Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM339904
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
1500±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 
Target
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:
MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFTFTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDMKGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITKLDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFTFFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTDFLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKILHGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
  
Inhibitor
Name:
BDBM339904
Synonyms:
US9758480, 115
Type:
Small organic molecule
Emp. Form.:
C29H40FN5O3
Mol. Mass.:
525.658
SMILES:
Cc1noc(n1)-c1ccc(NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](CC2)[C@H](N)CF)C2CCCCC2)cc1 |r,wU:20.21,14.32,13.13,26.29,wD:23.28,(18.82,-10.25,;17.36,-10.73,;16.88,-12.19,;15.34,-12.19,;14.86,-10.73,;16.11,-9.82,;13.4,-10.25,;13.4,-8.71,;12.07,-7.94,;10.73,-8.71,;9.4,-7.94,;8.06,-8.71,;8.06,-10.25,;6.73,-7.94,;6.26,-6.48,;4.72,-6.48,;4.24,-7.94,;5.49,-8.85,;5.49,-10.39,;6.82,-11.16,;4.15,-11.16,;4.15,-12.7,;2.82,-13.47,;1.48,-12.7,;1.48,-11.16,;2.82,-10.39,;.15,-13.47,;-1.18,-12.7,;.15,-15.01,;-1.18,-15.78,;7.03,-5.14,;8.57,-5.14,;9.34,-3.81,;8.57,-2.48,;7.03,-2.48,;6.26,-3.81,;10.73,-10.25,;12.07,-11.02,)|
Structure:
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