Reaction Details | |||
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Report a problem with these data | |||
Target | Coagulation factor XI | ||
Ligand | BDBM339913 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Inhibition Assay | ||
IC50 | 3450±n/a nM | ||
Citation | Ikuma, Y; Fukuda, N; Iwata, M; Kimura, H; Suzuki, K 1-(cycloalkyl-carbonyl)proline derivative US Patent US9758480 Publication Date 9/12/2017 | ||
More Info.: | Get all data from this article, Assay Method | ||
Coagulation factor XI | |||
Name: | Coagulation factor XI | ||
Synonyms: | Coagulation factor XIa | Coagulation factor XIa heavy chain | Coagulation factor XIa light chain | F11 | FA11_HUMAN | FXI | Factor XIa | Factor XIa (fXIa) | PTA | Plasma thromboplastin antecedent | ||
Type: | Enzyme | ||
Mol. Mass.: | 70130.58 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P03951 | ||
Residue: | 625 | ||
Sequence: |
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BDBM339913 | |||
n/a | |||
Name | BDBM339913 | ||
Synonyms: | 3-Ethoxypropyl 5-({(3R)-1-[(trans-4-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-phenyl-L-prolyl}amino)-1H-indole-2-carboxylate | US9758480, 141 | ||
Type | Small organic molecule | ||
Emp. Form. | C36H49FN3O5 | ||
Mol. Mass. | 622.7898 | ||
SMILES | N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc2cc(cc2c1)C(=O)OCC1CCOCC1)C1CCCCC1 |r,wU:7.10,15.43,16.18,1.0,wD:4.3,(-27.02,-11.64,;-25.69,-12.41,;-25.69,-13.95,;-27.02,-14.72,;-24.36,-11.64,;-23.02,-12.41,;-21.69,-11.64,;-21.69,-10.1,;-23.02,-9.33,;-24.36,-10.1,;-20.36,-9.33,;-19.02,-10.1,;-20.36,-7.79,;-21.6,-6.89,;-21.13,-5.42,;-19.59,-5.42,;-19.11,-6.89,;-17.78,-7.66,;-17.78,-9.2,;-16.44,-6.89,;-15.11,-7.66,;-15.11,-9.2,;-13.77,-9.97,;-12.44,-9.2,;-10.98,-9.67,;-10.07,-8.43,;-10.98,-7.18,;-12.44,-7.66,;-13.77,-6.89,;-8.53,-8.43,;-7.76,-7.09,;-7.76,-9.76,;-6.22,-9.76,;-5.45,-11.1,;-6.22,-12.44,;-5.44,-13.77,;-3.91,-13.77,;-3.13,-12.44,;-3.9,-11.1,;-18.82,-4.09,;-17.28,-4.09,;-16.51,-2.75,;-17.28,-1.42,;-18.82,-1.42,;-19.59,-2.75,)| | ||
Structure |