Reaction Details Report a problem with these data
Target
Prothrombin
Ligand
BDBM50288414
Substrate
n/a
Meas. Tech.
ChEBML_225479
Ki
200±n/a nM
Citation
 Galemmo, RA; Fevig, JM; Carini, DJ; Cacciola, J; Wells, BL; Hillyer, GL; Jr., JB; Rossi, KA; Stouten, PF; Alexander, RS; Hilmer, R; Bostrom, L; Abelman, MM; Lee, SL; Weber, PC; Kettner, CA; Knabb, RM; Wexler, RR (N-acyl-N-alkyl)glycyl borolysine analogs: A new class of potent thrombin inhibitors Bioorg Med Chem Lett 6:2913-2918 (1996)    Article 
Target
Name:
Prothrombin
Synonyms:
Activation peptide fragment 1 | Activation peptide fragment 2 | Coagulation factor II | F2 | Prothrombin | THRB_BOVIN | Thrombin | Thrombin heavy chain | Thrombin light chain
Type:
Enzyme
Mol. Mass.:
70502.73
Organism:
Bos taurus (Bovine)
Description:
P00735
Residue:
625
Sequence:
MARVRGPRLPGCLALAALFSLVHSQHVFLAHQQASSLLQRARRANKGFLEEVRKGNLERECLEEPCSREEAFEALESLSATDAFWAKYTACESARNPREKLNECLEGNCAEGVGMNYRGNVSVTRSGIECQLWRSRYPHKPEINSTTHPGADLRENFCRNPDGSITGPWCYTTSPTLRREECSVPVCGQDRVTVEVIPRSGGSTTSQSPLLETCVPDRGREYRGRLAVTTSGSRCLAWSSEQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDLGDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGRIVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS
  
Inhibitor
Name:
BDBM50288414
Synonyms:
1-(2-Acetylamino-3-phenyl-propionyl)-pyrrolidine-2-carboxylic acid (5-amino-1-dihydroxyboranyl-pentyl)-amide | AC-(D)PHE-PRO-BOROLYS-OH | CHEMBL100109
Type:
Small organic molecule
Emp. Form.:
C21H33BN4O5
Mol. Mass.:
432.322
SMILES:
CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O
Structure:
Search PDB for entries with ligand similarity: