Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM33553
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
157.67±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:
BDBM33553
Synonyms:
1-ethyl-4-keto-6-morpholinosulfonyl-N-piperonyl-quinoline-3-carboxamide | MLS000095126 | N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-(4-morpholinylsulfonyl)-4-oxo-3-quinolinecarboxamide | N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-(morpholin-4-ylsulfonyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide | N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxidanylidene-quinoline-3-carboxamide | N-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-6-morpholin-4-ylsulfonyl-4-oxoquinoline-3-carboxamide | SMR000030680 | cid_3238889
Type:
Small organic molecule
Emp. Form.:
C24H25N3O7S
Mol. Mass.:
499.536
SMILES:
CCn1cc(C(=O)NCc2ccc3OCOc3c2)c(=O)c2cc(ccc12)S(=O)(=O)N1CCOCC1
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