Target
NAD-dependent protein deacetylase sirtuin-1
Ligand
BDBM50431121
Substrate
n/a
Meas. Tech.
ChEMBL_948318 (CHEMBL2341152)
IC50
5.3±n/a nM
Citation
 Disch, JSEvindar, GChiu, CHBlum, CADai, HJin, LSchuman, ELind, KEBelyanskaya, SLDeng, JCoppo, FAquilani, LGraybill, TLCuozzo, JWLavu, SMao, CVlasuk, GPPerni, RB Discovery of thieno[3,2-d]pyrimidine-6-carboxamides as potent inhibitors of SIRT1, SIRT2, and SIRT3. J Med Chem 56:3666-79 (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:
BDBM50431121
Synonyms:
CHEMBL2332037
Type:
Small organic molecule
Emp. Form.:
C24H28N6O3S
Mol. Mass.:
480.583
SMILES:
CCNC(=O)c1cccc(c1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
Structure:
Search PDB for entries with ligand similarity: