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Target
Major capsid protein L1
Ligand
BDBM50089220
Substrate
n/a
Meas. Tech.
ChEMBL_1496026 (CHEMBL3578370)
IC50
48±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:
BDBM50089220
Synonyms:
CHEMBL3577825
Type:
Small organic molecule
Emp. Form.:
C77H134N22O17
Mol. Mass.:
1640.0251
SMILES:
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Structure:
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