Reaction Details Report a problem with these data
Target
Major capsid protein L1
Ligand
BDBM50089219
Substrate
n/a
Meas. Tech.
ChEMBL_1496026 (CHEMBL3578370)
IC50
19±n/a nM
Citation
 Fu, DY; Jin, S; Zheng, DD; Zha, X; Wu, Y Peptidic inhibitors for in vitro pentamer formation of human papillomavirus capsid protein l1. ACS Med Chem Lett 6:381-5 (2015) [PubMed]  Article 
Target
Name:
Major capsid protein L1
Synonyms:
L1 | Major capsid protein L1 | VL1_HPV16
Type:
PROTEIN
Mol. Mass.:
56288.62
Organism:
Human papillomavirus type 16
Description:
ChEMBL_109768
Residue:
505
Sequence:
MSLWLPSEATVYLPPVPVSKVVSTDEYVARTNIYYHAGTSRLLAVGHPYFPIKKPNNNKILVPKVSGLQYRVFRIHLPDPNKFGFPDTSFYNPDTQRLVWACVGVEVGRGQPLGVGISGHPLLNKLDDTENASAYAANAGVDNRECISMDYKQTQLCLIGCKPPIGEHWGKGSPCTNVAVNPGDCPPLELINTVIQDGDMVDTGFGAMDFTTLQANKSEVPLDICTSICKYPDYIKMVSEPYGDSLFFYLRREQMFVRHLFNRAGAVGENVPDDLYIKGSGSTANLASSNYFPTPSGSMVTSDAQIFNKPYWLQRAQGHNNGICWGNQLFVTVVDTTRSTNMSLCAAISTSETTYKNTNFKEYLRHGEEYDLQFIFQLCKITLTADVMTYIHSMNSTILEDWNFGLQPPPGGTLEDTYRFVTSQAIACQKHTPPAPKEDPLKKYTFWEVNLKEKFSADLDQFPLGRKFLLQAGLKAKPKFTLGKRKATPTTSSTSTTAKRKKRKL
  
Inhibitor
Name:
BDBM50089219
Synonyms:
CHEMBL3577826
Type:
Small organic molecule
Emp. Form.:
C79H124N20O21
Mol. Mass.:
1689.9513
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: