Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCoagulation factor XI
LigandBDBM413777
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 0.550±n/a nM
Citation Jimenez Nunez, EAckerstaff, JRoehrig, SHillisch, AMeier, KHeitmeier, STersteegen, AStampfuss, JEllerbrock, PMeibom, DLang, D Substituted oxopyridine derivatives US Patent US11180471 Publication Date 11/23/2021
More Info.:Get all data from this article,  Assay Method
 
Coagulation factor XI
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:
MIFLYQVVHFILFTSVSGECVTQLLKDTCFEGGDITTVFTPSAKYCQVVCTYHPRCLLFT
FTAESPSEDPTRWFTCVLKDSVTETLPRVNRTAAISGYSFKQCSHQISACNKDIYVDLDM
KGINYNSSVAKSAQECQERCTDDVHCHFFTYATRQFPSLEHRNICLLKHTQTGTPTRITK
LDKVVSGFSLKSCALSNLACIRDIFPNTVFADSNIDSVMAPDAFVCGRICTHHPGCLFFT
FFSQEWPKESQRNLCLLKTSESGLPSTRIKKSKALSGFSLQSCRHSIPVFCHSSFYHDTD
FLGEELDIVAAKSHEACQKLCTNAVRCQFFTYTPAQASCNEGKGKCYLKLSSNGSPTKIL
HGRGGISGYTLRLCKMDNECTTKIKPRIVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSI
IGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYD
IALLKLETTVNYTDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLV
TNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCA
QRERPGVYTNVVEYVDWILEKTQAV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM413777
n/a
NameBDBM413777
Synonyms:N-(Quinoxalin-6-yl)-(2S)-2-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-5-methoxy-2-oxopyridin-1(2H)-yl}butanamide (Enantiomer 2) | US10421742, Example 170 | US11180471, Example 170
TypeSmall organic molecule
Emp. Form.C26H21Cl2N7O3
Mol. Mass.550.396
SMILESCC[C@@H](C(=O)Nc1ccc2nccnc2c1)n1cc(OC)c(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: