SEQ2FUN

BioLiP

PDB CCD ID: D6R
Number of entries in BioLiP: 1
Chemical formula: C18 H15 N O4
InChI: InChI=1S/C18H15NO4/c1-19-13-9-10-8-11(21-2)4-6-14(10)23-17-15(22-3)7-5-12(16(13)17)18(19)20/h4-9H,1-3H3
InChIKey: CPSNNZXFCXOACL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1C2=Cc3cc(ccc3Oc4c2c(ccc4OC)C1=O)OC
CACTVS 3.385COc1ccc2Oc3c(OC)ccc4C(=O)N(C)C(=Cc2c1)c34
Name:6,16-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),3,5,7,9,13,15-heptaen-12-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).