Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50111455
Substrate
n/a
Meas. Tech.
ChEMBL_158814 (CHEMBL761623)
EC50
3±n/a nM
Citation
Dragovich, PS; Prins, TJ; Zhou, R; Brown, EL; Maldonado, FC; Fuhrman, SA; Zalman, LS; Tuntland, T; Lee, CA; Patick, AK; Matthews, DA; Hendrickson, TF; Kosa, MB; Liu, B; Batugo, MR; Gleeson, JP; Sakata, SK; Chen, L; Guzman, MC; Meador, JW; Ferre, RA; Worland, ST Structure-based design, synthesis, and biological evaluation of irreversible human rhinovirus 3C protease inhibitors. 6. Structure-activity studies of orally bioavailable, 2-pyridone-containing peptidomimetics. J Med Chem 45:1607-23 (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:
BDBM50111455
Synonyms:
(1S,5S)-4-((S)-3-(3,4-Difluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-propionylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid isopropyl ester | 4-(3-(3,4-Difluoro-phenyl)-2-{3-[(5-methyl-isoxazole-3-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-propionylamino)-5-(2-oxo-pyrrolidin-3-yl)-pent-2-enoic acid isopropyl ester | CHEMBL291276
Type:
Small organic molecule
Emp. Form.:
C31H33F2N5O7
Mol. Mass.:
625.6198
SMILES:
CC(C)OC(=O)\C=C\[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccc(F)c(F)c1)n1cccc(NC(=O)c2cc(C)on2)c1=O