SEQ2FUN

BioLiP

PDB CCD ID: 4AN
Number of entries in BioLiP: 1
Chemical formula: C12 H8 N2 O2
InChI: InChI=1S/C12H8N2O2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,13H2,(H,14,15,16)
InChIKey: SSMIFVHARFVINF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc2c(ccc3c2c(c1)C(=O)NC3=O)N
CACTVS 3.341Nc1ccc2C(=O)NC(=O)c3cccc1c23
ACDLabs 10.04O=C2c1c3c(c(cc1)N)cccc3C(=O)N2
Name:6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-DIONE;
4-AMINO-1,8-NAPHTHALIMIDE
ChEMBL: CHEMBL338790
DrugBank: DB07096
ZINC: ZINC000000008558
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).