Reaction Details Report a problem with these data
Target
Ubiquitin-like modifier-activating enzyme ATG7
Ligand
BDBM476086
Substrate
n/a
Meas. Tech.
ChEMBL_2074574 (CHEMBL4730108)
IC50
35±n/a nM
Citation
 Huang, SC; Adhikari, S; Brownell, JE; Calderwood, EF; Chouitar, J; D'Amore, NR; England, DB; Foley, K; Harrison, SJ; LeRoy, PJ; Lok, D; Lublinsky, A; Ma, LT; Menon, S; Yang, Y; Zhang, J; Gould, AE Discovery and optimization of pyrazolopyrimidine sulfamates as ATG7 inhibitors. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
Target
Name:
Ubiquitin-like modifier-activating enzyme ATG7
Synonyms:
APG7-like | APG7L | ATG12-activating enzyme E1 ATG7 | ATG7 | ATG7_HUMAN | Autophagy-related protein 7 | Ubiquitin-activating enzyme E1-like protein | hAGP7
Type:
PROTEIN
Mol. Mass.:
77955.74
Organism:
Homo sapiens (Human)
Description:
ChEMBL_939703
Residue:
703
Sequence:
MAAATGDPGLSKLQFAPFSSALDVGFWHELTQKKLNEYRLDEAPKDIKGYYYNGDSAGLPARLTLEFSAFDMSAPTPARCCPAIGTLYNTNTLESFKTADKKLLLEQAANEIWESIKSGTALENPVLLNKFLLLTFADLKKYHFYYWFCYPALCLPESLPLIQGPVGLDQRFSLKQIEALECAYDNLCQTEGVTALPYFLIKYDENMVLVSLLKHYSDFFQGQRTKITIGVYDPCNLAQYPGWPLRNFLVLAAHRWSSSFQSVEVVCFRDRTMQGARDVAHSIIFEVKLPEMAFSPDCPKAVGWEKNQKGGMGPRMVNLSECMDPKRLAESSVDLNLKLMCWRLVPTLDLDKVVSVKCLLLGAGTLGCNVARTLMGWGVRHITFVDNAKISYSNPVRQPLYEFEDCLGGGKPKALAAADRLQKIFPGVNARGFNMSIPMPGHPVNFSSVTLEQARRDVEQLEQLIESHDVVFLLMDTRESRWLPAVIAASKRKLVINAALGFDTFVVMRHGLKKPKQQGAGDLCPNHPVASADLLGSSLFANIPGYKLGCYFCNDVVAPGDSTRDRTLDQQCTVSRPGLAVIAGALAVELMVSVLQHPEGGYAIASSSDDRMNEPPTSLGLVPHQIRGFLSRFDNVLPVSLAFDKCTACSSKVLDQYEREGFNFLAKVFNSSHSFLEDLTGLTLLHQETQAAEIWDMSDDETI
  
Inhibitor
Name:
BDBM476086
Synonyms:
US10865208, Compound I-141 | [(2R,3R,4S,5R)-5-{4-amino-3-[(3-methylphenyl)sulfanyl]-1H-pyrazolo[3,4- d]pyrimidin-1-yl}-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl sulfamate
Type:
Small organic molecule
Emp. Form.:
C17H19FN6O5S2
Mol. Mass.:
470.498
SMILES:
Cc1cccc(Sc2nn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3F)c3ncnc(N)c23)c1 |r|
Structure:
Search PDB for entries with ligand similarity: