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Target
Prothrombin
Ligand
BDBM50085517
Substrate
n/a
Meas. Tech.
ChEBML_208921
Ki
3600±n/a nM
Citation
 Galemmo, RA; Wells, BL; Rossi, KA; Alexander, RS; Dominguez, C; Maduskuie, TP; Stouten, PF; Wright, MR; Aungst, BJ; Wong, PC; Knabb, RM; Wexler, RR The de novo design and synthesis of cyclic urea inhibitors of factor Xa: optimization of the S4 ligand. Bioorg Med Chem Lett 10:301-4 (2000) [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:
BDBM50085517
Synonyms:
CHEMBL556200 | Cyclic urea 2,4-diazepin-3-one analogue
Type:
Small organic molecule
Emp. Form.:
C25H34N5O
Mol. Mass.:
420.5698
SMILES:
NC(=[NH2+])c1cccc(c1)N1CCCCN(C2CCN(CCc3ccccc3)CC2)C1=O
Structure:
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