Ki Summary

Reaction Details

Report a problem with these data

Target

RNA-directed RNA polymerase

Ligand

BDBM50160861

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_305682 (CHEMBL828054)

IC50

240±n/a nM

Citation

Mashino, T; Shimotohno, K; Ikegami, N; Nishikawa, D; Okuda, K; Takahashi, K; Nakamura, S; Mochizuki, M Human immunodeficiency virus-reverse transcriptase inhibition and hepatitis C virus RNA-dependent RNA polymerase inhibition activities of fullerene derivatives. Bioorg Med Chem Lett15:1107-9 (2005) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

RNA-directed RNA polymerase

Name:

RNA-directed RNA polymerase

Synonyms:

Hepatitis C virus NS5B RNA-dependent RNA polymerase | NS5B protein

Type:

Protein

Mol. Mass.:

25173.95

Organism:

Hepatitis C virus

Description:

Q8JXU8

Residue:

229

Sequence:

RTEEAIYQCCDLDPQARVAIRSLTERLYVGGPLTNSRGENCGYRRRASGVLTTSCGNTLT
CYIKAQAACRAAGRQDCTMLVCGDDLVVICESAGVQEDAASLRAFTEAMTRYSAPPGDPP
QPEYDLELITSCSSNVSVAHDGAGKRVYYLTRDPTTPLARAAWETARHTPVNSWLGNIIM
FAPTLWVRMIMLTHFFSVLIARDQLEQALDCEIYGACYSIEPLLPPIIQ

BDBM50160861

n/a

Name

BDBM50160861

Synonyms:

CHEMBL414976 | Fullerene Derivative

Type

Small organic molecule

Emp. Form.

C68H28N2

Mol. Mass.

872.9622

SMILES

C[N+]1(C)C[C@@]23[C@@H]4[C@@H]5c6c7-c8c5c5c9c%10c%11c%12[C@H]%13[C@H]%14c%15c%16C%17=C%18[C@H]%19[C@@H]%20C(C%21=C2[C@H]2[C@H]%22c(c%21c%16%20)c%15-c%12c%22c%10c5=C42)=C2c4c%19c5c%18c%10c%12c%15c(c%13c%11c%11c%15c(c8c9%11)c8c7c(c4c6[C@]32C1)c5c%128)[C@]%101C[N+](C)(C)C[C@]%14%171 |wU:69.100,63.92,59.83,27.28,17.18,16.61,wD:4.27,22.22,5.47,23.24,28.41,6.10,c:21,26,46,49,(-6.34,1.46,;-5.6,.71,;-6.13,-.2,;-5.05,1.81,;-3.77,1.72,;-4.35,.86,;-4.38,-.91,;-3.85,-1.82,;-2.98,-3.27,;-3,-3.26,;-3.85,-1.81,;-3.31,-.9,;-1.9,-1.47,;-1.01,-.05,;.77,-.07,;1.68,1.38,;3.3,.76,;3.94,1.7,;2.84,3.1,;2.84,2.99,;3.72,1.53,;3.26,.66,;1.89,1.28,;.92,2.86,;-.95,2.76,;-1.43,3.61,;-2.94,3.19,;-3.13,3.36,;-1.56,3.93,;-.02,4.25,;.01,4.14,;1.48,3.63,;1.34,3.61,;.77,2.77,;-1,2.83,;-1.89,1.38,;-3.31,.86,;-3.92,1.75,;-1.81,1.27,;-.96,-.16,;.82,-.23,;1.68,-1.63,;3.11,-1.11,;3.64,-1.98,;2.76,-3.38,;2.75,-3.38,;3.66,-1.97,;3.18,-1.11,;1.66,-1.54,;.74,-2.95,;1.28,-3.88,;-.14,-4.4,;-1.57,-3.83,;-1.01,-2.94,;-.13,-4.42,;-1.55,-3.86,;-.98,-3.02,;-1.85,-1.57,;-3.26,-.98,;-3.23,.76,;-4.53,-.12,;.79,-3.03,;1.3,-3.91,;4.23,-1.12,;5.23,-1.39,;6.22,-.29,;7.27,.76,;7.27,-1.34,;5.34,.92,;4.34,.63,)|

Structure