Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM32836
Substrate
Boc-Glu-Ala-Arg-AMC
Meas. Tech.
Factor XIa 1536 HTS Dose Response Confirmation
pH
7.4±n/a
Temperature
296.15±n/a K
IC50
2211.126667±286.787314 nM
Citation
 PubChem, PC Factor XIa 1536 HTS Dose Response Confirmation PubChem Bioassay (2008)[AID] 
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:
BDBM32836
Synonyms:
4-[(benzoyloxy)imino]-3,4-dihydro-1lambda~6~-thieno[2,3-b]thiopyran-1,1(2H)-dione | MLS000326514 | SMR000179127 | [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] benzoate | [[7,7-bis(oxidanylidene)-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene]amino] benzoate | benzoic acid [(7,7-diketo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] ester | benzoic acid [(7,7-dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] ester | cid_1480155
Type:
Small organic molecule
Emp. Form.:
C14H11NO4S2
Mol. Mass.:
321.371
SMILES:
O=C(ON=C1CCS(=O)(=O)c2sccc12)c1ccccc1 |w:3.2|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Boc-Glu-Ala-Arg-AMC
Synonyms:
n/a
Type:
fluorescent substrate peptide
Mol. Mass.:
358.43
Organism:
n/a
Description:
n/a
Residue:
3
Sequence:
NA