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Target
ATP-citrate synthase
Ligand
BDBM50209009
Substrate
n/a
Meas. Tech.
ChEMBL_455196 (CHEMBL906357)
IC50
370±n/a nM
Citation
 Li, JJ; Wang, H; Tino, JA; Robl, JA; Herpin, TF; Lawrence, RM; Biller, S; Jamil, H; Ponticiello, R; Chen, L; Chu, CH; Flynn, N; Cheng, D; Zhao, R; Chen, B; Schnur, D; Obermeier, MT; Sasseville, V; Padmanabha, R; Pike, K; Harrity, T 2-hydroxy-N-arylbenzenesulfonamides as ATP-citrate lyase inhibitors. Bioorg Med Chem Lett 17:3208-11 (2007) [PubMed]  Article 
Target
Name:
ATP-citrate synthase
Synonyms:
ACLY | ACLY_HUMAN
Type:
PROTEIN
Mol. Mass.:
120848.43
Organism:
Homo sapiens (Human)
Description:
ChEMBL_455196
Residue:
1101
Sequence:
MSAKAISEQTGKELLYKFICTTSAIQNRFKYARVTPDTDWARLLQDHPWLLSQNLVVKPDQLIKRRGKLGLVGVNLTLDGVKSWLKPRLGQEATVGKATGFLKNFLIEPFVPHSQAEEFYVCIYATREGDYVLFHHEGGVDVGDVDAKAQKLLVGVDEKLNPEDIKKHLLVHAPEDKKEILASFISGLFNFYEDLYFTYLEINPLVVTKDGVYVLDLAAKVDATADYICKVKWGDIEFPPPFGREAYPEEAYIADLDAKSGASLKLTLLNPKGRIWTMVAGGGASVVYSDTICDLGGVNELANYGEYSGAPSEQQTYDYAKTILSLMTREKHPDGKILIIGGSIANFTNVAATFKGIVRAIRDYQGPLKEHEVTIFVRRGGPNYQEGLRVMGEVGKTTGIPIHVFGTETHMTAIVGMALGHRPIPNQPPTAAHTANFLLNASGSTSTPAPSRTASFSESRADEVAPAKKAKPAMPQDSVPSPRSLQGKSTTLFSRHTKAIVWGMQTRAVQGMLDFDYVCSRDEPSVAAMVYPFTGDHKQKFYWGHKEILIPVFKNMADAMRKHPEVDVLINFASLRSAYDSTMETMNYAQIRTIAIIAEGIPEALTRKLIKKADQKGVTIIGPATVGGIKPGCFKIGNTGGMLDNILASKLYRPGSVAYVSRSGGMSNELNNIISRTTDGVYEGVAIGGDRYPGSTFMDHVLRYQDTPGVKMIVVLGEIGGTEEYKICRGIKEGRLTKPIVCWCIGTCATMFSSEVQFGHAGACANQASETAVAKNQALKEAGVFVPRSFDELGEIIQSVYEDLVANGVIVPAQEVPPPTVPMDYSWARELGLIRKPASFMTSICDERGQELIYAGMPITEVFKEEMGIGGVLGLLWFQKRLPKYSCQFIEMCLMVTADHGPAVSGAHNTIICARAGKDLVSSLTSGLLTIGDRFGGALDAAAKMFSKAFDSGIIPMEFVNKMKKEGKLIMGIGHRVKSINNPDMRVQILKDYVRQHFPATPLLDYALEVEKITTSKKPNLILNVDGLIGVAFVDMLRNCGSFTREEADEYIDIGALNGIFVLGRSMGFIGHYLDQKRLKQGLYRHPWDDISYVLPEHMSM
  
Inhibitor
Name:
BDBM50209009
Synonyms:
2-isopropyl-5-methylcyclohexyl 2-(3,5-dichloro-2-hydroxyphenylsulfonamido)benzoate | CHEMBL250941
Type:
Small organic molecule
Emp. Form.:
C23H27Cl2NO5S
Mol. Mass.:
500.435
SMILES:
CC(C)C1CCC(C)CC1OC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O |w:9.10,3.2,6.6|
Structure:
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