Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50289342
Substrate
n/a
Meas. Tech.
ChEMBL_208538 (CHEMBL813632)
Ki
650±n/a nM
Citation
 Dominguez, C; Carini, D; Weber, P; Knabb, R; Alexander, R; Kettner, C; Wexler, R S1 heterocyclic thrombin inhibitors Bioorg Med Chem Lett 7:79-84 (1997)    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:
BDBM50289342
Synonyms:
(S)-1-((R)-2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid [(R)-4-(2-nitro-imidazol-1-yl)-1-((2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-butyl]-amide
Type:
Small organic molecule
Emp. Form.:
C33H45BN6O7
Mol. Mass.:
648.557
SMILES:
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1C(=O)N[C@@H](CCCn1ccnc1[N+]([O-])=O)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1 |TLB:45:44:41:39,46:44:41:39,THB:35:36:41:39|
Structure:
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