Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50292205
Substrate
n/a
Meas. Tech.
ChEMBL_302401 (CHEMBL829646)
Ki
0.48±n/a nM
Citation
 Nantermet, PG; Burgey, CS; Robinson, KA; Pellicore, JM; Newton, CL; Deng, JZ; Selnick, HG; Lewis, SD; Lucas, BJ; Krueger, JA; Miller-Stein, C; White, RB; Wong, B; McMasters, DR; Wallace, AA; Lynch, JJ; Yan, Y; Chen, Z; Kuo, L; Gardell, SJ; Shafer, JA; Vacca, JP; Lyle, TA P2 pyridine N-oxide thrombin inhibitors: a novel peptidomimetic scaffold. Bioorg Med Chem Lett 15:2771-5 (2005) [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:
BDBM50292205
Synonyms:
CHEMBL195313 | N-[1-(2-Aminomethyl-5-chloro-phenyl)-2-hydroxy-ethyl]-2-[3-chloro-6-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-1-oxy-pyridin-2-yl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C23H23Cl2F2N5O3
Mol. Mass.:
526.363
SMILES:
NCc1ccc(Cl)cc1C(CO)NC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)[n+]1[O-]
Structure:
Search PDB for entries with ligand similarity: