Ki Summary

Reaction Details

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Target

Papain

Ligand

BDBM50066650

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_152663 (CHEMBL761588)

10000±n/a nM

Citation

LaLonde, JM; Zhao, B; Smith, WW; Janson, CA; DesJarlais, RL; Tomaszek, TA; Carr, TJ; Thompson, SK; Oh, HJ; Yamashita, DS; Veber, DF; Abdel-Meguid, SS Use of papain as a model for the structure-based design of cathepsin K inhibitors: crystal structures of two papain-inhibitor complexes demonstrate binding to S'-subsites. J Med Chem41:4567-76 (1998) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Papain

Name:

Papain

Synonyms:

Allergen=Car p 1 | PAPA1_CARPA | PPI | Papaya proteinase I

Type:

Enzyme

Mol. Mass.:

38923.01

Organism:

Carica papaya

Description:

Papain was purchased from Sigma, Germany.

Residue:

345

Sequence:

MAMIPSISKLLFVAICLFVYMGLSFGDFSIVGYSQNDLTSTERLIQLFESWMLKHNKIYK
NIDEKIYRFEIFKDNLKYIDETNKKNNSYWLGLNVFADMSNDEFKEKYTGSIAGNYTTTE
LSYEEVLNDGDVNIPEYVDWRQKGAVTPVKNQGSCGSCWAFSAVVTIEGIIKIRTGNLNE
YSEQELLDCDRRSYGCNGGYPWSALQLVAQYGIHYRNTYPYEGVQRYCRSREKGPYAAKT
DGVRQVQPYNEGALLYSIANQPVSVVLEAAGKDFQLYRGGIFVGPCGNKVDHAVAAVGYG
PNYILIKNSWGTGWGENGYIRIKRGTGNSYGVCGLYTSSFYPVKN

BDBM50066650

n/a

Name

BDBM50066650

Synonyms:

1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL]AMINO]-2-PROPANONE | CHEMBL281540 | {(S)-1-[3-((S)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester | {1-[3-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-2-oxo-propylcarbamoyl]-3-methyl-butyl}-carbamic acid benzyl ester

Type

Small organic molecule

Emp. Form.

C31H42N4O7

Mol. Mass.

582.6878

SMILES

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

Structure