Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM339915
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
205±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:
BDBM339915
Synonyms:
US9758480, 147
Type:
Small organic molecule
Emp. Form.:
C28H41FN4O5S
Mol. Mass.:
564.712
SMILES:
CS(=O)(=O)NC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](CCN2C(=O)[C@H]2CC[C@@H](CC2)[C@H](N)CF)C2CCCCC2)cc1 |r,wU:21.21,15.32,14.13,27.29,wD:24.28,(-7.11,-10.74,;-8.44,-9.97,;-8.44,-11.51,;-7.11,-9.2,;-9.77,-9.2,;-11.11,-9.97,;-11.11,-11.51,;-12.44,-9.2,;-12.44,-7.66,;-13.77,-6.89,;-15.11,-7.66,;-16.44,-6.89,;-17.78,-7.66,;-17.78,-9.2,;-19.11,-6.89,;-19.59,-5.42,;-21.13,-5.42,;-21.6,-6.89,;-20.36,-7.79,;-20.36,-9.33,;-19.02,-10.1,;-21.69,-10.1,;-21.69,-11.64,;-23.02,-12.41,;-24.36,-11.64,;-24.36,-10.1,;-23.02,-9.33,;-25.69,-12.41,;-27.02,-11.64,;-25.69,-13.95,;-27.02,-14.72,;-18.82,-4.09,;-17.28,-4.09,;-16.51,-2.75,;-17.28,-1.42,;-18.82,-1.42,;-19.59,-2.75,;-15.11,-9.2,;-13.77,-9.97,)|
Structure:
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