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Reaction Details
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TargetCoagulation factor XI
LigandBDBM32804
Substrate/CompetitorBoc-Glu-Ala-Arg-AMC
Meas. Tech.Factor XIa 1536 HTS Dose Response Confirmation
pH7.4±n/a
Temperature296.15±n/a K
IC50 3812.873333±896.87748 nM
Citation PubChem, PC Factor XIa 1536 HTS Dose Response Confirmation PubChem Bioassay(2008)[AID]  Article
More Info.:Get all data from this article,   Solution Info,  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:
BDBM32804
NameBDBM32804
Synonyms:2-[[(1S)-1-[[(1S)-1-[(1-formyl-4-guanidino-butyl)carbamoyl]-2-methyl-propyl]carbamoyl]-4-guanidino-butyl]carbamoylamino]-3-phenyl-propionic acid | 2-[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]carbamoylamino]-3-phenylpropanoic acid | 2-[[(2S)-5-[bis(azanyl)methylideneamino]-1-[[(2S)-1-[[5-[bis(azanyl)methylideneamino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamoylamino]-3-phenyl-propanoic acid | 2-[[[[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-oxomethyl]amino]-3-phenylpropanoic acid | ANTIPAIN | MLS000028862 | SMR000059007 | cid_6852398
TypeSmall organic molecule
Emp. Form.C27H44N10O6
Mol. Mass.604.7017
SMILES[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6]=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
Boc-Glu-Ala-Arg-AMC
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:
n/a