Reaction Details |
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Target | Spike glycoprotein |
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Ligand | BDBM540820 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibitory Assay |
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IC50 | 131900±n/a nM |
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Citation | Soltane, R; Alhadrami, HA; Alasiri, A; Jannet, HB; Chouaib, K; Chrouda, A; Mostafa, A; Pashameah, RA Maslinic and oleanolic acids derivatives for treating SARS-CoV-2 infection US Patent US11266632 Publication Date 3/8/2022 |
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More Info.: | Get all data from this article, Assay Method |
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Spike glycoprotein |
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Name: | Spike glycoprotein |
Synonyms: | E2 | Peplomer protein | S | S glycoprotein | SPIKE_SARS2 |
Type: | Protein |
Mol. Mass.: | 141178.35 |
Organism: | 2019-nCoV |
Description: | P0DTC2 |
Residue: | 1273 |
Sequence: | MFVFLVLLPLVSSQCVNLTTRTQLPPAYTNSFTRGVYYPDKVFRSSVLHSTQDLFLPFFS
NVTWFHAIHVSGTNGTKRFDNPVLPFNDGVYFASTEKSNIIRGWIFGTTLDSKTQSLLIV
NNATNVVIKVCEFQFCNDPFLGVYYHKNNKSWMESEFRVYSSANNCTFEYVSQPFLMDLE
GKQGNFKNLREFVFKNIDGYFKIYSKHTPINLVRDLPQGFSALEPLVDLPIGINITRFQT
LLALHRSYLTPGDSSSGWTAGAAAYYVGYLQPRTFLLKYNENGTITDAVDCALDPLSETK
CTLKSFTVEKGIYQTSNFRVQPTESIVRFPNITNLCPFGEVFNATRFASVYAWNRKRISN
CVADYSVLYNSASFSTFKCYGVSPTKLNDLCFTNVYADSFVIRGDEVRQIAPGQTGKIAD
YNYKLPDDFTGCVIAWNSNNLDSKVGGNYNYLYRLFRKSNLKPFERDISTEIYQAGSTPC
NGVEGFNCYFPLQSYGFQPTNGVGYQPYRVVVLSFELLHAPATVCGPKKSTNLVKNKCVN
FNFNGLTGTGVLTESNKKFLPFQQFGRDIADTTDAVRDPQTLEILDITPCSFGGVSVITP
GTNTSNQVAVLYQDVNCTEVPVAIHADQLTPTWRVYSTGSNVFQTRAGCLIGAEHVNNSY
ECDIPIGAGICASYQTQTNSPRRARSVASQSIIAYTMSLGAENSVAYSNNSIAIPTNFTI
SVTTEILPVSMTKTSVDCTMYICGDSTECSNLLLQYGSFCTQLNRALTGIAVEQDKNTQE
VFAQVKQIYKTPPIKDFGGFNFSQILPDPSKPSKRSFIEDLLFNKVTLADAGFIKQYGDC
LGDIAARDLICAQKFNGLTVLPPLLTDEMIAQYTSALLAGTITSGWTFGAGAALQIPFAM
QMAYRFNGIGVTQNVLYENQKLIANQFNSAIGKIQDSLSSTASALGKLQDVVNQNAQALN
TLVKQLSSNFGAISSVLNDILSRLDKVEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRA
SANLAATKMSECVLGQSKRVDFCGKGYHLMSFPQSAPHGVVFLHVTYVPAQEKNFTTAPA
ICHDGKAHFPREGVFVSNGTHWFVTQRNFYEPQIITTDNTFVSGNCDVVIGIVNNTVYDP
LQPELDSFKEELDKYFKNHTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDL
QELGKYEQYIKWPWYIWLGFIAGLIAIVMVTIMLCCMTSCCSCLKGCCSCGSCCKFDEDD
SEPVLKGVKLHYT
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BDBM540820 |
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n/a |
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Name | BDBM540820 |
Synonyms: | (1-(3- methylphenyl)-1H- 1,2,3-triazol- 5-yl)methyl- (2alpha,3beta)-2,3- dihydroxyolean- 12-en-28-oate | US11266632, Compound 9 |
Type | Small organic molecule |
Emp. Form. | C39H55N3O4 |
Mol. Mass. | 629.8717 |
SMILES | CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)OCc1cnnn1-c1ccccc1 |r,c:10| |
Structure |
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