Target
Prothrombin
Ligand
BDBM50182187
Substrate
n/a
Meas. Tech.
ChEMBL_354267 (CHEMBL870018)
IC50
44.2±n/a nM
Citation
 Lange, UEBaucke, DHornberger, WMack, HSeitz, WHöffken, 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:
BDBM50182187
Synonyms:
((R)-2-{(S)-2-[(6-carbamimidoyl-pyridin-3-ylmethyl)-carbamoyl]-4,4-dimethyl-pyrrolidin-1-yl}-1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid | CHEMBL205766
Type:
Small organic molecule
Emp. Form.:
C25H38N6O4
Mol. Mass.:
486.607
SMILES:
CC1(C)C[C@H](N(C1)C(=O)[C@@H](CC1CCCCC1)NCC(O)=O)C(=O)NCc1ccc(nc1)C(N)=N
Structure:
Search PDB for entries with ligand similarity: