SEQ2FUN

BioLiP

PDB CCD ID: A1LVL
Number of entries in BioLiP: 8
Chemical formula: C19 H15 Cl N4 O
InChI: InChI=1S/C19H15ClN4O/c1-23-10-22-17-18(23)13-7-6-12(20)9-15(13)24(19(17)25)14-3-2-8-21-16(14)11-4-5-11/h2-3,6-11H,4-5H2,1H3
InChIKey: FELOKFNJXFDCKP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cnc2C(=O)N(c3cccnc3C4CC4)c5cc(Cl)ccc5c12
OpenEye OEToolkits 2.0.7Cn1cnc2c1-c3ccc(cc3N(C2=O)c4cccnc4C5CC5)Cl
Name:7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-1-methyl-imidazo[4,5-c]quinolin-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).