Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50182196
Substrate
n/a
Meas. Tech.
ChEMBL_354267 (CHEMBL870018)
IC50
1.7±n/a nM
Citation
 Lange, UE; Baucke, D; Hornberger, W; Mack, H; Seitz, W; Höffken, HW Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety. Bioorg Med Chem Lett 16:2648-53 (2006) [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:
BDBM50182196
Synonyms:
((R)-2-{(S)-5-[(6-carbamimidoyl-pyridin-3-ylmethyl)-carbamoyl]-4,5-dihydro-3H-pyrazol-1-yl}-1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid | CHEMBL377972
Type:
Small organic molecule
Emp. Form.:
C22H32N7O4
Mol. Mass.:
458.5334
SMILES:
NC(=N)c1ccc(CNC(=O)C2=[N+](NCC2)C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)cn1 |t:11|
Structure:
Search PDB for entries with ligand similarity: