Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
Target11-beta-hydroxysteroid dehydrogenase 1
LigandBDBM50329300
Substrate/Competitorn/a
Meas. Tech.ChEMBL_675392 (CHEMBL1273472)
IC50 5.8±n/a nM
Citation Tice, CMZhao, WKrosky, PMKruk, BABerbaum, JJohnson, JABukhtiyarov, YPanemangalore, RScott, BBZhao, YBruno, JGHoward, LTogias, JYe, YJSingh, SBMcKeever, BMLindblom, PRGuo, JGuo, RNar, HSchuler-Metz, AGregg, RELeftheris, KHarrison, RKMcGeehan, GMZhuang, LClaremon, DA Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1. Bioorg Med Chem Lett20:6725-9 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50329300
n/a
NameBDBM50329300
Synonyms:(R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-hydroxymethyl-adamantan-2-yl ester | CHEMBL1270807
TypeSmall organic molecule
Emp. Form.C21H34N2O5
Mol. Mass.394.5051
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](CO)(C3)C2 |r,wU:8.7,16.16,wD:23.25,TLB:16:17:26:20.21.22,15:16:26.19.20:22,THB:18:19:22:27.17.16,18:17:26.19.20:22,16:21:26:27.18.17,(8,-43.38,;6.46,-43.35,;5.71,-42,;7.22,-42.01,;5.66,-44.67,;4.12,-44.65,;3.38,-43.3,;3.33,-45.97,;1.79,-45.94,;.91,-44.68,;-.56,-45.13,;-.59,-46.68,;.87,-47.17,;-1.93,-47.44,;-1.95,-48.98,;-3.26,-46.66,;-4.6,-47.41,;-4.61,-48.94,;-5.62,-50.22,;-7.03,-49.65,;-7.03,-48.07,;-5.99,-46.83,;-7.34,-47.31,;-7.33,-48.8,;-8.67,-48.02,;-10.02,-48.79,;-8.53,-50.07,;-6.01,-49.29,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: