Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM339874
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
125±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:
BDBM339874
Synonyms:
5-{cis-1-[trans-4-(Aminomethyl)cyclohexanecarbonyl]-N-methyl-3-phenylpyrrolidine-2-carboxamide}-1H-indole-2-carboxylic acid trifluoroacetate | US9758480, 5
Type:
Small organic molecule
Emp. Form.:
C29H34N4O4
Mol. Mass.:
502.6047
SMILES:
CN(C(=O)C1C(CCN1C(=O)[C@H]1CC[C@H](CN)CC1)c1ccccc1)c1ccc2[nH]c(cc2c1)C(O)=O |r,wU:14.15,wD:11.11,(-.4,.31,;-.4,-1.23,;.94,-2,;.94,-3.54,;2.27,-1.23,;3.68,-1.86,;4.71,-.72,;3.94,.62,;2.43,.3,;1.29,1.33,;-.18,.85,;1.61,2.83,;3.07,3.31,;3.39,4.82,;2.25,5.85,;2.57,7.35,;4.03,7.83,;.78,5.37,;.46,3.86,;4,-3.37,;2.85,-4.4,;3.17,-5.9,;4.64,-6.38,;5.78,-5.35,;5.46,-3.84,;-1.73,-2,;-1.73,-3.54,;-3.07,-4.31,;-4.4,-3.54,;-5.86,-4.02,;-6.77,-2.77,;-5.86,-1.53,;-4.4,-2,;-3.07,-1.23,;-8.31,-2.77,;-9.08,-4.11,;-9.08,-1.44,)|
Structure:
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