Reaction Details Report a problem with these data
Target
Adenosylhomocysteinase
Ligand
BDBM50006222
Substrate
n/a
Meas. Tech.
ChEMBL_1362082 (CHEMBL3294635)
IC50
1.5±n/a nM
Citation
Converso, A; Hartingh, T; Fraley, ME; Garbaccio, RM; Hartman, GD; Huang, SY; Majercak, JM; McCampbell, A; Na, SJ; Ray, WJ; Savage, MJ; Wolffe, C; Yeh, S; Yu, Y; White, R; Zhang, R Adenosine analogue inhibitors of S-adenosylhomocysteine hydrolase. Bioorg Med Chem Lett 24:2737-40 (2014) [PubMed] Article
More Info.:
Target
Name:
Adenosylhomocysteinase
Synonyms:
AHCY | Adenosylhomocysteinase | SAHH | SAHH_HUMAN
Type:
PROTEIN
Mol. Mass.:
47714.06
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1507791
Residue:
432
Sequence:
MSDKLPYKVADIGLAAWGRKALDIAENEMPGLMRMRERYSASKPLKGARIAGCLHMTVETAVLIETLVTLGAEVQWSSCNIFSTQDHAAAAIAKAGIPVYAWKGETDEEYLWCIEQTLYFKDGPLNMILDDGGDLTNLIHTKYPQLLPGIRGISEETTTGVHNLYKMMANGILKVPAINVNDSVTKSKFDNLYGCRESLIDGIKRATDVMIAGKVAVVAGYGDVGKGCAQALRGFGARVIITEIDPINALQAAMEGYEVTTMDEACQEGNIFVTTTGCIDIILGRHFEQMKDDAIVCNIGHFDVEIDVKWLNENAVEKVNIKPQVDRYRLKNGRRIILLAEGRLVNLGCAMGHPSFVMSNSFTNQVMAQIELWTHPDKYPVGVHFLPKKLDEAVAEAHLGKLNVKLTKLTEKQAQYLGMSCDGPFKPDHYRY
Inhibitor
Name:
BDBM50006222
Synonyms:
(1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol | (neplanocinA)5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol | 5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol | 5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol (Neplanocin A) | 5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol (Neplonocin A) | 5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol(NP-A) | 5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol(NPA) | 5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol(neplanocin A) | CHEMBL8771 | Neplanocin A
Type:
Small organic molecule
Emp. Form.:
C11H13N5O3
Mol. Mass.:
263.2526
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O |r,t:13|