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Target
Prothrombin
Ligand
BDBM14058
Substrate
BDBM12598
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
pH
7.5000±n/a
Temperature
295.1500±n/a K
Ki
>4000±n/a nM
Citation
 Maignan, S; Guilloteau, JP; Pouzieux, S; Choi-Sledeski, YM; Becker, MR; Klein, SI; Ewing, WR; Pauls, HW; Spada, AP; Mikol, V Crystal structures of human factor Xa complexed with potent inhibitors. J Med Chem 43:3226-32 (2000) [PubMed]  Article 
Target
Name:
Prothrombin
Synonyms:
THRB_HUMAN | F2 | Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | Prothrombin precursor | Thrombin heavy chain | Thrombin light chain
Type:
Protein
Mol. Mass.:
70029.57
Organism:
Human
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM14058
Synonyms:
N-[(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide | N-[(3S)-1-[(1-aminoisoquinolin-7-yl)methyl]-2-oxo-pyrrolidin-3-yl]-7-thia-2-azabicyclo[4.3.0]nona-2,4,8,10-tetraene-8-sulfonamide | CHEMBL316053 | RPR208815
Type:
Small organic molecule
Emp. Form.:
C21H19N5O3S2
Mol. Mass.:
453.09
SMILES:
Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM12598
Synonyms:
(2S)-2-[(2S)-2-[(2R)-2-amino-2-cyclohexylacetamido]propanamido]-5-carbamimidamido-N-(4-nitrophenyl)pentanamide; bis(acetic acid) | H-D-CHG-Ala-Arg-pNA. 2AcOH | Chromogenic Substrate Pefachrome TH
Type:
Small organic molecule
Emp. Form.:
C23H36N8O5
Mol. Mass.:
504.28
SMILES:
C[C@H](NC(=O)[C@H](N)C1CCCCC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1)[N+]([O-])=O |r|
Structure:
Search PDB for entries with ligand similarity: