Reaction Details Report a problem with these data
Target
Capsid scaffolding protein
Ligand
BDBM130376
Substrate
n/a
Meas. Tech.
Nuclear Magnetic Resonance (NMR) Assay
pH
8±n/a
IC50
4.7e+3± 4e+2 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:
BDBM130376
Synonyms:
N-[2-Benzyl-4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2- carboxamide (2)
Type:
Small organic molecule
Emp. Form.:
C27H28N6O
Mol. Mass.:
452.5508
SMILES:
O=C(Nc1ccc(cc1Cc1ccccc1)-c1nnn[nH]1)c1cccc(CC2CCCCC2)n1
Structure:
Search PDB for entries with ligand similarity: