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Target11-beta-hydroxysteroid dehydrogenase 1
LigandBDBM186131
Substrate/Competitorn/a
Meas. Tech.Scintillation Proximity Assay
Temperature298.15±n/a K
IC50 2.7±n/a nM
Commentsextracted
Citation Claremon, DATice, CMZhuang, LLeftheris, KYe, YSingh, SB Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 US Patent US9163012 Publication Date 10/20/2015
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11-beta-hydroxysteroid dehydrogenase 1
Name:11-beta-hydroxysteroid dehydrogenase 1
Synonyms:11-DH | 11-beta-HSD1 | 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1) | 11-beta-hydroxysteroid dehydrogenase | 11-beta-hydroxysteroid dehydrogenase 1 (11HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD-1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11-beta-HSD1) | Corticosteroid 11-beta-dehydrogenase isozyme 1 (11beta-HSD1) | DHI1_HUMAN | HSD11 | HSD11B1 | HSD11L | SDR26C1
Type:Enzyme
Mol. Mass.:32409.16
Organism:Homo sapiens (Human)
Description:P28845
Residue:292
Sequence:
MAFMKKYLLPILGLFMAYYYYSANEEFRPEMLQGKKVIVTGASKGIGREMAYHLAKMGAH
VVVTARSKETLQKVVSHCLELGAASAHYIAGTMEDMTFAEQFVAQAGKLMGGLDMLILNH
ITNTSLNLFHDDIHHVRKSMEVNFLSYVVLTVAALPMLKQSNGSIVVVSSLAGKVAYPMV
AAYSASKFALDGFFSSIRKEYSVSRVNVSITLCVLGLIDTETAMKAVSGIVHMQAAPKEE
CALEIIKGGALRQEEVYYDSSLWTTLLIRNPCRKILEFLYSTSYNMDRFINK
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  Blast E-value cutoff:
BDBM186131
n/a
NameBDBM186131
Synonyms:US9163012, 48, Isomer 1 | US9163012, 48, Isomer 2
TypeSmall organic molecule
Emp. Form.C21H25F3N4O3
Mol. Mass.438.4434
SMILESNC(=O)C12CC3CC(C1)C(OC(=O)N1CCC(C1)c1nccc(n1)C(F)(F)F)C(C3)C2 |TLB:29:28:8:5.6.4,THB:4:5:9:8.3.30,4:3:9:5.6.29,29:5:8:28.9.30,10:9:8:5.6.4,(-8.83,-2.39,;-7.49,-3.16,;-7.49,-4.7,;-6.16,-2.39,;-6.99,-4.29,;-5.6,-3.64,;-5.58,-1.24,;-4.83,-.08,;-6.16,-.85,;-3.5,-.85,;-2.16,-.08,;-.83,-.85,;-.83,-2.39,;.5,-.08,;.5,1.46,;1.97,1.94,;2.87,.69,;1.97,-.55,;4.41,.69,;5.18,-.64,;6.72,-.64,;7.49,.69,;6.72,2.03,;5.18,2.03,;7.49,3.36,;8.26,4.7,;6.16,4.13,;8.83,2.59,;-3.5,-2.39,;-4.39,-4.31,;-4.83,-3.16,)|
Structure
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