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Target
RNA-directed RNA polymerase
Ligand
BDBM50482398
Substrate
n/a
Meas. Tech.
ChEMBL_643503 (CHEMBL1212367)
Kd
4480±n/a nM
Citation
 Yang, H; Hendricks, RT; Arora, N; Nitzan, D; Yee, C; Lucas, MC; Yang, Y; Fung, A; Rajyaguru, S; Harris, SF; Leveque, VJ; Hang, JQ; Pogam, SL; Reuter, D; Tavares, GA Cyclic amide bioisosterism: strategic application to the design and synthesis of HCV NS5B polymerase inhibitors. Bioorg Med Chem Lett 20:4614-9 (2010) [PubMed]  Article 
Target
Name:
RNA-directed RNA polymerase
Synonyms:
2.7.7.48 | NS5b | RNA-directed RNA polymerase
Type:
PROTEIN
Mol. Mass.:
65779.30
Organism:
Hepacivirus C
Description:
ChEMBL_118447
Residue:
591
Sequence:
SMSYTWTGALITPCAAEESKLPINALSNSLLRHHNMVYATTSRSASLRQKKVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSVEEACKLTPPHSAKSKFGYGAKDVRNLSSKAVNHIRSVWKDLLEDTETPIDTTIMAKNEVFCVQPEKGGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPGQRVEFLVNTWKSKKCPMGFSYDTRCFDSTVTENDIRVEESIYQCCDLAPEARQAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKASAACRAAKLQDCTMLVCGDDLVVICESAGTQEDAASLRAFTEAMTRYSAPPGDPPQPEYDLELITSCSSNVSVAHDASGKRVYYLTRDPTTPLARAAWETARHTPVNSWLGNIIMYAPTLWARMILMTHFFSILLAQEQLEKALDCQIYGACYSIEPLDLPQIIQRLHGLSAFSLHSYSPGEINRVASCLRKLGVPPLRVWRHRARSVRARLLSQGGRAATCGKYLFNWAVRTKLKLTPIPAASQLDLSSWFVAGYSGGDIYHSLSRARPRWFMWCLLLLSVGVGIYLLPNR
  
Inhibitor
Name:
BDBM50482398
Synonyms:
CHEMBL1210273
Type:
Small organic molecule
Emp. Form.:
C20H21N3O2S
Mol. Mass.:
367.465
SMILES:
C[C@H]1CC[C@@H](CC1)n1nncc1-c1cc(sc1C(O)=O)-c1ccccc1 |r,wU:4.7,wD:1.0,(-.54,-30.31,;.79,-29.54,;2.13,-30.31,;3.45,-29.53,;3.45,-27.99,;2.11,-27.23,;.78,-28,;4.78,-27.22,;6.02,-28.13,;7.26,-27.22,;6.78,-25.76,;5.24,-25.77,;4.33,-24.52,;2.79,-24.57,;2.27,-23.12,;3.49,-22.17,;4.77,-23.04,;6.11,-22.27,;7.43,-23.05,;6.11,-20.73,;.93,-22.36,;.92,-20.82,;-.42,-20.06,;-1.75,-20.84,;-1.73,-22.39,;-.39,-23.14,)|
Structure:
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