Target
Prothrombin
Ligand
BDBM50031706
Substrate
n/a
Meas. Tech.
TMPRSS2 pericellular activity screening assay
Ki
621±46 nM
Citation
 Shapira, TMonreal, IADion, SPBuchholz, DWImbiakha, BOlmstead, ADJager, MDésilets, AGao, GMartins, MVandal, TThompson, CAHChin, ARees, WDSteiner, TNabi, IRMarsault, ESahler, JDiel, DGVan de Walle, GRAugust, AWhittaker, GRBoudreault, PLLeduc, RAguilar, HCJean, F A TMPRSS2 inhibitor acts as a pan-SARS-CoV-2 prophylactic and therapeutic. Nature 0:0 (2022) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin precursor | THRB_HUMAN | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Homo sapiens (Human)
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50031706
Synonyms:
4-Guanidino-benzoic acid 4-dimethylcarbamoylmethoxycarbonylmethyl-phenyl ester; compound with methanesulfonic acid | CHEMBL85164 | Camostat | med.21724, Compound 18
Type:
Small organic molecule
Emp. Form.:
C20H22N4O5
Mol. Mass.:
398.4125
SMILES:
[#6]-[#7](-[#6])-[#6](=O)-[#6]-[#8]-[#6](=O)-[#6]-c1ccc(-[#8]-[#6](=O)-c2ccc(cc2)\[#7]=[#6](/[#7])-[#7])cc1
Structure:
Search PDB for entries with ligand similarity: