Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM12592
Substrate
BDBM12598
Meas. Tech.
Enzyme Assay and Determination of the Inhibition Constants.
pH
7.5±n/a
Temperature
295.15±n/a K
Ki
>4000±n/a nM
Citation
 Maignan, S; Guilloteau, JP; Choi-Sledeski, YM; Becker, MR; Ewing, WR; Pauls, HW; Spada, AP; Mikol, V Molecular structures of human factor Xa complexed with ketopiperazine inhibitors: preference for a neutral group in the S1 pocket. J Med Chem 46:685-90 (2003) [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:
BDBM12592
Synonyms:
3-({4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-2-OXOPIPERAZIN-1-YL}METHYL)BENZENECARBOXIMIDAMIDE | 3-({4-[(6-chloro-1-benzothiophene-2-)sulfonyl]-2-oxopiperazin-1-yl}methyl)benzene-1-carboximidamide | Ketopiperazine | RPR132747
Type:
Small organic molecule
Emp. Form.:
C20H19ClN4O3S2
Mol. Mass.:
462.973
SMILES:
NC(=N)c1cccc(CN2CCN(CC2=O)S(=O)(=O)c2cc3ccc(Cl)cc3s2)c1
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) | Chromogenic Substrate Pefachrome TH | H-D-CHG-Ala-Arg-pNA. 2AcOH
Type:
Small organic molecule
Emp. Form.:
C23H36N8O5
Mol. Mass.:
504.5825
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: