Ki Summary

Reaction Details

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Target

Cruzipain

Ligand

BDBM50054471

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_595793 (CHEMBL1048800)

IC50

30000±n/a nM

Citation

Jadhav, A; Ferreira, RS; Klumpp, C; Mott, BT; Austin, CP; Inglese, J; Thomas, CJ; Maloney, DJ; Shoichet, BK; Simeonov, A Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. J Med Chem53:37-51 (2010) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Cruzipain

Name:

Cruzipain

Synonyms:

CYSP_TRYCR | Cruzain | Cruzaine | Major cysteine proteinase

Type:

Protein

Mol. Mass.:

49831.41

Organism:

Trypanosoma cruzi

Description:

P25779

Residue:

467

Sequence:

MSGWARALLLAAVLVVMACLVPAATASLHAEETLTSQFAEFKQKHGRVYESAAEEAFRLS
VFRENLFLARLHAAANPHATFGVTPFSDLTREEFRSRYHNGAAHFAAAQERARVPVKVEV
VGAPAAVDWRARGAVTAVKDQGQCGSCWAFSAIGNVECQWFLAGHPLTNLSEQMLVSCDK
TDSGCSGGLMNNAFEWIVQENNGAVYTEDSYPYASGEGISPPCTTSGHTVGATITGHVEL
PQDEAQIAAWLAVNGPVAVAVDASSWMTYTGGVMTSCVSEQLDHGVLLVGYNDSAAVPYW
IIKNSWTTQWGEEGYIRIAKGSNQCLVKEEASSAVVGGPGPTPEPTTTTTTSAPGPSPSY
FVQMSCTDAACIVGCENVTLPTGQCLLTTSGVSAIVTCGAETLTEEVFLTSTHCSGPSVR
SSVPLNKCNRLLRGSVEFFCGSSSSGRLADVDRQRRHQPYHSRHRRL

BDBM50054471

n/a

Name

BDBM50054471

Synonyms:

(5Z,8Z)-Icosa-5,8,11,14-tetraenoic acid (4-hydroxy-phenyl)-amide | (5Z,8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (4-hydroxy-phenyl)-amide | (5Z,8Z,11Z,14Z)-N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide | (8Z,11Z,14Z)-Icosa-5,8,11,14-tetraenoic acid (4-hydroxy-phenyl)-amide | AM-404 | AM404 | CHEMBL39878 | Icosa-5,8,11,14-tetraenoic acid (4-hydroxy-phenyl)-amide | N-(4-hydroxyphenyl)-(5Z,8Z,11Z,14Z)-icosatetra-5,8,11,14-enamide | N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide | cid_6604822

Type

Small organic molecule

Emp. Form.

C26H37NO2

Mol. Mass.

395.5775

SMILES

CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(O)cc1

Structure