Reaction Details Report a problem with these data
Target
Sterol O-acyltransferase 1
Ligand
BDBM50089627
Substrate
n/a
Meas. Tech.
ChEBML_28506
IC50
89±n/a nM
Citation
 Obata, R; Sunazuka, T; Tomoda, H; Harigaya, Y; Omura, S Chemical modification and structure-activity relationships of pyripyropenes; potent, bioavailable inhibitor of acyl-CoA: Cholesterol O-acyltransferase (ACAT) Bioorg Med Chem Lett 5:2683-2688 (1995)    Article 
Target
Name:
Sterol O-acyltransferase 1
Synonyms:
ACAT-1 | Acact | Acat | Cholesterol acyltransferase 1 | SOAT1_RAT | Soat1 | Sterol O-acyltransferase, Soat
Type:
PROTEIN
Mol. Mass.:
64165.56
Organism:
Rattus norvegicus
Description:
ChEMBL_28796
Residue:
545
Sequence:
MVGEETSLRNRLSRSAENPEQDEAQKNLLDTHRNGHITMKQLIAKKRQLAAEAEELKPLFLKEVGCHFDDFVTNLIDKSASLDNGGCALTTFSILEEMKNNHRAKDLRAPPEQGKIFISRRSLLDELFEVDHIRTIYHMFIALLIIFILSTLVVDYIDEGRLVLEFSLLAYAFGQFPIVIWTWWAMFLSTLAIPYFLFQRWAHGYSKSSHPLIYSLIHGAFFLVFQLGILGFIPTYVVLAYTLPPASRFILILEQIRLVMKAHSYVRENVPRVLSAAKEKSSTVPVPTVNQYLYFLFAPTLIYRDSYPRTPTVRWGYVAMQFLQVFGCLFYVYYIFERLCAPLFRNIKQEPFSARVLVLCVFNSILPGVLMLFLSFFAFLHCWLNAFAEMLRFGDRMFYKDWWNSTSYSNYYRTWNVVVHDWLYYYVYKDLLWFFSKRFRPAAMLAVFALSAVVHEYALAVCLSYFYPVLFVLFMFFGMAFNFIVNDSRKRPVWNIMVRASLFLGHGVILCFYSQEWYARQRCPLKNPTFLDYVRPRTWTCRYVF
  
Inhibitor
Name:
BDBM50089627
Synonyms:
12-hydroxy-4,6a,12b-trimethyl-3,6-di(methylcarbonyloxy)-11-oxo-9-(3-pyridyl)-(3S,4R,6S,6aS,12R,12bS)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-4-ylmethyl acetate | Acetic acid 3-acetoxy-4-acetoxymethyl-12-hydroxy-4,6a,12b-trimethyl-11-oxo-9-pyridin-3-yl-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-7,10-dioxa-benzo[a]anthracen-6-yl ester | CHEMBL25532
Type:
Small organic molecule
Emp. Form.:
C31H37NO10
Mol. Mass.:
583.6262
SMILES:
CC(=O)OC[C@]1(C)[C@H](CC[C@@]2(C)C1C[C@H](OC(C)=O)[C@@]1(C)Oc3cc(oc(=O)c3[C@H](O)C21)-c1cccnc1)OC(C)=O
Structure:
Search PDB for entries with ligand similarity: