Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM33622
Substrate
Boc-Val-Pro-Arg-AMC
Meas. Tech.
Thrombin 1536 HTS Dose Response Confirmation
pH
7.5±n/a
Temperature
296.15±n/a K
IC50
>50000±n/a nM
Citation
 PubChem, PC Thrombin 1536 HTS Dose Response Confirmation PubChem Bioassay (2008)[AID] 
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:
BDBM33622
Synonyms:
2-[(5Z)-4-keto-5-(2-keto-1-methyl-indolin-3-ylidene)-2-thioxo-thiazolidin-3-yl]glutaric acid | 2-[(5Z)-5-(1-methyl-2-oxidanylidene-indol-3-ylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid | 2-[(5Z)-5-(1-methyl-2-oxo-3-indolylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid | 2-[(5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid | MLS000105064 | SMR000054993 | cid_2769925
Type:
Small organic molecule
Emp. Form.:
C17H14N2O6S2
Mol. Mass.:
406.433
SMILES:
CN1C(=O)\C(=C2/SC(=S)N(C(CCC(O)=O)C(O)=O)C2=O)c2ccccc12
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Boc-Val-Pro-Arg-AMC
Synonyms:
n/a
Type:
fluorogenic substrate
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA