Table 4.

Interaction residues of the cP-gp model with all the ligands.

Molecule	M-site	R-site	H-site
Hoechst 33342	Thr945, Ala871, Met949, Glu875, Phe942, His61, Ala869, Gly989, Val991, Gln195, Met948, Val873, Gly872, Val865, Ser992, Ala947, Ile870, Val988, Leu843, Gln132, Met876, Ile868, Gln946	-	Glu29, Lys181, Asp177, Lys25, Asp26, Lys887, Lys28, Asn357, Glu184, Glu24, Lys27, Leu890, Asn183
Verapamil	Met986, Glu875, Met949, Gly989, Ile868, Met876, Ala985, Val982, Gly872, Val988, Ala869, Ala871, Val873, Ser952, Gln990, Leu3, Val865	-	Asp886, Lys934, Phe938, Ser931, Lys887, Glu184, Ala883, Cys137, Asn183, Leu879, Lys885, Ala935, Ser880, Ile937, Leu890, Asn930, Gln882, Gly141, Asp188, Ser180
Rhodamine123	-	Lys13, Asp997, Gln824, Ser831, Asp6, Ala823, Phe994, Gly9, Gly827, Leu236, Ile829, Ala828, Leu833, Arg673, Lys14, Gly830, Lys826	Glu184, Asp188, Lys189, Phe938, Lys877, Lys887, Cys137, Lys934, Asn183, Ile186, Asp886, Ser931, Ala140, Gly187, Val133, Val185, Ala883
Achillin	Leu861, Val982, Phe978, Leu862, Ile868, Ala985, Ser952, Ile847, Thr858, Phe983, Met986, Val865, Val981	Gln824, Lys13, Lys14, Ala823, Lys826, Asp679, Asp997, Arg673, Lys1000, Asn15, Phe16, Phe17, Ala828, Gly10, Gly827	-