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Target
Prothrombin
Ligand
BDBM50110746
Substrate
n/a
Meas. Tech.
ChEMBL_225585 (CHEMBL847601)
Ki
1600±n/a nM
Citation
 Liebeschuetz, JW; Jones, SD; Morgan, PJ; Murray, CW; Rimmer, AD; Roscoe, JM; Waszkowycz, B; Welsh, PM; Wylie, WA; Young, SC; Martin, H; Mahler, J; Brady, L; Wilkinson, K PRO_SELECT: combining structure-based drug design and array-based chemistry for rapid lead discovery. 2. The development of a series of highly potent and selective factor Xa inhibitors. J Med Chem 45:1221-32 (2002) [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:
BDBM50110746
Synonyms:
3-Carbamimidoyl-N-{2-[4-(4-chloro-phenyl)-piperazin-1-yl]-2-oxo-1-phenyl-ethyl}-benzamide | CHEMBL20672
Type:
Small organic molecule
Emp. Form.:
C26H26ClN5O2
Mol. Mass.:
475.97
SMILES:
NC(=N)c1cccc(c1)C(=O)N[C@@H](C(=O)N1CCN(CC1)c1ccc(Cl)cc1)c1ccccc1
Structure:
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