Reaction Details Report a problem with these data
Target
Capsid scaffolding protein
Ligand
BDBM50133979
Substrate
n/a
Meas. Tech.
ChEMBL_158964 (CHEMBL769610)
Ki
39±n/a nM
Citation
 Borthwick, AD; Davies, DE; Ertl, PF; Exall, AM; Haley, TM; Hart, GJ; Jackson, DL; Parry, NR; Patikis, A; Trivedi, N; Weingarten, GG; Woolven, 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:
BDBM50133979
Synonyms:
(3S,3aR,6aS)-1-Cyclopropanecarbonyl-4-[(S)-1-(4-isopropoxy-benzenesulfonyl)-pyrrolidine-2-carbonyl]-3-methyl-hexahydro-pyrrolo[3,2-b]pyrrol-2-one | CHEMBL138427
Type:
Small organic molecule
Emp. Form.:
C25H33N3O6S
Mol. Mass.:
503.611
SMILES:
CC(C)Oc1ccc(cc1)S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H]1[C@H](C)C(=O)N2C(=O)C1CC1
Structure:
Search PDB for entries with ligand similarity: