOL A
ChEMBL: CHEMBL418971
DrugBank: DB06973
ZINC: ZINC000000056434
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).