Reaction Details Report a problem with these data
Target
Nonstructural protein 5A
Ligand
BDBM50514772
Substrate
n/a
Meas. Tech.
ChEMBL_1858469 (CHEMBL4359198)
EC50
0.013±n/a nM
Citation
 Kazmierski, WM; Baskaran, S; Walker, JT; Miriyala, N; Meesala, R; Beesu, M; Adjabeng, G; Grimes, RM; Hamatake, R; Leivers, MR; Crosby, R; Xia, B; Remlinger, K GSK2818713, a Novel Biphenylene Scaffold-Based Hepatitis C NS5A Replication Complex Inhibitor with Broad Genotype Coverage. J Med Chem 63:4155-4170 (2020) [PubMed]  Article 
Target
Name:
Nonstructural protein 5A
Synonyms:
NS5A | Nonstructural protein 5A
Type:
PROTEIN
Mol. Mass.:
48587.20
Organism:
Hepatitis C virus
Description:
ChEMBL_108438
Residue:
447
Sequence:
SGSWLRDVWDWICTVLTDFKTWLQSKLLPRIPGVPFLSCQRGYKGVWRGDGIMHTTCPCGAQITGHVKNGSMRIVGPKTCSNTWHGTFPINTYTTGPCTPSPAPNYSRALWRVAAEEYVEVTRVGDFHYVTGMTTDNVKCPCQVPAPEFFTEVDGVRLHRYAPACKPLLREEVTFMVGLNQYLVGSQLPCEPEPDVTVLTSMLTDPSHITAETAGRRLARGSPPSLASSSASQLSAPSLKATCTTRHDSPDADLIEANLLWRQEMGGNITRVESENKVVILDSFDPLQAEEDEREVSVPAEILRKSRKFPRAMPIWARPDYNPPLLESWKDPDYVPPVVHGCPLPPAKAPPIPPPRRKRTVVLTESTVSSALAELATKTFGSSGSSAVDSGTATAPPDQLPGDGDSGSDVESYSSMPPLEGEPGDPDLSDGSWSTMSEEASEDVVCC
  
Inhibitor
Name:
BDBM50514772
Synonyms:
CHEMBL4533823
Type:
Small organic molecule
Emp. Form.:
C45H54N8O7
Mol. Mass.:
818.9597
SMILES:
[H][C@@]12CCC[C@]1([H])N([C@@H](C2)c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1C[C@]2([H])CCC[C@]2([H])N1C(=O)[C@@H](NC(=O)OC)[C@@H](C)O)C(=O)[C@@H](NC(=O)OC)C(C)C |r|
Structure:
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