Literature summary for 3.4.21.27 extracted from

Buchanan, M.S.; Carroll, A.R.; Wessling, D.; Jobling, M.; Avery, V.M.; Davis, R.A.; Feng, Y.; Xue, Y.; Oster, L.; Fex, T.; Deinum, J.; Hooper, J.N.; Quinn, R.J.
Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa (2008), J. Med. Chem., 51, 3583-3587.

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Crystallization (Commentary)

Crystallization (Comment)	Organism
hanging drop method	Homo sapiens

Protein Variants

Protein Variants	Comment	Organism
S434A/K437A/T475A/C482S	to improve crystallizability a quadrupole mutant is generated	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
2,4-dibromo-3-([(4-carbamimidamidobutyl) carbamoyl]oxy)-6-hydroxyphenyl acetic acid	clavatadine A	Homo sapiens
2-(2-amino-2-oxoethyl)-3,5-dibromo-4-hydroxyphenyl (4-carbamimidamidobutyl)carbamate	clavatadine B	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P03951	-	-

Purification (Commentary)

Purification (Comment)	Organism
-	Homo sapiens

Source Tissue

Source Tissue	Comment	Organism	Textmining
blood plasma	-	Homo sapiens	-

Synonyms

Synonyms	Comment	Organism
factor XIa	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.0013	-	-	Homo sapiens	clavatadine A
0.027	-	-	Homo sapiens	clavatadine B

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Release 2023.1 (January 2023)