Target
Genome polyprotein
Ligand
BDBM521550
Substrate
n/a
Meas. Tech.
Rhinovirus antiviral assay (HRV1B)
EC50
1300±n/a nM
Citation
 Beigelman, LDeval, JPrhavc, M Substituted nucleosides, nucleotides and analogs thereof US Patent  US11149049 Publication Date 10/19/2021 
Target
Name:
Genome polyprotein
Synonyms:
POLG_HRV1B
Type:
Protein
Mol. Mass.:
242338.35
Organism:
HRV-1B
Description:
P12916
Residue:
2157
Sequence:
MGAQVSRQNVGTHSTQNSVSNGSSLNYFNINYFKDAASSGASRLDFSQDPSKFTDPVKDVLEKGIPTLQSPSVEACGYSDRIIQITRGDSTITSQDVANAVVGYGVWPHYLTPQDATAIDKPTQPDTSSNRFYTLESKHWNGDSKGWWWKLPDALKEMGIFGENMYYHFLGRSGYTVHVQCNASKFHQGTLLVAMIPEHQLASAKNGSVTAGYNLTHPGEAGRVVGQQRDANLRQPSDDSWLNFDGTLLGNLLIFPHQFINLRSNNSATLIVPYVNAVPMDSMLRHNNWSLVIIPISPLRSETTSSNIRPITVSISPMCAEFSGARAKNVRQGLPVYITPGSGQFMTTDDMQSPCALPWYHPTKEISIPGEVKNLIEMCQVDTLIPVNNVGTNVGNISMYTVQLGNQMDMAQEVFAIKVDITSQPLATTLIGEIASYYTHWTGSLRFSFMFCGTANTTLKLLLAYTPPGIDKPATRKDAMLGTHVVWDVGLQSTISLVVPWVSASHFRLTANDKYSMAGYITCWYQTNLVVPPNTPQTADMLCFVSACKDFCLRMARDTDLHIQSGPIEQNPVENYIDEVLNEVLVVPNIKESHHTTSNSAPLLDAAETGHTSNVQPEDAIETRYVMTSQTRDEMSIESFLGRSGCVHISRIKVDYNDYNGVNKNFTTWKITLQEMAQIRRKFELFTYVRFDSEVTLVPCIAGRGDDIGHVVMQYMYVPPGAPIPKTRNDFSWQSGTNMSIFWQHGQPFPRFSLPFLSIASAYYMFYDGYDGDNSSSKYGSIVTNDMGTICSRIVTEKQEHPVVITTHIYHKAKHTKAWCPRPPRAVPYTHSRVTNYVPKTGDVTTAIVPRASMKTVGPSDLYVHVGNLIYRNLHLFNSEMHDSILVSYSSDLIIYRTNTTGDDYIPSCNCTEATYYCKHKNRYYPIKVTPHDWYEIQESEYYPKHIQYNLLIGEGPCEPGDCGGKLLCRHGVIGIITAGGEGHVAFTDLRQFQCAEEQGITDYIHMLGEAFGNGFVDSVKEQINAINPINSISKKVIKWLLRIISAMVIIIRNSSDPQTIIATLTLIGCNGSPWRFLKEKFCKWTQLTYIHKESDSWLKKFTEMCNAARGLEWIGNKISKFIDWMKSMLPQAQLKVKYLNEIKKLSLLEKQIENLRAADNATQEKIKCEIDTLHDLSCKFLPLYAHEAKRIKVLYNKCSNIIKQRKRSEPVAVMIHGPPGTGKSITTNFLARMITNESDVYSLPPDPKYFDGYDNQSVVIMDDIMQNPDGEDMTLFCQMVSSVTFIPPMADLPDKGKPFDSRFVLCSTNHSLLAPPTISSLPAMNRRFFFDLDIVVHDNYKDAQGKLNVSKAFQPCNVNTKIGNAKCCPFVCGKAVSFKDRSTCSTYTLAQVYNHILEEDKRRRQVVDVMSAIFQGPISLDAPPPPAIADLLQSVRTPEVIKYCQDNKWIVPAECQIERDLSIANSIITIIANIISIAGIIFVIYKLFCTLQGPYSGEPKPKTKMPERRVVAQGPEEEFGRSILKNNTCVITTDNGKFTGLGIYDRTLIIPTHADPGREVQVNGIHTKVLDSYDLYNRDGVKLEITVIQLDRNEKFRDIRKYIPETEDDYPECNLALSANQVEPTIIKVGDVVSYGNILLSGNQTARMLKYNYPTKSGYCGGVLYKIGQILGIHVGGNGRDGFSAMLLRSYFTDTQGQIKISKHANECGLPTIHTPSKTKLQPSVFYDVFPGSKEPAVSRDNDPRLKVNFKEALFSKYKGNTECSLNQHMEIAIAHYSAQLITLDIDSKPIALEDSVFGIEGLEALDLNTSAGFPYVTMGIKKRDLINNKTKDISRLKEALDKYGVDLPMITFLKDELRKKEKISAGKTRVIEASSINDTILFRTTFGNLFSKFHLNPGVVTGSAVGCDPETFWSKIPVMLDGDCIMAFDYTNYDGSIHPVWFQALKKVLENLSFQSNLIDRLCYSKHLFKSTYYEVAGGVPSGCSGTSIFNTMINNIIIRTLVLDAYKNIDLDKLKIIAYGDDVIFSYKYTLDMEAIANEGKKYGLTITPADKSTEFKKLDYNNVTFLKRGFKQDEKHTFLIHPTFPVEEIYESIRWTKKPSQMQEHVLSLCHLMWHNGRKVYEDFSSKIRSVSAGRALYIPPYDLLKHEWYEKF
  
Inhibitor
Name:
BDBM521550
Synonyms:
Neopentyl ((((2S,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-2-fluoro-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)-L-alaninate | US11149049, No. 8
Type:
Small organic molecule
Emp. Form.:
C26H32FN6O8P
Mol. Mass.:
606.5398
SMILES:
C[C@H](NP(=O)(OC[C@@]1(F)O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)Oc1ccccc1)C(=O)OCC(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity: