Target
Nonstructural protein 5A
Ligand
BDBM50505979
Substrate
n/a
Meas. Tech.
ChEMBL_1824459 (CHEMBL4324223)
IC50
0.080000±n/a nM
Citation
 Ramdas, VTalwar, RBanerjee, MJoshi, AADas, AKWalke, DSBorhade, PDhayagude, ULoriya, RGote, GBommakanti, ASivaram, AAgarwal, GGoswami, ANigade, PMehta, MPatil, VModi, DKumar, HMallurwar, SDash, AModi, FKuldharan, SSrivastava, PSingh, MNarasimham, LGundu, JSharma, SKamboj, RKPalle, VP Discovery and Characterization of Potent Pan-Genotypic HCV NS5A Inhibitors Containing Novel Tricyclic Central Core Leading to Clinical Candidate. J Med Chem 62:10563-10582 (2019) [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:
BDBM50505979
Synonyms:
CHEMBL4524363
Type:
Small organic molecule
Emp. Form.:
C45H56N8O6
Mol. Mass.:
804.9761
SMILES:
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc2CC3(Cc4ccc(cc4C3)-c3cnc([nH]3)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)OC)C(C)C)Cc2c1 |r|
Structure:
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