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Target
Prothrombin
Ligand
BDBM50288457
Substrate
n/a
Meas. Tech.
ChEBML_208327
Ki
4.1±n/a nM
Citation
 Greco, MN; Powell, ET; Hecker, LR; Andrade-Gordon, P; Kauffman, JA; Lewis, JM; Ganesh, V; Tulinsky, A; Maryanoff, BE Novel thrombin inhibitors that are based on a macrocyclic tripeptide motif Bioorg Med Chem Lett 6:2947-2952 (1996)    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:
BDBM50288457
Synonyms:
CHEMBL317974 | macrocyclic tripeptide motif
Type:
Small organic molecule
Emp. Form.:
C36H45N9O8
Mol. Mass.:
731.798
SMILES:
NC(=N)NCCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CNC(=O)\C=C/[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)C1=O)NC=O |c:24|
Structure:
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