Reaction Details Report a problem with these data
Target
Capsid scaffolding protein
Ligand
BDBM130377
Substrate
n/a
Meas. Tech.
Nuclear Magnetic Resonance (NMR) Assay
pH
8±n/a
IC50
3.9e+4± 8e+3 nM
Comments
extracted
Citation
 Gable, JE; Lee, GM; Jaishankar, P; Hearn, BR; Waddling, CA; Renslo, AR; Craik, CS Broad-spectrum allosteric inhibition of herpesvirus proteases. Biochemistry 53:4648-60 (2014) [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:
BDBM130377
Synonyms:
N-[2-Benzyl-4-(methylsulfonylcarbamoyl)phenyl]-6-(cyclohexylmethyl)pyridine-2- carboxamide (3)
Type:
Small organic molecule
Emp. Form.:
C28H31N3O4S
Mol. Mass.:
505.628
SMILES:
CS(=O)(=O)NC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity: