Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetCoagulation factor XI
LigandBDBM339919
Substrate/Competitorn/a
Meas. Tech.Inhibition Assay
IC50 33.0±n/a nM
Citation Ikuma, YFukuda, NIwata, MKimura, HSuzuki, K 1-(cycloalkyl-carbonyl)proline derivative US Patent US9758480 Publication Date 9/12/2017  Article
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 | 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:
BDBM339919
NameBDBM339919
Synonyms:Cyclopentylmethyl 5-{[(3S)-1-[(trans-4-{(1S)-1-[(tert-butoxycarbonyl)amino]-2-fluoroethyl}cyclohexyl)carbonyl]-3-(trans-4-methoxycyclohexyl)-L-prolyl]amino}-1-benzofuran-2-carboxylate | US9758480, 178
TypeSmall organic molecule
Emp. Form.C29H32F2N4O4
Mol. Mass.538.5856
SMILESN[C@H](CF)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@@H]([C@H]1C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O)c1ccc(F)cc1 |r,wU:7.10,16.18,1.0,wD:15.35,4.3,(-.96,-15.03,;.37,-15.8,;.37,-17.34,;-.96,-18.11,;1.71,-15.03,;3.04,-15.8,;4.38,-15.03,;4.38,-13.49,;3.04,-12.72,;1.71,-13.49,;5.71,-12.72,;7.04,-13.49,;5.71,-11.18,;4.46,-10.27,;4.94,-8.81,;6.48,-8.81,;6.95,-10.27,;8.29,-11.04,;8.29,-12.58,;9.62,-10.27,;10.96,-11.04,;10.96,-12.58,;12.29,-13.35,;13.62,-12.58,;15.09,-13.06,;15.99,-11.81,;15.09,-10.57,;13.62,-11.04,;12.29,-10.27,;17.53,-11.81,;18.3,-13.15,;18.3,-10.48,;7.25,-7.48,;8.79,-7.48,;9.56,-6.14,;8.79,-4.81,;9.56,-3.47,;7.25,-4.81,;6.48,-6.14,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a