Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50071416
Substrate
n/a
Meas. Tech.
ChEBML_208351
Ki
>5000±n/a nM
Citation
Buckman, BO; Mohan, R; Koovakkat, S; Liang, A; Trinh, L; Morrissey, MM Design, synthesis, and biological activity of novel purine and bicyclic pyrimidine factor Xa inhibitors. Bioorg Med Chem Lett 8:2235-40 (1999) [PubMed] Article
More Info.:
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:
BDBM50071416
Synonyms:
3-[2-(5-Carbamimidoyl-2-hydroxy-phenoxy)-6-oxo-6,7-dihydro-5H-pyrimido[4,5-b][1,4]oxazin-4-yloxy]-N,N-dimethyl-benzamide | CHEMBL71975
Type:
Small organic molecule
Emp. Form.:
C22H20N6O6
Mol. Mass.:
464.4308
SMILES:
CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(ccc3O)C(N)=N)nc3OCC(=O)Nc23)c1