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Target
Prothrombin
Ligand
BDBM50149023
Substrate
n/a
Meas. Tech.
ChEMBL_479759 (CHEMBL934691)
Ki
4±n/a nM
Citation
 Kreutter, KD; Lu, T; Lee, L; Giardino, EC; Patel, S; Huang, H; Xu, G; Fitzgerald, M; Haertlein, BJ; Mohan, V; Crysler, C; Eisennagel, S; Dasgupta, M; McMillan, M; Spurlino, JC; Huebert, ND; Maryanoff, BE; Tomczuk, BE; Damiano, BP; Player, MR Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif. Bioorg Med Chem Lett 18:2865-70 (2008) [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:
BDBM50149023
Synonyms:
3-{[1-({[(diaminomethylidene)amino]oxy}methyl)cyclopropyl]methoxy}-N-(furan-3-ylmethyl)-5-methyl-N-propylbenzamide | CHEMBL121396 | Oxyguanidine derivative
Type:
Small organic molecule
Emp. Form.:
C22H30N4O4
Mol. Mass.:
414.498
SMILES:
CCCN(Cc1ccoc1)C(=O)c1cc(C)cc(OCC2(CONC(N)=N)CC2)c1
Structure:
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