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Target
Genome polyprotein
Ligand
BDBM50111469
Substrate
n/a
Meas. Tech.
ChEMBL_1758772 (CHEMBL4193780)
EC50
>100000±n/a nM
Citation
 Li, P; Yu, J; Hao, F; He, H; Shi, X; Hu, J; Wang, L; Du, C; Zhang, X; Sun, Y; Lin, F; Gu, Z; Xu, D; Chen, X; Shen, L; Hu, G; Li, J; Chen, S; Xiao, W; Wang, Z; Guo, Q; Chang, X; Tian, X; Lin, T Discovery of Potent EV71 Capsid Inhibitors for Treatment of HFMD. ACS Med Chem Lett 8:841-846 (2017) [PubMed]  Article 
Target
Name:
Genome polyprotein
Synonyms:
2.7.7.48 | 3.4.22.28 | 3.4.22.29 | 3.6.1.15 | 3D polymerase | 3Dpol | Capsid protein VP0 | Capsid protein VP1 | Capsid protein VP2 | Capsid protein VP3 | Capsid protein VP4 | Genome polyprotein | P1A | P1B | P1C | P1D | P2A | P2B | P2C | P3A | P3B | P3C | POLG_HE71B | Picornain 2A | Protease 2A | Protease 3C | Protein 2A | Protein 2B | Protein 2C | Protein 3A | Protein 3AB | Protein 3B | Protein 3CD | Protein 3D | RNA-directed RNA polymerase | RdRp | VP4-VP2 | VPg | Viral protein genome-linked | Virion protein 1 | Virion protein 2 | Virion protein 3 | Virion protein 4
Type:
PROTEIN
Mol. Mass.:
242858.59
Organism:
Human enterovirus 71 (strain BrCr) (Ev 71)
Description:
ChEMBL_117851
Residue:
2193
Sequence:
MGSQVSTQRSGSHENSNSATEGSTINYTTINYYKDSYAATAGKQSLKQDPDKFANPVKDIFTEMAAPLKSPSAEACGYSDRVAQLTIGNSTITTQEAANIIVGYGEWPSYCSDNDATAVDKPTRPDVSVNRFYTLDTKLWEKSSKGWYWKFPDVLTETGVFGPNAQFHYLYRSGFCIHVQCNASKFHQGALLVAVLPEYVIGTVAGGTGTENSHPPYKQTQPGADGFELQHPYVLDAGIPISQLTVCPHQWINLRTNNCATIIVPYMNTLPFDSALNHCNFGLLVVPISPLDFDQGATPVIPITITLAPMCSEFAGLRQAVTQGFPTELKPGTNQFLTTDDGVSAPILPNFHPTPCIHIPGEVRNLLELCQVETILEVNNVPTNATSLMERLRFPVSAQAGKGELCAVFRADPGRDGPWQSTMLGQLCGYYTQWSGSLEVTFMFTGSFMATGKMLIAYTPPGGPLPKDRATAMLGTHVIWDFGLQSSVTLVIPWISNTHYRAHARDGVFDYYTTGLVSIWYQTNYVVPIGAPNTAYIIALAAAQKNFTMKLCKDTSDILETATIQGDRVADVIESSIGDSVSKALTPALPAPTGPDTQVSSHRLDTGKVPALQAAEIGASSNASDESMIETRCVLNSHSTAETTLDSFFSRAGLVGEIDLPLKGTTNPNGYANWDIDITGYAQMRRKVELFTYMRFDAEFTFVACTPTGRVVPQLLQYMFVPPGAPKPDSRDSLAWPTATNPSVFVKSSDPPAQVSVPFMSPASAYQWFYDGYPTFGEHKQEKDLEYGACPNNMMGTFSVRTVGSSKSEYSLVIRIYMRMKHVRAWIPRPMRNQNYLFKSNPNYAGDSIKPTGTSRTAITTLGKFGQQSGAIYVGNFRVVNRHLATHTDWANLVWEDSSRDLLVSSTTAQGCDTIARCNCQTGVYYCNSRRKHYPVSFSKPSLVFVEASEYYPARYQSHLMLAEGHSEPGDCGGILRCQHGVVGIVSTGGSGLVGFADVRDLLWLDEEAMEQGVSDYIKGLGRAFGTGFTDAVSREVEALKNHLIGSEGAVEKILKNLVKLISALVIVIRSDYDMVTLTATLALIGCHGSPWAWIKSKTASILGIPMAQKQSASWLKKFNDMANAAKGLEWIFNKISKFIDWLKEKIIPAAKEKVEFLNNLKQLPLLENQVSNLEQSAASQEDLEAMFGNVIYLAHFCRKFQPLYATEAKRVYALEKRMNNYMQFKSKHRIEPVCLIIRGSPGTGKSLATGIIARAIADKYRSSVYSLPPDPDHFDGYKQQVVAVMDDLCQNPDGKDMSLFCQMVSTVDFVPPMASLEEKGVSFTSKFVIASTNASNIIVPTVSDSDAIRRRFYMDCDIEVTDSYKTDLGRLDAGRAAKLCTENNTANFKRCSPLVCGKAIQLRDRKSKVRYSVDTVVSELIREYNNRSAIGNTIEALFQGPPKFRPIRISLEEKPAPDAISDLLASVDSEEVRQYCREQGWIIPETPTNVERHLNRAVLVMQSIATVVAVVSLVYVIYKLFAGFQGAYSGAPKPILKKPVLRTATVQGPSLDFALSLLRRNIRQAQTDQGHFTMLGVRDRLAILPRHSQPGKTIWVEHKLINVLDAVELVDEQGVNLELTLVTLDTNEKFRDITKCIPEVITGASDATLVINTEHIPSMFVPVGDVVQYGFLNLSGKPTHRTMMYNFPTKPGQCGGVVTSVGKIIGIHIGGNGRQAFCAGLKRSYFASEQGEIQWMKPNRETGRLNINGPTRTKLEPSVFHDVFEGNKEPAVLTSKDPRLEVDFEQALFSKYVGNTLHEPDEYVTQAALHYANQLKQLDINTSKMSMEEACYGTEYLEAIDLHTSAGYPYSALGIKKRDILDPVTRDTSRMKLYMDKYGLDLPNSTYVKDELSSLDKIRKGESRLIEASSLNDPVYPRLTFGHLYEVFHANPGTVTGSAVGCNPDVFWSKLPILLPGSLFAFDYSGYDASLSPVWFRALELVLREIGYSEEAVSLIEGINHTHHVYRNKTYCVLGGMPSGCSGTSIFNSMINNIIIRTLLIKTFKGIDLDELKMVAYGDDVLASYPFPIDCLEWGKTGKEYGLTMTPADKSPCFNEVTWENATFLKRGFLPDHQFPFLIHPTMPMREIHESIRWTKDARNTQDHVRSLCLLAWHNGKEEYEKFVSTIRSVPIGRALAIPNLENLRRNWLELF
  
Inhibitor
Name:
BDBM50111469
Synonyms:
3-(3,5-dimethyl-4-(3-(3-methylisoxazol-5-yl)propoxy)phenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole | 3-{3,5-Dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole | 3-{3,5-Dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole(Pleconaril) | 5-[3-[2,6-dimethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]propyl]-3-methylisoxazole | CHEMBL29609 | Pleconaril | Pleconaril3-{3,5-Dimethyl-4-[3-(3-methyl-isoxazol-5-yl)-propoxy]-phenyl}-5-trifluoromethyl-[1,2,4]oxadiazole
Type:
Small organic molecule
Emp. Form.:
C18H18F3N3O3
Mol. Mass.:
381.349
SMILES:
Cc1cc(CCCOc2c(C)cc(cc2C)-c2noc(n2)C(F)(F)F)on1
Structure:
Search PDB for entries with ligand similarity: