| Reaction Details |
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 | Report a problem with these data |
| Target | Spike glycoprotein |
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| Ligand | BDBM540826 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Inhibitory Assay |
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| IC50 | 136700±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 |
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| Synonyms: | E2 | Peplomer protein | S | S glycoprotein | SPIKE_SARS2 |
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| Type: | Protein |
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| Mol. Mass.: | 141178.35 |
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| Organism: | 2019-nCoV |
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| Description: | P0DTC2 |
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| Residue: | 1273 |
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| 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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| BDBM540826 |
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| n/a |
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| Name | BDBM540826 |
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| Synonyms: | (1-(4- Methoxyphenyl)- 1H-1,2,3- triazol-4-yl)methyl- (2alpha,3beta)-2,3- bis((1-(4- methoxyphenyl)- 1H- l,2,3-triazol-4- yl)methoxy)-olean- 12-en-28-oate | US11266632, Compound 14 |
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| Type | Small organic molecule |
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| Emp. Form. | C60H75N9O7 |
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| Mol. Mass. | 1034.2936 |
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| SMILES | COc1ccc(cc1)-n1cc(CO[C@@H]2C[C@@]3(C)C(CC[C@]4(C)C3CC=C3C5CC(C)(C)CC[C@@]5(CC[C@@]43C)C(=O)OCc3cn(nn3)-c3ccc(OC)cc3)C(C)(C)[C@H]2OCc2cn(nn2)-c2ccc(OC)cc2)nn1 |r,t:26| |
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| Structure | 
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