Reaction Details Report a problem with these data
Target
Coagulation factor XI
Ligand
BDBM32896
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
111.516667±55.323067 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:
BDBM32896
Synonyms:
MLS000679754 | N-(2-butyl-1,2,3,4-tetrazol-5-yl)-N-thiophen-2-ylcarbonyl-thiophene-2-carboxamide | N-(2-butyl-2H-tetrazol-5-yl)-N-(2-thienylcarbonyl)-2-thiophenecarboxamide | N-(2-butyl-5-tetrazolyl)-N-[oxo(thiophen-2-yl)methyl]-2-thiophenecarboxamide | N-(2-butyltetrazol-5-yl)-N-(2-thenoyl)thiophene-2-carboxamide | N-(2-butyltetrazol-5-yl)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide | SMR000296997 | cid_1828813
Type:
Small organic molecule
Emp. Form.:
C15H15N5O2S2
Mol. Mass.:
361.442
SMILES:
CCCCn1nnc(n1)N(C(=O)c1cccs1)C(=O)c1cccs1
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