SEQ2FUN

BioLiP

PDB CCD ID: A1IUV
Number of entries in BioLiP: 2
Chemical formula: C20 H19 N3 O2
InChI: InChI=1S/C20H19N3O2/c1-23(2)10-9-21-20-18-17(13-5-3-4-6-14(13)19(18)25)15-8-7-12(24)11-16(15)22-20/h3-8,11,24H,9-10H2,1-2H3,(H,21,22)
InChIKey: ROWSTIYZUWEOMM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(C)CCNc1c2c(c3ccc(cc3n1)O)-c4ccccc4C2=O
CACTVS 3.385CN(C)CCNc1nc2cc(O)ccc2c3c4ccccc4C(=O)c13
Name:6-[2-(dimethylamino)ethylamino]-3-oxidanyl-indeno[2,1-c]quinolin-7-one
ChEMBL: CHEMBL488755
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).