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Target
Genome polyprotein
Ligand
BDBM50462014
Substrate
n/a
Meas. Tech.
ChEMBL_1772461 (CHEMBL4224573)
IC50
850±n/a nM
Citation
 Jung, E; Lee, JY; Kim, HJ; Ryu, CK; Lee, KI; Kim, M; Lee, CK; Go, YY Identification of quinone analogues as potential inhibitors of picornavirus 3C protease in vitro. Bioorg Med Chem Lett 28:2533-2538 (2018) [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_HRV14 | 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.:
243010.65
Organism:
Human rhinovirus 14
Description:
ChEMBL_117809
Residue:
2179
Sequence:
MGAQVSTQKSGSHENQNILTNGSNQTFTVINYYKDAASTSSAGQSLSMDPSKFTEPVKDLMLKGAPALNSPNVEACGYSDRVQQITLGNSTITTQEAANAVVCYAEWPEYLPDVDASDVNKTSKPDTSVCRFYTLDSKTWTTGSKGWCWKLPDALKDMGVFGQNMFFHSLGRSGYTVHVQCNATKFHSGCLLVVVIPEHQLASHEGGNVSVKYTFTHPGERGIDLSSANEVGGPVKDVIYNMNGTLLGNLLIFPHQFINLRTNNTATIVIPYINSVPIDSMTRHNNVSLMVIPIAPLTVPTGATPSLPITVTIAPMCTEFSGIRSKSIVPQGLPTTTLPGSGQFLTTDDRQSPSALPNYEPTPRIHIPGKVHNLLEIIQVDTLIPMNNTHTKDEVNSYLIPLNANRQNEQVFGTNLFIGDGVFKTTLLGEIVQYYTHWSGSLRFSLMYTGPALSSAKLILAYTPPGARGPQDRREAMLGTHVVWDIGLQSTIVMTIPWTSGVQFRYTDPDTYTSAGFLSCWYQTSLILPPETTGQVYLLSFISACPDFKLRLMKDTQTISQTVALTEGLGDELEEVIVEKTKQTVASISSGPKHTQKVPILTANETGATMPVLPSDSIETRTTYMHFNGSETDVECFLGRAACVHVTEIQNKDATGIDNHREAKLFNDWKINLSSLVQLRKKLELFTYVRFDSEYTILATASQPDSANYSSNLVVQAMYVPPGAPNPKEWDDYTWQSASNPSVFFKVGDTSRFSVPYVGLASAYNCFYDGYSHDDAETQYGITVLNHMGSMAFRIVNEHDEHKTLVKIRVYHRAKHVEAWIPRAPRALPYTSIGRTNYPKNTEPVIKKRKGDIKSYGLGPRYGGIYTSNVKIMNYHLMTPEDHHNLIAPYPNRDLAIVSTGGHGAETIPHCNCTSGVYYSTYYRKYYPIICEKPTNIWIEGNPYYPSRFQAGVMKGVGPAEPGDCGGILRCIHGPIGLLTAGGSGYVCFADIRQLECIAEEQGLSDYITGLGRAFGVGFTDQISTKVTELQEVAKDFLTTKVLSKVVKMVSALVIICRNHDDLVTVTATLALLGCDGSPWRFLKMYISKHFQVPYIERQANDGWFRKFNDACNAAKGLEWIANKISKLIEWIKNKVLPQAKEKLEFCSKLKQLDILERQITTMHISNPTQEKREQLFNNVLWLEQMSQKFAPLYAVESKRIRELKNKMVNYMQFKSKQRIEPVCVLIHGTPGSGKSLTTSIVGRAIAEHFNSAVYSLPPDPKHFDGYQQQEVVIMDDLNQNPDGQDISMFCQMVSSVDFLPPMASLDNKGMLFTSNFVLASTNSNTLSPPTILNPEALVRRFGFDLDICLHTTYTKNGKLNAGMSTKTCKDCHQPSNFKKCCPLVCGKAISLVDRTTNIRYSVDQLVTAIISDFKSKMQITDSLETLFQGPVYKDLEIDVCNTPPPECINDLLKSVDSEEIREYCKKKKWIIPEIPTNIERAMNQASMIINTILMFVSTLGIVYVIYKLFAQTQGPYSGNPPHNKLKAPTLRPVVVQGPNTEFALSLLRKNIMTITTSKGEFTGLGIHDRVCVIPTHAQPGDDVLVNGQKIRVKDKYKLVDPENINLELTVLTLDRNEKFRDIRGFISEDLEGVDATLVVHSNNFTNTILEVGPVTMAGLINLSSTPTNRMIRYDYATKTGQCGGVLCATGKIFGIHVGGNGRQGFSAQLKKQYFVEKQGQVIARHKVREFNINPVNTPTKSKLHPSVFYDVFPGDKEPAVLSDNDPRLEVKLTESLFSKYKGNVNTEPTENMLVAVDHYAGQLLSLDIPTSELTLKEALYGVDGLEPIDITTSAGFPYVSLGIKKRDILNKETQDTEKMKFYLDKYGIDLPLVTYIKDELRSVDKVRLGKSRLIEASSLNDSVNMRMKLGNLYKAFHQNPGVLTGSAVGCDPDVFWSVIPCLMDGHLMAFDYSNFDASLSPVWFVCLEKVLTKLGFAGSSLIQSICNTHHIFRDEIYVVEGGMPSGCSGTSIFNSMINNIIIRTLILDAYKGIDLDKLKILAYGDDLIVSYPYELDPQVLATLGKNYGLTITPPDKSETFTKMTWENLTFLKRYFKPDQQFPFLVHPVMPMKDIHESIRWTKDPKNTQDHVRSLCMLAWHSGEKEYNEFIQKIRTTDIGKCLILPEYSVLRRRWLDLF
  
Inhibitor
Name:
BDBM50462014
Synonyms:
CHEMBL4224853
Type:
Small organic molecule
Emp. Form.:
C17H10ClNO6
Mol. Mass.:
359.717
SMILES:
COc1ccc(OC2=C(Cl)C(=O)c3ccccc3C2=O)c(c1)[N+]([O-])=O |c:7|
Structure:
Search PDB for entries with ligand similarity: