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Target
Aldo-keto reductase family 1 member C1
Ligand
BDBM50446019
Substrate
n/a
Meas. Tech.
ChEMBL_1283744 (CHEMBL3108469)
IC50
>30000±n/a nM
Citation
 Flanagan, JU; Atwell, GJ; Heinrich, DM; Brooke, DG; Silva, S; Rigoreau, LJ; Trivier, E; Turnbull, AP; Raynham, T; Jamieson, SM; Denny, WA Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-ß-hydroxysteroid dehydrogenase (AKR1C3). Bioorg Med Chem 22:967-77 (2014) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member C1
Synonyms:
20-alpha-HSD | 20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) | AK1C1_HUMAN | AKR1C1 | Aldo-keto reductase family 1 member C1 (AK1C1) | Aldo-keto reductase family 1 member C1 (AK1C1a) | Aldo-keto reductase family 1 member C1 (AKR1C1) | Chlordecone reductase homolog HAKRC | DDH | DDH1 | High-affinity hepatic bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase
Type:
Enzyme
Mol. Mass.:
36793.97
Organism:
Homo sapiens (Human)
Description:
Recombinant AKR1C1 enzyme was expressed in E. coli.
Residue:
323
Sequence:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
  
Inhibitor
Name:
BDBM50446019
Synonyms:
CHEMBL3103347
Type:
Small organic molecule
Emp. Form.:
C15H20ClN3O2
Mol. Mass.:
309.791
SMILES:
Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1
Structure:
Search PDB for entries with ligand similarity: