Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM339911
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
380±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:
BDBM339911
Synonyms:
US9758480, 137
Type:
Small organic molecule
Emp. Form.:
C34H44F2N4O3
Mol. Mass.:
594.735
SMILES:
N[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@H]([C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)c(F)c1)C1CCCCC1 |r,wU:16.18,15.40,7.10,1.0,wD:4.3,(-11.29,-28.71,;-9.96,-29.48,;-9.96,-31.02,;-11.29,-31.79,;-8.62,-28.71,;-7.29,-29.48,;-5.96,-28.71,;-5.96,-27.17,;-7.29,-26.4,;-8.62,-27.17,;-4.62,-26.4,;-3.29,-27.17,;-4.62,-24.86,;-5.87,-23.95,;-5.39,-22.49,;-3.85,-22.49,;-3.38,-23.95,;-2.04,-24.72,;-2.04,-26.26,;-.71,-23.95,;.62,-24.72,;.62,-26.26,;1.96,-27.03,;3.29,-26.26,;4.62,-27.03,;4.62,-28.57,;5.96,-26.26,;7.29,-27.03,;8.62,-26.26,;9.96,-27.03,;11.29,-26.26,;11.29,-24.72,;9.96,-23.95,;8.62,-24.72,;3.29,-24.72,;4.62,-23.95,;1.96,-23.95,;-2.77,-21.4,;-3.16,-19.91,;-2.07,-18.82,;-.59,-19.22,;-.19,-20.71,;-1.28,-21.8,)|
Structure:
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