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Target
Acetyl-CoA carboxylase
Ligand
BDBM50350750
Substrate
n/a
Meas. Tech.
ChEMBL_763012 (CHEMBL1820829)
IC50
150±n/a nM
Citation
 Bengtsson, C; Blaho, S; Saitton, DB; Brickmann, K; Broddefalk, J; Davidsson, O; Drmota, T; Folmer, R; Hallberg, K; Hallén, S; Hovland, R; Isin, E; Johannesson, P; Kull, B; Larsson, LO; Löfgren, L; Nilsson, KE; Noeske, T; Oakes, N; Plowright, AT; Schnecke, V; Ståhlberg, P; Sörme, P; Wan, H; Wellner, E; Oster, L Design of small molecule inhibitors of acetyl-CoA carboxylase 1 and 2 showing reduction of hepatic malonyl-CoA levels in vivo in obese Zucker rats. Bioorg Med Chem 19:3039-53 (2011) [PubMed]  Article 
Target
Name:
Acetyl-CoA carboxylase
Synonyms:
Acetyl-CoA carboxylase 2 (ACC2) | Acetyl-Coenzyme A carboxylase 2
Type:
Protein
Mol. Mass.:
276278.59
Organism:
Rattus norvegicus (Rat)
Description:
n/a
Residue:
2455
Sequence:
MVLLLFLTCLVFSCLTISWLKIWGKMTDSKPLSNSKVDASLLSSKEESFSASDQSEEHGDCSCPLTTPDQEELASHGGPVDASQQRNSVPSSHQKPPRNPLSSNDTCSSPELQTNGVAAPGSEVPEANGLPFPARPQTQRTGSPTREDKKQAHIKRQLMTSFILGSLDDNSSDEDPSASSFQTSSRKGSRASLGTLSQEAALNTADPESHTPTMRPSMSGLHLVKRGREHKKLDLHRDFTVASPAEFVTRFGGNRVIETVLIANNGIAAVKCMRSIRRWAYEMFRNERAIRFVVMVTPEDLKANAEYIKMADQYVPVPGGPNNNNYANVELIIDIAKRIPVQAVWAGWGHASENPKLPELLCKHEIAFLGPPSEAMWALGDKISSTIVAQTLQIPTLPWSGSGLTVEWTEDSQHQGKCISVPEDVYEQGCVRDVDEGLQAAEKVGFPLMIKASEGGGGKGIRRAESAEDFPMLFRQVQSEIPGSPIFLMKLAQNARHLEVQVLADQYGNAVSLFGRDCSIQRRHQKIIEEAPATIAAPAVFEFMEQCAVLLAKTVGYVSAGTVEYLYSQDGSFHFLELNPRLQVEHPCTEMIADVNLPAAQLQIAMGVPLHRLKDIRLLYGESPWGVTPVSFETPLSPPIARGHVIAARITSENPDEGFKPSSGTVQELNFRSNKNVWGYFSVAAAGGLHEFADSQFGHCFSWGENREEAISNMVVALKELSIRGDFRTTVEYLVNLLETESFQNNDIDTGWLDHLIAQRVQAEKPDIMLGVVCGALNVADAMFRTCMTEFLHSLERGQVLPADSLLNIVDVELIYGGIKYVLKVARQSLTMFVLIMNGCHIEIDAHRLNDGGLLLSYNGSSYTTYMKEEVDSYRITIGNKTCVFEKENDPTVLRSPSAGKLMQYTVEDGQHVEVGSSYAEMEVMKMIMTLNVQESGRVKYIKRPGAVLEAGCVVAKLELDDPSKVHAAQPFTGELPAQQTLPILGERLHQVFHSVLENLTNVMNGYCLPEPFFSMKLKDWVEKLMMTLRHPSLPLLELQEIMTSVAGRIPVPVEKAVRRVMAQYASNITSVLCQFPSQQIATILDCHAATLQRKVDREAFFMNTQSIVQLIQRYRSGTRGYMKAVVLDLLRRYLNVEHHFQQAHYDKCVINLREQFKPDMTRVLDCIFSHSQVAKKNQLVTMLIDELCGPDPTLSEELTSILKELTQLSRSEHCKVALRARQVLIASHLPSYELRHNQVESIFLSAIDMYGHQFCPENLKKLILSETTIFDVLPTFFYHANKVVCMASLEVYVRRGYIAYELNSLQHRELPDGTCVVEFQFMLPSSHPNRMAMPINVSDPDLLRHSKELFMDSGFSPLCQRMGAMVAFRRFEEFTRNFDEVISCFANVPTDTPLFSKACTSLYSEEDSKSLQEEPIHILNVAIQCADHMEDERLVPVFRAFVQSKKHILVDYGLRRITFLIAQEREFPKFFTFRARDEFAEDRIYRHLEPALAFQLELSRMRNFDLTAVPCANHKMHLYLGAAKVKEGLEVTDHRFFIRAIIRHSDLITKEASFEYLQNEGERLLLEAMDELEVAFNNTSVRTDCNHIFLNFVPTVIMDPLKIEESVRAMVMRYGSRLWKLRVLQAEVKINIRQTTSDCAVPIRLFITNESGYYLDISLYKEVTDSRSGNIMFHSFGNKQGSLHGMLINTPYVTKDLLQAKRFQAQSLGTTYVYDFPEMFRQALFKLWGSPEKYPKDILTYTELVLDSQGQLVEMNRLPGCNEVGMVVFKMRFKTPEYPEGRDTIVIGNDITFQIGSFGIGEDFLYLRASEMARTEGIPQIYLAANSGARMGLSEEIKQIFQVAWVDPEDPYKGFRYLYLTPQDYTQISSQNSVHCKHIEDEGESRYVIVDVIGKDSSLGVENLRGSGMIAGEASLAYEKNVTISMVTCRAIGIGAYLVRLGQRVIQVENSHIILTGAGALNKVLGREVYTSNNQLGGVQIMHTNGVSHVTVPDDFEGVCTILEWLSYIPKDNQSPVPIITPSDPIDREIEFTPTKAPYDPRWLLAGRPHPTLKGTWQSGFFDHGSFKEIMAPWAQTVVTGRARLGGIPVGVIAVETRSVEVAVPADPANLDSEAKIIQQAGQVWFPDSAFKTAQVIRDFNQEHLPLMIFANWRGFSGGMKDMYEQMLKFGAYIVDSLRLFKQPVLIYIPPGAELRGGAWVVLDSSINPLCIEMYADKESRGGVLEPEGTVEIKFRKKDLVKTIRRIDPVCKKLLGQLGTAQLPDKDRKELESQLKAREDLLLPIYHQVAVQFADLHDTPGHMLEKGIISDVLEWKTTRTYFYWRLRRLLLEAQVKQEILRASPELSHEHTQSMLRRWFVETEGAVKAYLWDSNQVVVQWLEQHWSARDNLRSTIRENINYLKRDSVLKTIQSLVQEHPEATMDCVAYLSQHLTPAEQMQVVQLLSTTESPASH
  
Inhibitor
Name:
BDBM50350750
Synonyms:
CHEMBL1818300
Type:
Small organic molecule
Emp. Form.:
C33H49N5O4
Mol. Mass.:
579.7733
SMILES:
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)N2CCC(CCN3CC(O)C3)CC2)CC1 |r,wU:9.8,wD:12.12,(30.79,-33.91,;32.12,-33.14,;32.12,-31.6,;30.78,-32.37,;33.46,-33.9,;34.79,-33.13,;34.79,-31.59,;36.13,-33.9,;36.13,-35.44,;37.47,-36.2,;38.8,-35.43,;40.12,-36.2,;40.12,-37.74,;41.46,-38.51,;41.46,-40.05,;42.79,-40.83,;44.12,-40.06,;42.79,-42.37,;44.12,-43.13,;44.12,-44.66,;42.78,-45.44,;41.45,-44.67,;40.12,-45.43,;38.8,-44.66,;38.8,-43.12,;40.13,-42.36,;41.46,-43.13,;45.45,-45.43,;45.45,-46.97,;46.78,-47.74,;48.12,-46.97,;49.45,-47.73,;50.78,-46.96,;52.12,-47.72,;52.52,-49.2,;54.01,-48.8,;55.35,-49.57,;53.61,-47.31,;48.11,-45.42,;46.77,-44.66,;38.8,-38.51,;37.47,-37.74,)|
Structure:
Search PDB for entries with ligand similarity: