Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM289842
Substrate
n/a
Meas. Tech.
Factor XIa Assay
pH
7.4±n/a
Temperature
298.15±n/a K
Ki
145±n/a nM
Comments
extracted
Citation
 Lim, Y; Guo, Z; Ali, A; Edmondson, SD; Liu, W; Gallo-Etienne, GV; Wu, H; Gao, Y; Stamford, AW; Yu, Y; Kevin, NJ; Anand, R; Sha, D; Neelamkavil, SF; Hussain, Z; Kumar, P; Moningka, R; Duffy, JL; Xu, J; Jiang, Y; Chakrabarti, A; Sone, H Factor XIa inhibitors US Patent  US10093683 Publication Date 10/9/2018 
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:
BDBM289842
Synonyms:
N-((2S)-1-(6-chloro-2-oxo-1,2-dihydrospiro[benzo[d][1,3]oxazine-4,3′-pyrrolidine]-1′-yl)-1-oxo-3-phenylpropan-2-yl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-7-carboxamide 1,1-dioxide | US10093683, Example 193
Type:
Small organic molecule
Emp. Form.:
C29H25ClN4O7S
Mol. Mass.:
609.049
SMILES:
Clc1ccc2NC(=O)OC3(CCN(C3)C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc4NC(=O)CS(=O)(=O)c4c3)c2c1 |r|
Structure:
Search PDB for entries with ligand similarity: