Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM339884
Substrate
n/a
Meas. Tech.
Inhibition Assay
IC50
34.0±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:
BDBM339884
Synonyms:
5-{(2S,3S)-1-[trans-4-(tert-Butoxycarbonylaminomethyl)cyclohexanecarbonyl]-3-phenylpyrrolidine-2-carboxamide}-1H-indole-2-carboxamide | US9758480, 24
Type:
Small organic molecule
Emp. Form.:
C28H33N5O3
Mol. Mass.:
487.5933
SMILES:
NC[C@H]1CC[C@@H](CC1)C(=O)N1CCC([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(N)=O)c1ccccc1 |r,wU:5.8,14.16,wD:2.1,(-8.46,2.24,;-7.12,1.47,;-5.79,2.24,;-4.46,1.47,;-3.12,2.24,;-3.12,3.78,;-4.46,4.55,;-5.79,3.78,;-1.79,4.55,;-.45,3.78,;-1.79,6.09,;-3.03,6.99,;-2.56,8.46,;-1.02,8.46,;-.54,6.99,;.79,6.22,;.79,4.68,;2.12,6.99,;3.46,6.22,;3.46,4.68,;4.79,3.91,;6.17,4.65,;7.65,4.24,;8.52,5.51,;7.58,6.73,;6.13,6.22,;4.79,6.99,;10.06,5.56,;10.87,4.25,;10.79,6.91,;.07,9.54,;1.56,9.15,;2.65,10.23,;2.25,11.72,;.76,12.12,;-.33,11.03,)|
Structure:
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