Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM33719
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
39.27±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:
BDBM33719
Synonyms:
2-[[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]acetic acid [2-(4-bromophenyl)-2-oxoethyl] ester | 2-[[2-keto-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]ethyl]thio]acetic acid [2-(4-bromophenyl)-2-keto-ethyl] ester | MLS000563922 | SMR000176980 | [(6-Methyl-benzothiazol-2-ylcarbamoyl)-methylsulfanyl]-acetic acid 2-(4-bromo-phenyl)-2-oxo-ethyl ester | [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate | [2-(4-bromophenyl)-2-oxoethyl] 2-[2-[(6-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate | cid_3132120
Type:
Small organic molecule
Emp. Form.:
C20H17BrN2O4S2
Mol. Mass.:
493.394
SMILES:
Cc1ccc2nc(NC(=O)CSCC(=O)OCC(=O)c3ccc(Br)cc3)sc2c1
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