Ki Summary

Reaction Details

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Target

Genome polyprotein

Ligand

BDBM50112651

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_161086 (CHEMBL771547)

EC50

460±n/a nM

Citation

Johnson, TO; Hua, Y; Luu, HT; Brown, EL; Chan, F; Chu, SS; Dragovich, PS; Eastman, BW; Ferre, RA; Fuhrman, SA; Hendrickson, TF; Maldonado, FC; Matthews, DA; Meador, JW; Patick, AK; Reich, SH; Skalitzky, DJ; Worland, ST; Yang, M; Zalman, LS Structure-based design of a parallel synthetic array directed toward the discovery of irreversible inhibitors of human rhinovirus 3C protease. J Med Chem45:2016-23 (2002) [PubMed]

More Info.:

Get all data from this article, Assay Method

Genome polyprotein

Name:

Genome polyprotein

Synonyms:

Human rhinovirus A protease | Human rhinovirus B 3A protease

Type:

PROTEIN

Mol. Mass.:

44361.04

Organism:

Human rhinovirus B

Description:

ChEMBL_158953

Residue:

401

Sequence:

AFRPCNVNTKIGNAKCCPFVCGKAVTFKDRSTCSTYNLSSSLHHILEEDKRRRQVVDVMS
AIFQGPISLDAPPPPAIADLLQSVRTPRVIKYCQIIMGHPAECQVERDLNIANSIIAIIA
NIISIAGIIFVIYKLFCSLQGPYSGEPKPKTKVPERRVVAQGPEEEFGRSILKNNTCVIT
TGNGKFTGLGIHDRILIIPTHADPGREVQVNGVHTKVLDSYDLYNRDGVKLEITVIQLDR
NEKFRDIRKYIPETEDDYPECNLALSANQDEPTIIKVGDVVSYGNILLSGNQTARMLKYN
YPTKSGYCGGVLYKIGQILGIHVGGNGRDGFSAMLLRSYFTGQIKVNKHATECGLPDIQT
IHTPSKTKLQPSVFYDVFPGSKEPAVLTDNDPRLEVNFKEA

BDBM50112651

n/a

Name

BDBM50112651

Synonyms:

4-[(6-Chloro-2H-chromene-3-carbonyl)-amino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester | 4S-[(6-Chloro-2H-chromene-3-carbonyl)amino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic Acid Ethyl Ester | CHEMBL293441

Type

Small organic molecule

Emp. Form.

C21H23ClN2O5

Mol. Mass.

418.871

SMILES

CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)C1=Cc2cc(Cl)ccc2OC1 |r,t:19|

Structure