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Target
NAD-dependent protein deacetylase sirtuin-1
Ligand
BDBM69620
Substrate
n/a
Meas. Tech.
ChEMBL_934585 (CHEMBL2317546)
IC50
240000±n/a nM
Citation
 Wu, J; Li, Y; Chen, K; Jiang, H; Xu, MH; Liu, D Identification of benzofuran-3-yl(phenyl)methanones as novel SIRT1 inhibitors: binding mode, inhibitory mechanism and biological action. Eur J Med Chem 60:441-50 (2013) [PubMed]  Article 
Target
Name:
NAD-dependent protein deacetylase sirtuin-1
Synonyms:
NAD-Dependent Deacetylase Sirtuin-1 | NAD-dependent deacetylase sirtuin 1 | NAD-dependent protein deacetylase sirtuin-1 (SIRT1) | SIR1_HUMAN | SIR2-like protein 1 | SIR2L1 | SIRT1 | Sirtuin 1 (SIRT1) | Sirtuin-1 (SIRT1) | hSIR2
Type:
Developmental protein; hydrolase
Mol. Mass.:
81626.66
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
747
Sequence:
MADEAALALQPGGSPSAAGADREAASSPAGEPLRKRPRRDGPGLERSPGEPGGAAPEREVPAAARGCPGAAAAALWREAEAEAAAAGGEQEAQATAAAGEGDNGPGLQGPSREPPLADNLYDEDDDDEGEEEEEAAAAAIGYRDNLLFGDEIITNGFHSCESDEEDRASHASSSDWTPRPRIGPYTFVQQHLMIGTDPRTILKDLLPETIPPPELDDMTLWQIVINILSEPPKRKKRKDINTIEDAVKLLQECKKIIVLTGAGVSVSCGIPDFRSRDGIYARLAVDFPDLPDPQAMFDIEYFRKDPRPFFKFAKEIYPGQFQPSLCHKFIALSDKEGKLLRNYTQNIDTLEQVAGIQRIIQCHGSFATASCLICKYKVDCEAVRGDIFNQVVPRCPRCPADEPLAIMKPEIVFFGENLPEQFHRAMKYDKDEVDLLIVIGSSLKVRPVALIPSSIPHEVPQILINREPLPHLHFDVELLGDCDVIINELCHRLGGEYAKLCCNPVKLSEITEKPPRTQKELAYLSELPPTPLHVSEDSSSPERTSPPDSSVIVTLLDQAAKSNDDLDVSESKGCMEEKPQEVQTSRNVESIAEQMENPDLKNVGSSTGEKNERTSVAGTVRKCWPNRVAKEQISRRLDGNQYLFLPPNRYIFHGAEVYSDSEDDVLSSSSCGSNSDSGTCQSPSLEEPMEDESEIEEFYNGLEDEPDVPERAGGAGFGTDGDDQEAINEAISVKQEVTDMNYPSNKS
  
Inhibitor
Name:
BDBM69620
Synonyms:
(4-bromophenyl)(5-hydroxy-1-benzofuran-3-yl)methanone | (4-bromophenyl)-(5-hydroxy-1-benzofuran-3-yl)methanone | (4-bromophenyl)-(5-hydroxy-3-benzofuranyl)methanone | (4-bromophenyl)-(5-hydroxybenzofuran-3-yl)methanone | (4-bromophenyl)-(5-oxidanyl-1-benzofuran-3-yl)methanone | MLS001178337 | SMR000476405 | cid_900927
Type:
Small organic molecule
Emp. Form.:
C15H9BrO3
Mol. Mass.:
317.134
SMILES:
Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1
Structure:
Search PDB for entries with ligand similarity: