Target
Capsid scaffolding protein
Ligand
BDBM50133962
Substrate
n/a
Meas. Tech.
ChEMBL_158964 (CHEMBL769610)
Ki
2±n/a nM
Citation
 Borthwick, ADDavies, DEErtl, PFExall, AMHaley, TMHart, GJJackson, DLParry, NRPatikis, ATrivedi, NWeingarten, GGWoolven, JM Design and synthesis of pyrrolidine-5,5'-trans-lactams (5-oxo-hexahydropyrrolo[3,2-b]pyrroles) as novel mechanism-based inhibitors of human cytomegalovirus protease. 4. Antiviral activity and plasma stability. J Med Chem 46:4428-49 (2003) [PubMed]  Article 
Target
Name:
Capsid scaffolding protein
Synonyms:
APNG | Assemblin | Assembly protein | Capsid protein P40 | Human cytomegalovirus protease (HCMV Pr) | Human herpes virus 5 capsid protein P40 | Protease precursor | SCAF_HCMVA | UL80 | pPR
Type:
PROTEIN
Mol. Mass.:
73854.16
Organism:
Human cytomegalovirus (strain AD169) (HHV-5) (Human herpesvirus 5)
Description:
ChEMBL_158958
Residue:
708
Sequence:
MTMDEQQSQAVAPVYVGGFLARYDQSPDEAELLLPRDVVEHWLHAQGQGQPSLSVALPLNINHDDTAVVGHVAAMQSVRDGLFCLGCVTSPRFLEIVRRASEKSELVSRGPVSPLQPDKVVEFLSGSYAGLSLSSRRCDDVEAATSLSGSETTPFKHVALCSVGRRRGTLAVYGRDPEWVTQRFPDLTAADRDGLRAQWQRCGSTAVDASGDPFRSDSYGLLGNSVDALYIRERLPKLRYDKQLVGVTERESYVKASVSPEAACDIKAASAERSGDSRSQAATPAAGARVPSSSPSPPVEPPSPVQPPALPASPSVLPAESPPSLSPSEPAEAASMSHPLSAAVPAATAPPGATVAGASPAVSSLAWPHDGVYLPKDAFFSLLGASRSAVPVMYPGAVAAPPSASPAPLPLPSYPASYGAPVVGYDQLAARHFADYVDPHYPGWGRRYEPAPSLHPSYPVPPPPSPAYYRRRDSPGGMDEPPSGWERYDGGHRGQSQKQHRHGGSGGHNKRRKETAAASSSSSDEDLSFPGEAEHGRARKRLKSHVNSDGGSGGHAGSNQQQQQRYDELRDAIHELKRDLFAARQSSTLLSAALPSAASSSPTTTTVCTPTGELTSGGGETPTALLSGGAKVAERAQAGVVNASCRLATASGSEAATAGPSTAGSSSCPASVVLAAAAAQAAAASQSPPKDMVDLNRRIFVAALNKLE
  
Inhibitor
Name:
BDBM50133962
Synonyms:
(3S,3aR,6aS)-4-({(2S)-1-[(5-Chloro-3-methyl-1-benzothien-2-yl)carbonyl]pyrrolidin-2-yl}carbonyl)-1-(cyclopropylcarbonyl)-3-methylhexahydropyrrolo[3,2-b]pyrrol-2(1H)-one | (3S,3aR,6aS)-4-[(S)-1-(5-Chloro-3-methyl-benzo[b]thiophene-2-carbonyl)-pyrrolidine-2-carbonyl]-1-cyclopropanecarbonyl-3-methyl-hexahydro-pyrrolo[3,2-b]pyrrol-2-one | CHEMBL336034
Type:
Small organic molecule
Emp. Form.:
C26H28ClN3O4S
Mol. Mass.:
514.036
SMILES:
C[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]2CCCN2C(=O)c2sc3ccc(Cl)cc3c2C)N(C(=O)C2CC2)C1=O |r|
Structure:
Search PDB for entries with ligand similarity: