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Target
Prothrombin
Ligand
BDBM50068507
Substrate
n/a
Meas. Tech.
ChEMBL_208547 (CHEMBL814316)
Ki
>100000±n/a nM
Citation
 Kucznierz, R; Grams, F; Leinert, H; Marzenell, K; Engh, RA; von der Saal, W Tetrahydro-isoquinoline-based factor Xa inhibitors. J Med Chem 41:4983-94 (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:
BDBM50068507
Synonyms:
(S)-3-{4-[(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-ethoxycarbonyl-methyl]-phenoxy}-pyrrolidine-1-carboxylic acid allyl ester | CHEMBL144637
Type:
Small organic molecule
Emp. Form.:
C28H34N4O6
Mol. Mass.:
522.5928
SMILES:
CCOC(=O)C(Oc1ccc2CCN(Cc2c1)C(N)=N)c1ccc(O[C@H]2CCN(C2)C(=O)OCC=C)cc1
Structure:
Search PDB for entries with ligand similarity: