SEQ2FUN

BioLiP

PDB CCD ID: A1CEP
Number of entries in BioLiP: 8
Chemical formula: C18 H15 N3 O3
InChI: InChI=1S/C18H15N3O3/c1-23-12-5-3-11(4-6-12)21-18(22)15-10-19-16-9-13(24-2)7-8-14(16)17(15)20-21/h3-10,20H,1-2H3
InChIKey: CGOOCGJMECBDCB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COc1ccc(cc1)N2C(=O)c3cnc4cc(ccc4c3N2)OC
CACTVS 3.385COc1ccc(cc1)N2Nc3c(cnc4cc(OC)ccc34)C2=O
ACDLabs 14.52COc1ccc(cc1)N1Nc2c(cnc3cc(OC)ccc32)C1=O
Name:7-methoxy-2-(4-methoxyphenyl)-1,2-dihydro-3H-pyrazolo[4,3-c]quinolin-3-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).