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Target
Prothrombin
Ligand
BDBM50210428
Substrate
n/a
Meas. Tech.
ChEMBL_455389 (CHEMBL886164)
IC50
11±n/a nM
Citation
 Hanessian, S; Ersmark, K; Wang, X; Del Valle, JR; Blomberg, N; Xue, Y; Fjellström, O Structure-based organic synthesis of unnatural aeruginosin hybrids as potent inhibitors of thrombin. Bioorg Med Chem Lett 17:3480-5 (2007) [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:
BDBM50210428
Synonyms:
(2S,3aR,5S,6S,7aS)-1-{(S)-3-chloro-2-[(S)-3-hydroxy-2-((R)-methoxy)-propionylamino]-4-methyl-pentanoyl}-5,6-dihydroxy-octahydro-indole-2-carboxylic acid [2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)-ethyl]-amide | CHEMBL394402
Type:
Small organic molecule
Emp. Form.:
C26H43ClN6O7
Mol. Mass.:
587.109
SMILES:
CO[C@H](CO)C(=O)N[C@H]([C@@H](Cl)C(C)C)C(=O)N1[C@H]2C[C@H](O)[C@@H](O)C[C@H]2C[C@H]1C(=O)NCCC1=CCN(C1)C(N)=N |t:34|
Structure:
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