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Target
Coagulation factor XI
Ligand
BDBM50183937
Substrate
n/a
Meas. Tech.
ChEMBL_364595 (CHEMBL854192)
IC50
425±n/a nM
Citation
 Deng, H; Bannister, TD; Jin, L; Babine, RE; Quinn, J; Nagafuji, P; Celatka, CA; Lin, J; Lazarova, TI; Rynkiewicz, MJ; Bibbins, F; Pandey, P; Gorga, J; Meyers, HV; Abdel-Meguid, SS; Strickler, JE Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine. Bioorg Med Chem Lett 16:3049-54 (2006) [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:
BDBM50183937
Synonyms:
(S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-butyl]-2-((R)-2-hydroxy-2-phenyl-acetylamino)-3-methyl-butyramide | CHEMBL383645
Type:
Small organic molecule
Emp. Form.:
C22H30N6O4S
Mol. Mass.:
474.576
SMILES:
[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#8])-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1
Structure:
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