Reaction Details Report a problem with these data
Target
Fibronectin type 3 and ankyrin repeat domains protein 1
Ligand
BDBM642672
Substrate
n/a
Meas. Tech.
17β-HSD13 Rapid-Fire Mass Spectrometry Assay
IC50
<100±n/a nM
Citation
 Or, YS; Panarese, JD; Wang, G; He, J; Long, J; Ma, J; Wang, B; Ghorai, S PYRIMIDINONE-CONTAINING 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS US Patent  US20230416268 Publication Date 12/28/2023 
Target
Name:
17-beta-hydroxysteroid dehydrogenase 13
Synonyms:
17-beta-HSD 13 | Hepatic retinol/retinal dehydrogenase | Short chain dehydrogenase/reductase family 16C member 3 | Short-chain dehydrogenase/reductase 9
Type:
Protein
Mol. Mass.:
33667.14
Organism:
Human
Description:
Q7Z5P4
Residue:
300
Sequence:
MNIILEILLLLITIIYSYLESLVKFFIPQRRKSVAGEIVLITGAGHGIGRQTTYEFAKRQSILVLWDINKRGVEETAAECRKLGVTAHAYVVDCSNREEIYRSLNQVKKEVGDVTIVVNNAGTVYPADLLSTKDEEITKTFEVNILGHFWITKALLPSMMERNHGHIVTVASVCGHEGIPYLIPYCSSKFAAVGFHRGLTSELQALGKTGIKTSCLCPVFVNTGFTKNPSTRLWPVLETDEVVRSLIDGILTNKKMIFVPSYINIFLRLQKFLPERASAILNRMQNIQFEAVVGHKIKMK
  
Inhibitor
Name:
BDBM642672
Synonyms:
US20230416268, Example 31
Type:
Small organic molecule
Emp. Form.:
C26H25N5O3S
Mol. Mass.:
487.573
SMILES:
COc1ccc(c(c1)C1CC1)-c1nc2sc3c(O)cccc3c2c(=O)n1CCNCc1cnc[nH]1
Structure:
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