SEQ2FUN

BioLiP

PDB CCD ID: 8SK
Number of entries in BioLiP: 4
Chemical formula: C20 H12 O
InChI: InChI=1S/C20H12O/c21-18-10-7-12-5-8-16-15-4-2-1-3-13(15)11-14-6-9-17(18)19(12)20(14)16/h1-11,21H
InChIKey: SPUUWWRWIAEPDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cc3ccc4c(ccc5c4c3c2cc5)O
CACTVS 3.385Oc1ccc2ccc3c4ccccc4cc5ccc1c2c35
Name:benzo[a]pyren-3-ol
ChEMBL: CHEMBL8020
ZINC: ZINC000002558837
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).