SEQ2FUN

BioLiP

PDB CCD ID: AKE
Number of entries in BioLiP: 2
Chemical formula: C22 H28 N4 O4
InChI: InChI=1S/C22H28N4O4/c27-13-11-23-7-9-25-17-5-6-18(26-10-8-24-12-14-28)20-19(17)21(29)15-3-1-2-4-16(15)22(20)30/h1-6,23-28H,7-14H2
InChIKey: FFGSXKJJVBXWCY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)NCCNCCO)NCCNCCO
CACTVS 3.370OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3ccccc3C(=O)c12
ACDLabs 12.01O=C2c1ccccc1C(=O)c3c2c(ccc3NCCNCCO)NCCNCCO
Name:1,4-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione;
ametantrone
ChEMBL: CHEMBL49442
ZINC: ZINC000003871513
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).