Reaction Details
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Target
Aldo-keto reductase family 1 member C1 [H222S]
Ligand
BDBM26269
Substrate
BDBM26270
Meas. Tech.
Assay of Enzyme Activity
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
58±10 nM
Citation
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More Info.:
Target
Name:
Aldo-keto reductase family 1 member C1 [H222S]
Synonyms:
20-alpha-Hydroxysteroid Dehydrogenase (AKR1C1) Mutant (H222S) | AK1C1_HUMAN | AKR1C1 | DDH | DDH1
Type:
Enzyme
Mol. Mass.:
36743.40
Organism:
Homo sapiens (Human)
Description:
Q04828[H222S]
Residue:
323
Sequence:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEATKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWCNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAVEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSSREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
Inhibitor
Name:
BDBM26269
Synonyms:
3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichlorosalicylic acid | CHEMBL449129
Type:
Small organic molecule
Emp. Form.:
C7H4Cl2O3
Mol. Mass.:
207.011
SMILES:
OC(=O)c1cc(Cl)cc(Cl)c1O
Substrate
Name:
BDBM26270
Synonyms:
(1S,2S,5R,7R,10R,11S,14S,15S)-14-[(1S)-1-hydroxyethyl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-ol | 5Beta-pregnane-3alpha,20alpha-diol | pregnanediol
Type:
Steroid
Emp. Form.:
C21H36O2
Mol. Mass.:
320.5093
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)O