SEQ2FUN

BioLiP

PDB CCD ID: 451
Number of entries in BioLiP: 1
Chemical formula: C22 H27 N O7
InChI: InChI=1S/C22H27NO7/c1-17(24)23-18-6-7-21-22(16-18)30-15-11-26-9-13-28-20-5-3-2-4-19(20)27-12-8-25-10-14-29-21/h2-7,16H,8-15H2,1H3,(H,23,24)
InChIKey: YHKGWOJTUMJPNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(Nc2ccc1OCCOCCOc3ccccc3OCCOCCOc1c2)C
OpenEye OEToolkits 1.5.0CC(=O)Nc1ccc2c(c1)OCCOCCOc3ccccc3OCCOCCO2
CACTVS 3.341CC(=O)Nc1ccc2OCCOCCOc3ccccc3OCCOCCOc2c1
Name:N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-2-yl)acetamide;
N-(Dibenzo-18-crown-6-ether)-acetamide
DrugBank: DB07084
ZINC: ZINC000004257041
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).