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Target
Nonstructural protein 5A
Ligand
BDBM50505973
Substrate
n/a
Meas. Tech.
ChEMBL_1824460 (CHEMBL4324224)
IC50
0.031±n/a nM
Citation
 Ramdas, V; Talwar, R; Banerjee, M; Joshi, AA; Das, AK; Walke, DS; Borhade, P; Dhayagude, U; Loriya, R; Gote, G; Bommakanti, A; Sivaram, A; Agarwal, G; Goswami, A; Nigade, P; Mehta, M; Patil, V; Modi, D; Kumar, H; Mallurwar, S; Dash, A; Modi, F; Kuldharan, S; Srivastava, P; Singh, M; Narasimham, L; Gundu, J; Sharma, S; Kamboj, RK; Palle, 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:
BDBM50505973
Synonyms:
CHEMBL4528105
Type:
Small organic molecule
Emp. Form.:
C43H52Cl2N8O8
Mol. Mass.:
879.828
SMILES:
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1nc(Cl)c([nH]1)-c1ccc-2c(OCCCOc3cc(ccc-23)-c2[nH]c(nc2Cl)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)c1 |r|
Structure:
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