Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM33581
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
258.57±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:
BDBM33581
Synonyms:
1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethanone | 1-(5-azanyl-3-pyridin-3-yl-1,2,4-triazol-1-yl)-2-(4-methoxyphenyl)ethanone | 1-[(4-methoxyphenyl)acetyl]-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine | 1-[5-amino-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone | 1-[5-amino-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethanone | MLS000064365 | SMR000076607 | cid_970094
Type:
Small organic molecule
Emp. Form.:
C16H15N5O2
Mol. Mass.:
309.3226
SMILES:
COc1ccc(CC(=O)n2nc(nc2N)-c2cccnc2)cc1
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