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Target
Transmembrane protease serine 2
Ligand
BDBM513873
Substrate
n/a
Meas. Tech.
Cellular Antiviral Activity
EC50
12500±n/a nM
Citation
 Unoh, Y; Uehara, S; Nakahara, K; Nobori, H; Yamatsu, Y; Yamamoto, S; Maruyama, Y; Taoda, Y; Kasamatsu, K; Suto, T; Kouki, K; Nakahashi, A; Kawashima, S; Sanaki, T; Toba, S; Uemura, K; Mizutare, T; Ando, S; Sasaki, M; Orba, Y; Sawa, H; Sato, A; Sato, T; Kato, T; Tachibana, Y Discovery of S-217622, a Non-Covalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19 bioRxiv 2022:0 (2022)   
Target
Name:
Transmembrane protease serine 2
Synonyms:
PRSS10 | Serine protease 10 | TMPRSS2 | TMPS2_HUMAN | Transmembrane protease serine 2 catalytic chain | Transmembrane protease serine 2 non-catalytic chain
Type:
PROTEIN
Mol. Mass.:
53867.70
Organism:
Homo sapiens (Human)
Description:
ChEMBL_760112
Residue:
492
Sequence:
MALNSGSPPAIGPYYENHGYQPENPYPAQPTVVPTVYEVHPAQYYPSPVPQYAPRVLTQASNPVVCTQPKSPSGTVCTSKTKKALCITLTLGTFLVGAALAAGLLWKFMGSKCSNSGIECDSSGTCINPSNWCDGVSHCPGGEDENRCVRLYGPNFILQVYSSQRKSWHPVCQDDWNENYGRAACRDMGYKNNFYSSQGIVDDSGSTSFMKLNTSAGNVDIYKKLYHSDACSSKAVVSLRCIACGVNLNSSRQSRIVGGESALPGAWPWQVSLHVQNVHVCGGSIITPEWIVTAAHCVEKPLNNPWHWTAFAGILRQSFMFYGAGYQVEKVISHPNYDSKTKNNDIALMKLQKPLTFNDLVKPVCLPNPGMMLQPEQLCWISGWGATEEKGKTSEVLNAAKVLLIETQRCNSRYVYDNLITPAMICAGFLQGNVDSCQGDSGGPLVTSKNNIWWLIGDTSWGSGCAKAYRPGVYGNVMVFTDWIYRQMRADG
  
Inhibitor
Name:
BDBM513873
Synonyms:
bioRxiv20220126.477782, Screening Hit 2
Type:
Small organic molecule
Emp. Form.:
C21H17ClF3N7O3
Mol. Mass.:
507.853
SMILES:
CNC(=O)Cn1c(=O)[nH]\c(=N/c2cc3cn(C)nc3cc2Cl)n(Cc2cc(F)c(F)c(F)c2)c1=O
Structure:
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