Factor Xa in complex with a phenylenediamine derivative

Design, synthesis and SAR of novel ethylenediamine and phenylenediamine derivatives as factor Xa inhibitors.

IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRF
TKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSS
SFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMK

macro-seeding, soak at pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

THE SAME PROTEIN COMPLEXED WITH STRUCTURALLY RELATED inhibitor

BABINET MODEL PARAMETERS FOR MASK CACLULATION

protein inhibitor complex, blood coaggulation, cleavage of basic residues, disulfide bond, EGF-like domain, hydroxylation, protease, secreted, zymogen, glycoprotein, hydrolase, blood coaggulation factor, serine protease, gamma-carboxyglutamic acid, plasma, hydrolase-hydrolase inhibitor complex