Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcetyl-CoA carboxylase 2
LigandBDBM50350743
Substrate/Competitorn/a
Meas. Tech.ChEMBL_762997 (CHEMBL1820814)
IC50 750±n/a nM
Citation Bengtsson, CBlaho, SSaitton, DBBrickmann, KBroddefalk, JDavidsson, ODrmota, TFolmer, RHallberg, KHallén, SHovland, RIsin, EJohannesson, PKull, BLarsson, LOLöfgren, LNilsson, KENoeske, TOakes, NPlowright, ATSchnecke, VStåhlberg, PSörme, PWan, HWellner, EOster, 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 Chem19:3039-53 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetyl-CoA carboxylase 2
Name:Acetyl-CoA carboxylase 2
Synonyms:ACACB | ACACB_HUMAN | ACC-beta | ACC2 | ACCB | Acetyl-CoA carboxylase | Acetyl-CoA carboxylase 2 | Acetyl-CoA carboxylase 2 (ACC) | Acetyl-CoA carboxylase 2 (ACC2)
Type:Protein
Mol. Mass.:276535.21
Organism:Homo sapiens (Human)
Description:O00763
Residue:2458
Sequence:
MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPASDNSGETPQR
NGEGHTLPKTPSQAEPASHKGPKDAGRRRNSLPPSHQKPPRNPLSSSDAAPSPELQANGT
GTQGLEATDTNGLSSSARPQGQQAGSPSKEDKKQANIKRQLMTNFILGSFDDYSSDEDSV
AGSSRESTRKGSRASLGALSLEAYLTTGEAETRVPTMRPSMSGLHLVKRGREHKKLDLHR
DFTVASPAEFVTRFGGDRVIEKVLIANNGIAAVKCMRSIRRWAYEMFRNERAIRFVVMVT
PEDLKANAEYIKMADHYVPVPGGPNNNNYANVELIVDIAKRIPVQAVWAGWGHASENPKL
PELLCKNGVAFLGPPSEAMWALGDKIASTVVAQTLQVPTLPWSGSGLTVEWTEDDLQQGK
RISVPEDVYDKGCVKDVDEGLEAAERIGFPLMIKASEGGGGKGIRKAESAEDFPILFRQV
QSEIPGSPIFLMKLAQHARHLEVQILADQYGNAVSLFGRDCSIQRRHQKIVEEAPATIAP
LAIFEFMEQCAIRLAKTVGYVSAGTVEYLYSQDGSFHFLELNPRLQVEHPCTEMIADVNL
PAAQLQIAMGVPLHRLKDIRLLYGESPWGVTPISFETPSNPPLARGHVIAARITSENPDE
GFKPSSGTVQELNFRSSKNVWGYFSVAATGGLHEFADSQFGHCFSWGENREEAISNMVVA
LKELSIRGDFRTTVEYLINLLETESFQNNDIDTGWLDYLIAEKVQAEKPDIMLGVVCGAL
NVADAMFRTCMTDFLHSLERGQVLPADSLLNLVDVELIYGGVKYILKVARQSLTMFVLIM
NGCHIEIDAHRLNDGGLLLSYNGNSYTTYMKEEVDSYRITIGNKTCVFEKENDPTVLRSP
SAGKLTQYTVEDGGHVEAGSSYAEMEVMKMIMTLNVQERGRVKYIKRPGAVLEAGCVVAR
LELDDPSKVHPAEPFTGELPAQQTLPILGEKLHQVFHSVLENLTNVMSGFCLPEPVFSIK
LKEWVQKLMMTLRHPSLPLLELQEIMTSVAGRIPAPVEKSVRRVMAQYASNITSVLCQFP
SQQIATILDCHAATLQRKADREVFFINTQSIVQLVQRYRSGIRGYMKTVVLDLLRRYLRV
EHHFQQAHYDKCVINLREQFKPDMSQVLDCIFSHAQVAKKNQLVIMLIDELCGPDPSLSD
ELISILNELTQLSKSEHCKVALRARQILIASHLPSYELRHNQVESIFLSAIDMYGHQFCP
ENLKKLILSETTIFDVLPTFFYHANKVVCMASLEVYVRRGYIAYELNSLQHRQLPDGTCV
VEFQFMLPSSHPNRMTVPISITNPDLLRHSTELFMDSGFSPLCQRMGAMVAFRRFEDFTR
NFDEVISCFANVPKDTPLFSEARTSLYSEDDCKSLREEPIHILNVSIQCADHLEDEALVP
ILRTFVQSKKNILVDYGLRRITFLIAQEKEFPKFFTFRARDEFAEDRIYRHLEPALAFQL
ELNRMRNFDLTAVPCANHKMHLYLGAAKVKEGVEVTDHRFFIRAIIRHSDLITKEASFEY
LQNEGERLLLEAMDELEVAFNNTSVRTDCNHIFLNFVPTVIMDPFKIEESVRYMVMRYGS
RLWKLRVLQAEVKINIRQTTTGSAVPIRLFITNESGYYLDISLYKEVTDSRSGNIMFHSF
GNKQGPQHGMLINTPYVTKDLLQAKRFQAQTLGTTYIYDFPEMFRQALFKLWGSPDKYPK
DILTYTELVLDSQGQLVEMNRLPGGNEVGMVAFKMRFKTQEYPEGRDVIVIGNDITFRIG
SFGPGEDLLYLRASEMARAEGIPKIYVAANSGARIGMAEEIKHMFHVAWVDPEDPHKGFK
YLYLTPQDYTRISSLNSVHCKHIEEGGESRYMITDIIGKDDGLGVENLRGSGMIAGESSL
AYEEIVTISLVTCRAIGIGAYLVRLGQRVIQVENSHIILTGASALNKVLGREVYTSNNQL
GGVQIMHYNGVSHITVPDDFEGVYTILEWLSYMPKDNHSPVPIITPTDPIDREIEFLPSR
APYDPRWMLAGRPHPTLKGTWQSGFFDHGSFKEIMAPWAQTVVTGRARLGGIPVGVIAVE
TRTVEVAVPADPANLDSEAKIIQQAGQVWFPDSAYKTAQAVKDFNREKLPLMIFANWRGF
SGGMKDMYDQVLKFGAYIVDGLRQYKQPILIYIPPYAELRGGSWVVIDATINPLCIEMYA
DKESRGGVLEPEGTVEIKFRKKDLIKSMRRIDPAYKKLMEQLGEPDLSDKDRKDLEGRLK
AREDLLLPIYHQVAVQFADFHDTPGRMLEKGVISDILEWKTARTFLYWRLRRLLLEDQVK
QEILQASGELSHVHIQSMLRRWFVETEGAVKAYLWDNNQVVVQWLEQHWQAGDGPRSTIR
ENITYLKHDSVLKTIRGLVEENPEVAVDCVIYLSQHISPAERAQVVHLLSTMDSPAST
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50350743
n/a
NameBDBM50350743
Synonyms:CHEMBL1818292
TypeSmall organic molecule
Emp. Form.C30H35N3O5
Mol. Mass.517.616
SMILESCC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2ccc(cc2)C(O)=O)CC1 |r,wU:9.8,wD:12.12,(23.09,6.93,;24.42,7.7,;24.42,9.25,;23.08,8.47,;25.76,6.94,;27.09,7.71,;27.09,9.25,;28.43,6.94,;28.43,5.4,;29.77,4.64,;31.1,5.41,;32.43,4.64,;32.43,3.1,;33.76,2.32,;33.76,.78,;35.09,.01,;36.43,.78,;35.09,-1.53,;36.42,-2.29,;36.43,-3.83,;35.09,-4.6,;33.75,-3.83,;32.43,-4.59,;31.11,-3.83,;31.11,-2.29,;32.44,-1.53,;33.76,-2.3,;37.75,-4.59,;37.75,-6.14,;39.09,-6.9,;40.42,-6.13,;40.42,-4.58,;39.08,-3.82,;41.76,-6.9,;43.09,-6.12,;41.77,-8.44,;31.1,2.33,;29.77,3.1,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: