Literature summary for 3.4.21.6 extracted from

Adler, M.; Kochanny, M.J.; Ye, B.; Rumennik, G.; Light, D.R.; Biancalana, S.; Whitlow, M.
Crystal structures of two potent nonamidine inhibitors bound to factor Xa (2002), Biochemistry, 41, 15514-15523.

Crystallization (Commentary)

Crystallization (Comment)	Organism
purified factor Xa, cleaved to des-Gla-factor Xa via limited proteolysis with chymotrypsin, is crystallized in complex with inhibitors 3-chloro-N-(4-chloro-2-([(4-chlorophenyl)-amino]carbonyl)phenyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide and 3-chloro-N-(4-chloro-2-([(5-chloro-2-pyridinyl)amino]carbonyl)-6-methoxyphenyl)-4-([(4,5-dihydro-2-oxazolyl)methylamino]methyl)-2-thiophenecarboxamide, within 2-4 weeks in 15-21% PEG 1500 and 10 mM CaCl2, or from 0.1 M imidazole/malate, pH 5.5, 0.5 M sodium acetate, pH 5.0, 24% PEG 3350, and 5 mM CaCl2, X-ray diffraction structure determination and analysis at 2.1-25 A	Homo sapiens

Crystallization (Comment)

Organism

purified factor Xa, cleaved to des-Gla-factor Xa via limited proteolysis with chymotrypsin, is crystallized in complex with inhibitors 3-chloro-N-(4-chloro-2-([(4-chlorophenyl)-amino]carbonyl)phenyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide and 3-chloro-N-(4-chloro-2-([(5-chloro-2-pyridinyl)amino]carbonyl)-6-methoxyphenyl)-4-([(4,5-dihydro-2-oxazolyl)methylamino]methyl)-2-thiophenecarboxamide, within 2-4 weeks in 15-21% PEG 1500 and 10 mM CaCl2, or from 0.1 M imidazole/malate, pH 5.5, 0.5 M sodium acetate, pH 5.0, 24% PEG 3350, and 5 mM CaCl2, X-ray diffraction structure determination and analysis at 2.1-25 A

Homo sapiens

Inhibitors

Inhibitors	Comment	Organism	Structure
3-chloro-N-(4-chloro-2-([(4-chlorophenyl)-amino]carbonyl)phenyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-thiophenecarboxamide	binding structure and mechanism	Homo sapiens
3-chloro-N-(4-chloro-2-([(5-chloro-2-pyridinyl)amino]carbonyl)-6-methoxyphenyl)-4-([(4,5-dihydro-2-oxazolyl)methylamino]methyl)-2-thiophenecarboxamide	binding structure and mechanism, good bioavailability	Homo sapiens

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P00742	-	-

Reaction

Reaction	Comment	Organism	Reaction ID
selective cleavage of Arg-/-Thr and then Arg-/-Ile bonds in prothrombin to form thrombin	scutelarin has similar specificity	Homo sapiens	a

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
prothrombin + H2O	-	Homo sapiens	thrombin + ?	-	?

Synonyms

Synonyms	Comment	Organism
More	the enzyme belongs to the peptidase family S1, i.e. trypsin family	Homo sapiens

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism	Structure
0.000000007	-	3-chloro-N-(4-chloro-2-([(5-chloro-2-pyridinyl)amino]carbonyl)-6-methoxyphenyl)-4-([(4,5-dihydro-2-oxazolyl)methylamino]methyl)-2-thiophenecarboxamide	-	Homo sapiens