SEQ2FUN

BioLiP

PDB CCD ID: ANM
Number of entries in BioLiP: 0
Chemical formula: C14 H19 N O4
InChI: InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1
InChIKey: YKJYKKNCCRKFSL-RDBSUJKOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)OC1C(CNC1Cc2ccc(cc2)OC)O
CACTVS 3.341COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
ACDLabs 10.04O=C(OC1C(NCC1O)Cc2ccc(OC)cc2)C
OpenEye OEToolkits 1.5.0CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OC)O
CACTVS 3.341COc1ccc(C[CH]2NC[CH](O)[CH]2OC(C)=O)cc1
Name:ANISOMYCIN
ChEMBL: CHEMBL423192
DrugBank: DB07374
ZINC: ZINC000000000954
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).