Reaction Details Report a problem with these data
Target
Genome polyprotein
Ligand
BDBM50065595
Substrate
n/a
Meas. Tech.
ChEMBL_160898 (CHEMBL771794)
Ki
10±n/a nM
Citation
Webber, SE; Okano, K; Little, TL; Reich, SH; Xin, Y; Fuhrman, SA; Matthews, DA; Love, RA; Hendrickson, TF; Patick, AK; Meador, JW; Ferre, RA; Brown, EL; Ford, CE; Binford, SL; Worland, ST Tripeptide aldehyde inhibitors of human rhinovirus 3C protease: design, synthesis, biological evaluation, and cocrystal structure solution of P1 glutamine isosteric replacements. J Med Chem 41:2786-805 (1998) [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:
BDBM50065595
Synonyms:
((S)-1-{(S)-1-[(S)-2-(3,3-Dimethyl-ureido)-1-formyl-ethylcarbamoyl]-2-phenyl-ethylcarbamoyl}-3-methyl-butyl)-carbamic acid benzyl ester | CHEMBL97601
Type:
Small organic molecule
Emp. Form.:
C29H39N5O6
Mol. Mass.:
553.6499
SMILES:
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CNC(=O)N(C)C)C=O