Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50113785
Substrate
n/a
Meas. Tech.
ChEMBL_208531 (CHEMBL813625)
Ki
0.96±n/a nM
Citation
 Danilewicz, JC; Abel, SM; Brown, AD; Fish, PV; Hawkeswood, E; Holland, SJ; James, K; McElroy, AB; Overington, J; Powling, MJ; Rance, DJ Design of selective thrombin inhibitors based on the (R)-Phe-Pro-Arg sequence. J Med Chem 45:2432-53 (2002) [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:
BDBM50113785
Synonyms:
CHEMBL309670 | RS-(2-{2-[2-(1-Carbamimidoyl-piperidin-4-yloxy)-ethyl]-piperidin-1-yl}-1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
Type:
Small organic molecule
Emp. Form.:
C24H43N5O4
Mol. Mass.:
465.6293
SMILES:
NC(=N)N1CCC(CC1)OCCC1CCCCN1C(=O)[C@@H](CC1CCCCC1)NCC(O)=O
Structure:
Search PDB for entries with ligand similarity: