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Target
Prothrombin
Ligand
BDBM50090236
Substrate
n/a
Meas. Tech.
ChEBML_208894
Ki
452±n/a nM
Citation
 Baettig, U; Brown, L; Brundish, D; Dell, C; Furzer, A; Garman, S; Janus, D; Kane, PD; Smith, G; Walker, CV; Cockcroft, X; Ambler, J; Mitchelson, A; Talbot, MD; Tweed, M; Wills, N The design and synthesis of thrombin inhibitors: analogues of MD805 containing non-polar surrogates for arginine at the P1 position. Bioorg Med Chem Lett 10:1563-6 (2000) [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:
BDBM50090236
Synonyms:
CHEMBL418248 | MD805 Analogue
Type:
Small organic molecule
Emp. Form.:
C30H39N5O5S
Mol. Mass.:
581.726
SMILES:
CC(=O)OCCC1CCN(CC1)C(=O)C(Cc1nc2ccccc2[nH]1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12
Structure:
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