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Target
NAD-dependent protein deacetylase sirtuin-1
Ligand
BDBM52057
Substrate
n/a
Meas. Tech.
ChEMBL_934585 (CHEMBL2317546)
IC50
>300000±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:
BDBM52057
Synonyms:
(2,5-Dimethoxy-phenyl)-(5-hydroxy-4-morpholin-4-ylmethyl-benzofuran-3-yl)-methanone | (2,5-dimethoxyphenyl)-[4-(morpholin-4-ylmethyl)-5-oxidanyl-1-benzofuran-3-yl]methanone | (2,5-dimethoxyphenyl)-[5-hydroxy-4-(4-morpholinylmethyl)-3-benzofuranyl]methanone | (2,5-dimethoxyphenyl)-[5-hydroxy-4-(morpholin-4-ylmethyl)-1-benzofuran-3-yl]methanone | (2,5-dimethoxyphenyl)-[5-hydroxy-4-(morpholinomethyl)benzofuran-3-yl]methanone | CHEMBL1393757 | MLS000075556 | SMR000010588 | cid_645092
Type:
Small organic molecule
Emp. Form.:
C22H23NO6
Mol. Mass.:
397.4211
SMILES:
COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)c(CN3CCOCC3)c12
Structure:
Search PDB for entries with ligand similarity: