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Target
Prothrombin
Ligand
BDBM50133037
Substrate
n/a
Meas. Tech.
ChEMBL_208120 (CHEMBL818151)
IC50
486±n/a nM
Citation
 Nilsson, JW; Kvarnström, I; Musil, D; Nilsson, I; Samulesson, B Synthesis and SAR of thrombin inhibitors incorporating a novel 4-amino-morpholinone sscaffold: analysis of X-ray crystal structure of enzyme inhibitor complex. J Med Chem 46:3985-4001 (2003) [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:
Human
Description:
P00734
Residue:
622
Sequence:
MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLERECVEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHVNITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQECSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASAQAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETGDGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE
  
Inhibitor
Name:
BDBM50133037
Synonyms:
CHEMBL422613 | N-(4-Carbamimidoyl-benzyl)-2-[4-(2,3-dihydro-benzofuran-5-sulfonylamino)-3-oxo-morpholin-2-yl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C22H25N5O6S
Mol. Mass.:
487.529
SMILES:
NC(=N)c1ccc(CNC(=O)CC2OCCN(NS(=O)(=O)c3ccc4OCCc4c3)C2=O)cc1
Structure:
Search PDB for entries with ligand similarity: