Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM50271072
Substrate
n/a
Meas. Tech.
ChEMBL_552796 (CHEMBL954833)
IC50
27000±n/a nM
Citation
 Buchanan, MS; Carroll, AR; Wessling, D; Jobling, M; Avery, VM; Davis, RA; Feng, Y; Xue, Y; Oster, L; Fex, T; Deinum, J; Hooper, JN; Quinn, RJ Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa. J Med Chem 51:3583-7 (2008) [PubMed]  Article 
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:
BDBM50271072
Synonyms:
2-(2-Amino-2-oxoethyl)-3,5-dibromo-4-hydroxyphenyl(4-carbamimidamidobutyl)carbamate | CHEMBL486904
Type:
Small organic molecule
Emp. Form.:
C14H19Br2N5O4
Mol. Mass.:
481.14
SMILES:
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-c1cc(Br)c(-[#8])c(Br)c1-[#6]-[#6](-[#7])=O
Structure:
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