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Target
Prothrombin
Ligand
BDBM50077046
Substrate
n/a
Meas. Tech.
ChEBML_208529
Ki
182±n/a nM
Citation
 Ambler, J; Brown, L; Cockcroft, XL; Grütter, M; Hayler, J; Janus, D; Jones, D; Kane, P; Menear, K; Priestle, J; Smith, G; Talbot, M; Walker, CV; Wathey, B Optimisation of the P2 pharmacophore in a series of thrombin inhibitors: ion-dipole interactions with lysine 60G. Bioorg Med Chem Lett 9:1317-22 (1999) [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:
BDBM50077046
Synonyms:
3,3-Dimethyl-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid ((S)-1-benzothiazol-2-ylmethyl-2-{4-[2-(3-butyl-ureido)-ethyl]-piperidin-1-yl}-2-oxo-ethyl)-amide | CHEMBL28103
Type:
Small organic molecule
Emp. Form.:
C33H46N6O4S2
Mol. Mass.:
654.886
SMILES:
CCCCNC(=O)NCCC1CCN(CC1)C(=O)[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1cccc2CC(C)(C)CNc12
Structure:
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