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Target
Estradiol 17-beta-dehydrogenase 11
Ligand
BDBM50632089
Substrate
n/a
Meas. Tech.
ChEMBL_2370016
IC50
>10000±n/a nM
Citation
 Thamm, S; Willwacher, MK; Aspnes, GE; Bretschneider, T; Brown, NF; Buschbom-Helmke, S; Fox, T; Gargano, EM; Grabowski, D; Hoenke, C; Matera, D; Mueck, K; Peters, S; Reindl, S; Riether, D; Schmid, M; Tautermann, CS; Teitelbaum, AM; Trünkle, C; Veser, T; Winter, M; Wortmann, L Discovery of a Novel Potent and Selective HSD17B13 Inhibitor, BI-3231, a Well-Characterized Chemical Probe Available for Open Science. J Med Chem 66:2832-2850 (2023) [PubMed] 
Target
Name:
Estradiol 17-beta-dehydrogenase 11
Synonyms:
1.1.1.62 | 17-beta-HSD 11 | 17-beta-HSD XI | 17-beta-hydroxysteroid dehydrogenase 11 | 17-beta-hydroxysteroid dehydrogenase XI | 17betaHSD11 | 17betaHSDXI | 17bHSD11 | CTCL-associated antigen HD-CL-03 | Cutaneous T-cell lymphoma-associated antigen HD-CL-03 | Dehydrogenase/reductase SDR family member 8 | DHRS8 | Estradiol 17-beta-dehydrogenase 11 | HSD17B11 | PAN1B | Retinal short-chain dehydrogenase/reductase 2 | retSDR2 | SDR16C2 | Short chain dehydrogenase/reductase family 16C member 2
Type:
PROTEIN
Mol. Mass.:
32978.10
Organism:
Homo sapiens
Description:
ChEMBL_121137
Residue:
300
Sequence:
MKFLLDILLLLPLLIVCSLESFVKLFIPKRRKSVTGEIVLITGAGHGIGRLTAYEFAKLKSKLVLWDINKHGLEETAAKCKGLGAKVHTFVVDCSNREDIYSSAKKVKAEIGDVSILVNNAGVVYTSDLFATQDPQIEKTFEVNVLAHFWTTKAFLPAMTKNNHGHIVTVASAAGHVSVPFLLAYCSSKFAAVGFHKTLTDELAALQITGVKTTCLCPNFVNTGFIKNPSTSLGPTLEPEEVVNRLMHGILTEQKMIFIPSSIAFLTTLERILPERFLAVLKRKISVKFDAVIGYKMKAQ
  
Inhibitor
Name:
BDBM50632089
Synonyms:
CHEMBL5307400 | US20250340546, Example 7
Type:
Small organic molecule
Emp. Form.:
C16H14F2N4O3S
Mol. Mass.:
380.38
SMILES:
CCn1c(=O)c(C)cn(Cc2nnc(s2)-c2ccc(F)c(O)c2F)c1=O
Structure:
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