SEQ2FUN

BioLiP

PDB CCD ID: W62
Number of entries in BioLiP: 2
Chemical formula: C20 H12
InChI: InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
InChIKey: FMMWHPNWAFZXNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5
CACTVS 3.385c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
Name:benzo[a]pyrene
ChEMBL: CHEMBL31184
ZINC: ZINC000001530818
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).