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Target
Coagulation factor XI
Ligand
BDBM50272576
Substrate
n/a
Meas. Tech.
ChEMBL_510239 (CHEMBL1005617)
Ki
115±n/a nM
Citation
 Shiraishi, T; Kadono, S; Haramura, M; Kodama, H; Ono, Y; Iikura, H; Esaki, T; Koga, T; Hattori, K; Watanabe, Y; Sakamoto, A; Yoshihashi, K; Kitazawa, T; Esaki, K; Ohta, M; Sato, H; Kozono, T Factor VIIa inhibitors: target hopping in the serine protease family using X-ray structure determination. Bioorg Med Chem Lett 18:4533-7 (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:
BDBM50272576
Synonyms:
3-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbamoyl)-3-methylsulfanyl-propylcarbamoyl]-2-methyl-butylsulfamoyl}-methyl)-benzoic acid | CHEMBL527117
Type:
Small organic molecule
Emp. Form.:
C27H37N5O6S2
Mol. Mass.:
591.743
SMILES:
CC[C@H](C)[C@H](NS(=O)(=O)Cc1cccc(c1)C(O)=O)C(=O)N[C@@H](CCSC)C(=O)NCc1ccc(cc1)C(N)=N |r|
Structure:
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