Reaction Details Report a problem with these data
Target
Acetyl-CoA carboxylase 1 [39-967]
Ligand
BDBM196503
Substrate
n/a
Meas. Tech.
ACC1 Enzyme Assay A1
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
129±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:
BDBM196503
Synonyms:
US9212140, A
Type:
Small organic molecule
Emp. Form.:
C23H23ClFNO3
Mol. Mass.:
415.885
SMILES:
CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:5.8,2.1,c:12,(-8.09,-.31,;-6.75,-1.08,;-5.42,-.31,;-5.42,1.23,;-4.09,2,;-2.75,1.23,;-2.75,-.31,;-4.09,-1.08,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;-.38,2,;-1.29,.75,;-.52,-.58,;1.16,2,;1.93,.67,;3.47,.67,;4.24,2,;3.47,3.33,;1.93,3.33,;1.16,4.67,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,)|
Structure:
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