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Target
Prothrombin
Ligand
BDBM50110745
Substrate
n/a
Meas. Tech.
ChEMBL_225585 (CHEMBL847601)
Ki
>2000±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:
BDBM50110745
Synonyms:
3-(6-Carbamimidoyl-naphthalen-2-yl)-2-{4-[1-(1-imino-ethyl)-pyrrolidin-3-yloxy]-phenyl}-propionic acid | CHEMBL20506
Type:
Small organic molecule
Emp. Form.:
C26H28N4O3
Mol. Mass.:
444.5255
SMILES:
CC(=N)N1CCC(C1)Oc1ccc(cc1)[C@@H](Cc1ccc2cc(ccc2c1)C(N)=N)C(O)=O
Structure:
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