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Target
Prothrombin
Ligand
BDBM50076947
Substrate
n/a
Meas. Tech.
ChEMBL_208867 (CHEMBL808333)
IC50
1400±n/a nM
Citation
 Adang, AE; Peters, AM; Gerritsma, S; de Zwart, E; Veeneman, G Solution-phase and solid-phase synthesis of novel transition state inhibitors of coagulation enzymes incorporating a piperidinyl moiety. Bioorg Med Chem Lett 9:1227-32 (1999) [PubMed]  Article 
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:
BDBM50076947
Synonyms:
(S)-N-Benzyl-2-oxo-3-[2-(2-oxo-3-phenylmethanesulfonylamino-azepan-1-yl)-acetylamino]-4-piperidin-4-yl-butyramide | CHEMBL281130
Type:
Small organic molecule
Emp. Form.:
C31H41N5O6S
Mol. Mass.:
611.752
SMILES:
O=C(CN1CCCCC(NS(=O)(=O)Cc2ccccc2)C1=O)N[C@@H](CC1CCNCC1)C(=O)C(=O)NCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: