Reaction Details Report a problem with these data
Target
Cathepsin S
Ligand
BDBM586632
Substrate
n/a
Meas. Tech.
D3R2024
IC50
180±n/a nM
Citation
 D3R, DD Drug Design Data Resource Grand Challenge 3 Dataset: JAK2_SC3 D3R 1:0 (2020) [PubMed] 
Target
Name:
Cathepsin S
Synonyms:
CATS_HUMAN | CTSS | Cathepsin S (Cat S) | cathepsin S preproprotein
Type:
Protein
Mol. Mass.:
37507.38
Organism:
Homo sapiens (Human)
Description:
P25774
Residue:
331
Sequence:
MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVMLHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVDWREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGCNGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKEAVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSWGHNFGEEGYIRMARNKGNHCGIASFPSYPEI
  
Inhibitor
Name:
BDBM586632
Synonyms:
D3RKN_105
Type:
Small Organic Molecule
Emp. Form.:
C25H26N6O4
Mol. Mass.:
474.5117
SMILES:
COc1cc(Nc2nccc(n2)N2CCC(C2)NC(=O)c2cccc(c2)C#N)cc(OC)c1OC
Structure:
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