| Reaction Details |
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 | Report a problem with these data |
| Target | Genome polyprotein |
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| Ligand | BDBM50436488 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_966615 (CHEMBL2399649) |
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| IC50 | 1800±n/a nM |
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| Citation |  Mandadapu, SR; Weerawarna, PM; Prior, AM; Uy, RA; Aravapalli, S; Alliston, KR; Lushington, GH; Kim, Y; Hua, DH; Chang, KO; Groutas, WC Macrocyclic inhibitors of 3C and 3C-like proteases of picornavirus, norovirus, and coronavirus. Bioorg Med Chem Lett23:3709-12 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Genome polyprotein |
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| Name: | Genome polyprotein |
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| Synonyms: | 3C-like proteinase (CVB3 3Cpro) | Genome polyprotein | P1A | P1B | P1C | P1D | P2A | P2B | P2C | P3A | P3B | P3C | P3D-POL | POLG_CXB3N | Picornain 3C | Polyprotein | Protease 2A | Protease 3C | Protein 2A | Protein 2B | Protein 2C | Protein 3A | Protein 3B | Protein VP0 | Protein VP1 | Protein VP2 | Protein VP3 | Protein VP4 | RNA-directed RNA polymerase 3D-POL | VP4-VP2 | VPg | Virion protein 1 | Virion protein 2 | Virion protein 3 | Virion protein 4 |
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| Type: | Enzyme |
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| Mol. Mass.: | 243464.96 |
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| Organism: | Coxsackievirus B3 (strain Nancy) |
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| Description: | P03313 |
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| Residue: | 2185 |
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| Sequence: | MGAQVSTQKTGAHETRLNASGNSIIHYTNINYYKDAASNSANRQDFTQDPGKFTEPVKDI
MIKSLPALNSPTVEECGYSDRARSITLGNSTITTQECANVVVGYGVWPDYLKDSEATAED
QPTQPDVATCRFYTLDSVQWQKTSPGWWWKLPDALSNLGLFGQNMQYHYLGRTGYTVHVQ
CNASKFHQGCLLVVCVPEAEMGCATLDNTPSSAELLGGDTAKEFADKPVASGSNKLVQRV
VYNAGMGVGVGNLTIFPHQWINLRTNNSATIVMPYTNSVPMDNMFRHNNVTLMVIPFVPL
DYCPGSTTYVPITVTIAPMCAEYNGLRLAGHQGLPTMNTPGSCQFLTSDDFQSPSAMPQY
DVTPEMRIPGEVKNLMEIAEVDSVVPVQNVGEKVNSMEAYQIPVRSNEGSGTQVFGFPLQ
PGYSSVFSRTLLGEILNYYTHWSGSIKLTFMFCGSAMATGKFLLAYSPPGAGAPTKRVDA
MLGTHVIWDVGLQSSCVLCIPWISQTHYRFVASDEYTAGGFITCWYQTNIVVPADAQSSC
YIMCFVSACNDFSVRLLKDTPFISQQNFFQGPVEDAITAAIGRVADTVGTGPTNSEAIPA
LTAAETGHTSQVVPGDTMQTRHVKNYHSRSESTIENFLCRSACVYFTEYKNSGAKRYAEW
VLTPRQAAQLRRKLEFFTYVRFDLELTFVITSTQQPSTTQNQDAQILTHQIMYVPPGGPV
PDKVDSYVWQTSTNPSVFWTEGNAPPRMSIPFLSIGNAYSNFYDGWSEFSRNGVYGINTL
NNMGTLYARHVNAGSTGPIKSTIRIYFKPKHVKAWIPRPPRLCQYEKAKNVNFQPSGVTT
TRQSITTMTNTGAFGQQSGAVYVGNYRVVNRHLATSADWQNCVWESYNRDLLVSTTTAHG
CDIIARCQCTTGVYFCASKNKHYPISFEGPGLVEVQESEYYPRRYQSHVLLAAGFSEPGD
CGGILRCEHGVIGIVTMGGEGVVGFADIRDLLWLEDDAMEQGVKDYVEQLGNAFGSGFTN
QICEQVNLLKESLVGQDSILEKSLKALVKIISALVIVVRNHDDLITVTATLALIGCTSSP
WRWLKQKVSQYYGIPMAERQNNSWLKKFTEMTNACKGMEWIAVKIQKFIEWLKVKILPEV
REKHEFLNRLKQLPLLESQIATIEQSAPSQSDQEQLFSNVQYFAHYCRKYAPLYAAEAKR
VFSLEKKMSNYIQFKSKCRIEPVCLLLHGSPGAGKSVATNLIGRSLAEKLNSSVYSLPPD
PDHFDGYKQQAVVIMDDLCQNPDGKDVSLFCQMVSSVDFVPPMAALEEKGILFTSPFVLA
STNAGSINAPTVSDSRALARRFHFDMNIEVISMYSQNGKINMPMSVKTCDDECCPVNFKK
CCPLVCGKAIQFIDRRTQVRYSLDMLVTEMFREYNHRHSVGTTLEALFQGPPVYREIKIS
VAPETPPPPAIADLLKSVDSEAVREYCKEKGWLVPEINSTLQIEKHVSRAFICLQALTTF
VSVAGIIYIIYKLFAGFQGAYTGVPNQKPRVPTLRQAKVQGPAFEFAVAMMKRNSSTVKT
EYGEFTMLGIYDRWAVLPRHAKPGPTILMNDQEVGVLDAKELVDKDGTNLELTLLKLNRN
EKFRDIRGFLAKEEVEVNEAVLAINTSKFPNMYIPVGQVTEYGFLNLGGTPTKRMLMYNF
PTRAGQCGGVLMSTGKVLGIHVGGNGHQGFSAALLKHYFNDEQGEIEFIESSKDAGFPVI
NTPSKTKLEPSVFHQVFEGNKEPAVLRSGDPRLKANFEEAIFSKYIGNVNTHVDEYMLEA
VDHYAGQLATLDISTEPMKLEDAVYGTEGLEALDLTTSAGYPYVALGIKKRDILSKKTKD
LTKLKECMDKYGLNLPMVTYVKDELRSIEKVAKGKSRLIEASSLNDSVAMRQTFGNLYKT
FHLNPGVVTGSAVGCDPDLFWSKIPVMLDGHLIAFDYSGYDASLSPVWFACLKMLLEKLG
YTHKETNYIDYLCNSHHLYRDKHYFVRGGMPSGCSGTSIFNSMINNIIIRTLMLKVYKGI
DLDQFRMIAYGDDVIASYPWPIDASLLAEAGKGYGLIMTPADKGECFNEVTWTNATFLKR
YFRADEQYPFLVHPVMPMKDIHESIRWTKDPKNTQDHVRSLCLLAWHNGEHEYEEFIRKI
RSVPVGRCLTLPAFSTLRRKWLDSF
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| BDBM50436488 |
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| n/a |
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| Name | BDBM50436488 |
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| Synonyms: | CHEMBL2397338 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H37N7O6 |
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| Mol. Mass. | 555.626 |
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| SMILES | CC(C)C[C@@H]1NC(=O)[C@H](Cc2cn(CCCNC(=O)CC[C@H](NC1=O)C=O)nn2)NC(=O)OCc1ccccc1 |r| |
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| Structure | 
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