| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Spike glycoprotein |
|---|
| Ligand | BDBM50582098 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2153278 (CHEMBL5037825) |
|---|
| Kd | 3260±n/a nM |
|---|
| Citation |  Di Sarno, V; Lauro, G; Musella, S; Ciaglia, T; Vestuto, V; Sala, M; Scala, MC; Smaldone, G; Di Matteo, F; Novi, S; Tecce, MF; Moltedo, O; Bifulco, G; Campiglia, P; Gomez-Monterrey, IM; Snoeck, R; Andrei, G; Ostacolo, C; Bertamino, A Identification of a dual acting SARS-CoV-2 proteases inhibitor through in silico design and step-by-step biological characterization. Eur J Med Chem226:0 (2021) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Spike glycoprotein |
|---|
| 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
|
|
|
|---|
| BDBM50582098 |
|---|
| n/a |
|---|
| Name | BDBM50582098 |
|---|
| Synonyms: | CHEMBL5080077 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C36H38N2O2 |
|---|
| Mol. Mass. | 530.6991 |
|---|
| SMILES | COC(=O)c1ccc2n(CC(C)C)cc(CN(CCc3ccc(cc3)-c3ccccc3)Cc3ccccc3)c2c1 |
|---|
| Structure | 
|
|---|
Search and Browse
