SEQ2FUN

BioLiP

PDB CCD ID: 12B
Number of entries in BioLiP: 4
Chemical formula: C11 H7 N O
InChI: InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
InChIKey: GPYLCFQEKPUWLD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O=C1Nc2cccc3cccc1c23
OpenEye OEToolkits 1.5.0c1cc2cccc3c2c(c1)C(=O)N3
ACDLabs 10.04O=C3c2cccc1cccc(c12)N3
Name:BENZO[CD]INDOL-2(1H)-ONE
ChEMBL: CHEMBL217045
ZINC: ZINC000000162129
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).