Reaction Details Report a problem with these data
Target
SUMO-activating enzyme subunit 1
Ligand
BDBM462668
Substrate
n/a
Meas. Tech.
Enzyme Assay
IC50
<10±n/a nM
Citation
 Duffey, MO; England, D; Freeze, BS; Hu, Z; Langston, S; McIntyre, C; Mizutani, H; Ono, K; Xu, H Heteroaryl compounds useful as inhibitors of SUMO activating enzyme US Patent  US10780090 Publication Date 9/22/2020 
Target
Name:
SUMO-activating enzyme subunit 1
Synonyms:
AOS1 | SAE1 | SAE1_HUMAN | SUA1 | SUMO-activating enzyme subunit 1 (SAE1) | SUMO1 activating enzyme subunit 1 | UBLE1A
Type:
Enzyme Catalytic Domain
Mol. Mass.:
38440.84
Organism:
Homo sapiens (Human)
Description:
gi_17390638
Residue:
346
Sequence:
MVEKEEAGGGISEEEAAQYDRQIRLWGLEAQKRLRASRVLLVGLKGLGAEIAKNLILAGVKGLTMLDHEQVTPEDPGAQFLIRTGSVGRNRAEASLERAQNLNPMVDVKVDTEDIEKKPESFFTQFDAVCLTCCSRDVIVKVDQICHKNSIKFFTGDVFGYHGYTFANLGEHEFVEEKTKVAKVSQGVEDGPDTKRAKLDSSETTMVKKKVVFCPVKEALEVDWSSEKAKAALKRTTSDYFLLQVLLKFRTDKGRDPSSDTYEEDSELLLQIRNDVLDSLGISPDLLPEDFVRYCFSEMAPVCAVVGGILAQEIVKALSQRDPPHNNFFFFDGMKGNGIVECLGPK
  
Inhibitor
Name:
BDBM462668
Synonyms:
US10780090, Compound I-25 | US10780090, Compound I-25a | US10780090, Compound I-25b | [(1R,2S,4R)-4-{[5-({4-[(S)-amino(6-chloropyridin-2-yl)methyl]-5-chloro-2- thienyl}carbonyl)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl sulfamate
Type:
Small organic molecule
Emp. Form.:
C22H23BrClN5O6S2
Mol. Mass.:
632.935
SMILES:
N[C@H](c1cc(sc1Cl)C(=O)c1cncnc1N[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O)c1cccc(Br)c1
Structure:
Search PDB for entries with ligand similarity: