Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50112655
Substrate
n/a
Meas. Tech.
ChEMBL_161089 (CHEMBL771550)
EC50
1400±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 Chem 45:2016-23 (2002) [PubMed] Article
More Info.:
Target
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:
AFRPCNVNTKIGNAKCCPFVCGKAVTFKDRSTCSTYNLSSSLHHILEEDKRRRQVVDVMSAIFQGPISLDAPPPPAIADLLQSVRTPRVIKYCQIIMGHPAECQVERDLNIANSIIAIIANIISIAGIIFVIYKLFCSLQGPYSGEPKPKTKVPERRVVAQGPEEEFGRSILKNNTCVITTGNGKFTGLGIHDRILIIPTHADPGREVQVNGVHTKVLDSYDLYNRDGVKLEITVIQLDRNEKFRDIRKYIPETEDDYPECNLALSANQDEPTIIKVGDVVSYGNILLSGNQTARMLKYNYPTKSGYCGGVLYKIGQILGIHVGGNGRDGFSAMLLRSYFTGQIKVNKHATECGLPDIQTIHTPSKTKLQPSVFYDVFPGSKEPAVLTDNDPRLEVNFKEA
Inhibitor
Name:
BDBM50112655
Synonyms:
4-[(Naphthalene-2-carbonyl)-amino]-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid ethyl ester | 4S-[(Naphthalene-2-carbonyl)amino]-5-(2-oxopyrrolidin-3S-yl)pent-2-enoic Acid Ethyl Ester | CHEMBL62681
Type:
Small organic molecule
Emp. Form.:
C22H24N2O4
Mol. Mass.:
380.437
SMILES:
CCOC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)c1ccc2ccccc2c1 |r|