Reaction Details Report a problem with these data
Target
Acetyl-CoA carboxylase 1 [39-967]
Ligand
BDBM196505
Substrate
n/a
Meas. Tech.
ACC1 Enzyme Assay B1
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
428±n/a nM
Comments
extracted
Citation
 Liu, N; Thede, K; Lienau, P; Scholz, A; Hilger, C; Bömer, U; Najjar, M; Eis, K; Fischer, R; Moradi, WA (5s,8s)-3-(4′-chlor-3′-fluor-4-methlybiphenyl-3-yl)-4-hydroxy-8-methoxy-1-azaspiro[4.5] dec-3-en-2-one (compound A) for treatment US Patent  US9212140 Publication Date 12/15/2015 
Target
Name:
Acetyl-CoA carboxylase 1 [39-967]
Synonyms:
ACAC | ACACA | ACACA_HUMAN | ACC1 | ACCA | Acetyl-CoA carboxylase 1 (ACC1)
Type:
Enzyme
Mol. Mass.:
103145.80
Organism:
Homo sapiens (Human)
Description:
C-terminally FLAG-tagged recombinant human ACC1 (GenBank Accession no. NM-198834, amino acids 39 - end), expressed in baculovirus-transfected insect cells (Hi5)
Residue:
929
Sequence:
LDLLEEKEGSLSPASVGSDTLSDLGISSLQDGLALHIRSSMSGLHLVKQGRDRKKIDSQRDFTVASPAEFVTRFGGNKVIEKVLIANNGIAAVKCMRSIRRWSYEMFRNERAIRFVVMVTPEDLKANAEYIKMADHYVPVPGGPNNNNYANVELILDIAKRIPVQAVWAGWGHASENPKLPELLLKNGIAFMGPPSQAMWALGDKIASSIVAQTAGIPTLPWSGSGLRVDWQENDFSKRILNVPQELYEKGYVKDVDDGLQAAEEVGYPVMIKASEGGGGKGIRKVNNADDFPNLFRQVQAEVPGSPIFVMRLAKQSRHLEVQILADQYGNAISLFGRDCSVQRRHQKIIEEAPATIATPAVFEHMEQCAVKLAKMVGYVSAGTVEYLYSQDGSFYFLELNPRLQVEHPCTEMVADVNLPAAQLQIAMGIPLYRIKDIRMMYGVSPWGDSPIDFEDSAHVPCPRGHVIAARITSENPDEGFKPSSGTVQELNFRSNKNVWGYFSVAAAGGLHEFADSQFGHCFSWGENREEAISNMVVALKELSIRGDFRTTVEYLIKLLETESFQMNRIDTGWLDRLIAEKVQAERPDTMLGVVCGALHVADVSLRNSVSNFLHSLERGQVLPAHTLLNTVDVELIYEGVKYVLKVTRQSPNSYVVIMNGSCVEVDVHRLSDGGLLLSYDGSSYTTYMKEEVDRYRITIGNKTCVFEKENDPSVMRSPSAGKLIQYIVEDGGHVFAGQCYAEIEVMKMVMTLTAVESGCIHYVKRPGAALDPGCVLAKMQLDNPSKVQQAELHTGSLPRIQSTALRGEKLHRVFHYVLDNLVNVMNGYCLPDPFFSSKVKDWVERLMKTLRDPSLPLLELQDIMTSVSGRIPPNVEKSIKKEMAQYASNITSVLCQFPSQQIANILDSHAATLNRKSEREVFFMNTQS
  
Inhibitor
Name:
BDBM196505
Synonyms:
US9212140, C.2
Type:
Small organic molecule
Emp. Form.:
C23H23Cl2NO2
Mol. Mass.:
416.34
SMILES:
COC1CCC2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)c(Cl)c1 |c:12,(-7.43,1.12,;-6.34,.03,;-4.85,.43,;-4.45,1.92,;-2.96,2.32,;-1.87,1.23,;-2.27,-.26,;-3.76,-.66,;-1.87,2.77,;-.41,3.25,;.36,4.58,;.5,2,;-.41,.75,;2.04,2,;2.81,.67,;4.35,.67,;5.12,2,;4.35,3.33,;2.81,3.33,;2.04,4.67,;5.12,-.67,;6.66,-.67,;7.43,-2,;6.66,-3.33,;7.43,-4.67,;5.12,-3.33,;4.35,-4.67,;4.35,-2,)|
Structure:
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