SEQ2FUN

BioLiP

PDB CCD ID: YMW
Number of entries in BioLiP: 1
Chemical formula: C17 H13 Cl N4 O
InChI: InChI=1S/C17H13ClN4O/c1-2-21-10-14-13-6-5-11(18)8-15(13)22(17(23)16(14)20-21)12-4-3-7-19-9-12/h3-10H,2H2,1H3
InChIKey: HTOSXLRRHMIOAU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCn1cc2c3ccc(Cl)cc3N(C(=O)c2n1)c4cccnc4
OpenEye OEToolkits 2.0.7CCn1cc-2c(n1)C(=O)N(c3c2ccc(c3)Cl)c4cccnc4
Name:7-chloranyl-2-ethyl-5-pyridin-3-yl-pyrazolo[3,4-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).