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Target
Prothrombin
Ligand
BDBM50063565
Substrate
n/a
Meas. Tech.
ChEMBL_208871 (CHEMBL808337)
IC50
100±n/a nM
Citation
 Lumma, WC; Witherup, KM; Tucker, TJ; Brady, SF; Sisko, JT; Naylor-Olsen, AM; Lewis, SD; Lucas, BJ; Vacca, JP Design of novel, potent, noncovalent inhibitors of thrombin with nonbasic P-1 substructures: rapid structure-activity studies by solid-phase synthesis. J Med Chem 41:1011-3 (1998) [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:
BDBM50063565
Synonyms:
1-(2-Amino-3,3-diphenyl-propionyl)-pyrrolidine-2-carboxylic acid 3-methyl-benzylamide | CHEMBL268139
Type:
Small organic molecule
Emp. Form.:
C28H31N3O2
Mol. Mass.:
441.5646
SMILES:
Cc1cccc(CNC(=O)C2CCCN2C(=O)C(N)C(c2ccccc2)c2ccccc2)c1
Structure:
Search PDB for entries with ligand similarity: