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BioLiP

PDB CCD ID: D7F
Number of entries in BioLiP: 1
Chemical formula: C23 H26 N2 O4
InChI: InChI=1S/C23H26N2O4/c1-5-25(6-2)11-12-28-16-7-9-19-15(13-16)14-18-21-17(23(26)24(18)3)8-10-20(27-4)22(21)29-19/h7-10,13-14H,5-6,11-12H2,1-4H3
InChIKey: GATTUJGPZVMLAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN(CC)CCOc1ccc2c(c1)C=C3c4c(ccc(c4O2)OC)C(=O)N3C
CACTVS 3.385CCN(CC)CCOc1ccc2Oc3c(OC)ccc4C(=O)N(C)C(=Cc2c1)c34
Name:6-[2-(diethylamino)ethoxy]-16-methoxy-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, Peter L 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).

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