Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM33650
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
132.88±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:
BDBM33650
Synonyms:
1-[3-(2-furanyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]-3-phenyl-1-propanone | 1-[3-(furan-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one | 1-[5-(benzylthio)-3-(2-furyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one | 1-[5-benzylsulfanyl-3-(furan-2-yl)-1,2,4-triazol-1-yl]-3-phenylpropan-1-one | MLS000522281 | SMR000127549 | cid_3586645
Type:
Small organic molecule
Emp. Form.:
C22H19N3O2S
Mol. Mass.:
389.47
SMILES:
O=C(CCc1ccccc1)n1nc(nc1SCc1ccccc1)-c1ccco1
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