SEQ2FUN

BioLiP

PDB CCD ID: KPT
Number of entries in BioLiP: 0
Chemical formula: C19 H14 N O4
InChI: InChI=1S/C19H14NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-8H,3-4,9-10H2/q+1
InChIKey: XYHOBCMEDLZUMP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO6)OCO2
ACDLabs 12.01O1c3c(OC1)c2c[n+]6c(cc2cc3)c5cc4OCOc4cc5CC6
CACTVS 3.370C1Oc2cc3CC[n+]4cc5c6OCOc6ccc5cc4c3cc2O1
Name:6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium;
Coptisine
ChEMBL: CHEMBL362071
ZINC: ZINC000001709414
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).