| Reaction Details |
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 | Report a problem with these data |
| Target | Spike glycoprotein |
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| Ligand | BDBM50596580 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2220714 (CHEMBL5134048) |
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| Kd | 91700±n/a nM |
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| Citation |  Hou, B; Zhang, YM; Liao, HY; Fu, LF; Li, DD; Zhao, X; Qi, JX; Yang, W; Xiao, GF; Yang, L; Zuo, ZY; Wang, L; Zhang, XL; Bai, F; Yang, L; Gao, GF; Song, H; Hu, JM; Shang, WJ; Zhou, J Target-Based Virtual Screening and LC/MS-Guided Isolation Procedure for Identifying Phloroglucinol-Terpenoid Inhibitors of SARS-CoV-2. J Nat Prod85:327-336 (2022) [PubMed] Article |
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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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| BDBM50596580 |
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| n/a |
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| Name | BDBM50596580 |
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| Synonyms: | CHEMBL5173280 |
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| Type | Small organic molecule |
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| Emp. Form. | C42H56O10 |
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| Mol. Mass. | 720.888 |
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| SMILES | [H][C@]12CCC(=C)[C@@H](C\C=C(/C)[C@@H]3CCc4c(O)c(CC5C(O)C(C)(C)C(O)=C(C(C)=O)C5=O)c(O)c(C(=O)CCC)c4O3)[C@]1(C)CCC[C@]2(C)C(O)=O |r,t:26| |
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| Structure | 
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