Ki Summary

Reaction Details

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Target

Cathepsin S

Ligand

BDBM103362

Substrate/Competitor

n/a

Meas. Tech.

In Vitro Inhibition Assay

55±0.0 nM

Citation

Quibell, M; Watts, JP; Flinn, NS Furo[3, 2-B] pyrrol-3-ones as cathespin S inhibitors US Patent US8552202 Publication Date 10/8/2013

More Info.:

Get all data from this article, Assay Method

Cathepsin S

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:

MKRLVCVLLVCSSAVAQLHKDPTLDHHWHLWKKTYGKQYKEKNEEAVRRLIWEKNLKFVM
LHNLEHSMGMHSYDLGMNHLGDMTSEEVMSLMSSLRVPSQWQRNITYKSNPNRILPDSVD
WREKGCVTEVKYQGSCGACWAFSAVGALEAQLKLKTGKLVSLSAQNLVDCSTEKYGNKGC
NGGFMTTAFQYIIDNKGIDSDASYPYKAMDQKCQYDSKYRAATCSKYTELPYGREDVLKE
AVANKGPVSVGVDARHPSFFLYRSGVYYEPSCTQNVNHGVLVVGYGDLNGKEYWLVKNSW
GHNFGEEGYIRMARNKGNHCGIASFPSYPEI

BDBM103362

n/a

Name

BDBM103362

Synonyms:

US8552202, Compound 12

Type

Small organic molecules

Emp. Form.

C23H27ClN6O4

Mol. Mass.

486.951

SMILES

C[C@H]1CC[C@@H](CC1)[C@H](NC(=O)c1cccc(c1)-n1cnnn1)C(=O)N1C[C@@H](Cl)[C@H]2OCC(=O)[C@@H]12 |r,wU:7.8,33.36,28.31,4.4,26.29,wD:1.0,(1.93,4.62,;1.93,3.08,;.6,2.31,;.6,.77,;1.93,,;3.27,.77,;3.27,2.31,;1.93,-1.54,;.6,-2.31,;-.73,-1.54,;-.73,,;-2.07,-2.31,;-2.07,-3.85,;-3.4,-4.62,;-4.73,-3.85,;-4.73,-2.31,;-3.4,-1.54,;-6.07,-1.54,;-7.53,-2.02,;-8.44,-.77,;-7.53,.48,;-6.07,,;3.27,-2.31,;3.27,-3.85,;4.6,-1.54,;4.6,,;6.07,.48,;6.84,1.81,;6.97,-.77,;8.44,-1.25,;8.44,-2.79,;6.97,-3.26,;6.2,-4.6,;6.07,-2.02,)|

Structure