SEQ2FUN

BioLiP

PDB CCD ID: HZO
Number of entries in BioLiP: 1
Chemical formula: C19 H17 N O
InChI: InChI=1S/C19H17NO/c1-19(2)9-14-15(17(21)10-19)11-20-16-8-7-12-5-3-4-6-13(12)18(14)16/h3-8,11H,9-10H2,1-2H3
InChIKey: VFHPHBGZIZTJDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(Cc2c(cnc3c2c4ccccc4cc3)C(=O)C1)C
CACTVS 3.385CC1(C)CC(=O)c2cnc3ccc4ccccc4c3c2C1
Name:2,2-dimethyl-1,3-dihydrobenzo[a]phenanthridin-4-one
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).