Reaction Details  Report a problem with these data
Target
Spermine synthase
Ligand
BDBM50095450
Substrate
n/a
Meas. Tech.
ChEMBL_223918 (CHEMBL845254)
IC50
50±n/a nM
Citation
 Casero, RA; Woster, PM Terminally alkylated polyamine analogues as chemotherapeutic agents. J Med Chem 44:1-26 (2001) [PubMed]
Target
Name:
Spermine synthase
Synonyms:
SMS | SPMSY | SPSY_HUMAN | Spermidine aminopropyltransferase
Type:
PROTEIN
Mol. Mass.:
41254.14
Organism:
Homo sapiens (Human)
Description:
ChEMBL_223918
Residue:
366
Sequence:
MAAARHSTLDFMLGAKADGETILKGLQSIFQEQGMAESVHTWQDHGYLATYTNKNGSFANLRIYPHGLVLLDLQSYDGDAQGKEEIDSILNKVEERMKELSQDSTGRVKRLPPIVRGGAIDRYWPTADGRLVEYDIDEVVYDEDSPYQNIKILHSKQFGNILILSGDVNLAESDLAYTRAIMGSGKEDYTGKDVLILGGGDGGILCEIVKLKPKMVTMVEIDQMVIDGCKKYMRKTCGDVLDNLKGDCYQVLIEDCIPVLKRYAKEGREFDYVINDLTAVPISTSPEEDSTWEFLRLILDLSMKVLKQDGKYFTQGNCVNLTEALSLYEEQLGRLYCPVEFSKEIVCVPSYLELWVFYTVWKKAKP
  
Inhibitor
Name:
BDBM50095450
Synonyms:
2-[6-Amino-1-(2-amino-ethyl)-hexylsulfanylmethyl]-5-(6-amino-purin-9-yl)-tetrahydro-furan-3,4-diol | CHEMBL330673
Type:
Small organic molecule
Emp. Form.:
C18H31N7O3S
Mol. Mass.:
425.549
SMILES:
NCCCCCC(CCN)SC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Structure:
Search PDB for entries with ligand similarity: