Skip to main content
. Author manuscript; available in PMC: 2021 Oct 1.
Published in final edited form as: Bioorg Chem. 2020 Aug 28;103:104165. doi: 10.1016/j.bioorg.2020.104165

TABLE 2A.

The list of hydrogen bonds, hydrophobic interactions and other non-covalent interactions of analogs docked in human FAAH enzyme.

Compound H-bonds Hydrophobic interactions Other non-covalent interactions
URB-597 G485 F192, S193, Y194, G239, F244, L401, L404, I407, M436, T488, V491, W531 M191, G240, S241, F381, D403, R486, I530
AUDA G272 M191, F192, S193, Y194, I238, G239, F244, V270, Q273, L278, V491 S190, S217, S241, C269, Y271, E274
4-1 N/A F192, S193, Y194, G239, G240, S241, F244, F381,
L404, I407, V422, L429, F432, L433, M436, T488, V491, I530, W531		 M191, G216, S217, L380, L401, G485
4-2 G485 F192, S193, Y194, I238, G239, G240, S241, F244, L404, I407, V422, L429, L433, T488, V491, I530, W531 M191, G216, S217, F381, L401, P484
4-3 N/A F192, S193, Y194, G239, S241, F244, L380, F381, L404, I407, V422, L429, F432, L433, M436, T488, V491, I530, W531 G216, S217, M191, I238, G240
4-4 N/A F192, S193, Y194, I238, G239, G240, S241, F244, F381, L404, I407, V422, L429, F432, L433, M436, T488, V491 I530, W531 M191, G216, S217, L380, L401, G485, M495
4-5 N/A F192, S193, Y194, I238, G239, G240, S241, F244, F381, L404, I407, V422, L429, F432, L433, M436, T488, V491 I530, W531 M191, G216, S217, L380, G485, M495
4-6 N/A F192, S193, Y194, I238, G239, L380, L404, I407, V422, L429, L433, M436, T488, V491, M495, I530, W531 M191, S241, F244, F381, G485
4-7 N/A F192, S193, Y194, I238, G239, G240, S241, F244, F381, L404, I407, V422, L429, F432, L433, M436, T488, V491, I530, W531 M191, G216, S217, L380, L401, G485, M495
4-8 N/A F192, S193, Y194, I238, G239, G240, S241, F244, F381, L404, I407, V422, L429, F432, L433, M436, T488, V491, I530, W531 M191, G216, S217, L380, G485, M495
4-9 N/A F192, S193, Y194, I238, G239, G240, S241, F244, F381, L404, I407, V422, L429, F432, L433, M436, T488, V491, I530, W531 M191, G216, S217, L380, L401, G485
4-10 N/A F192, S193, Y194, I238, G239, G240, S241, F244, F381, L404, I407, V422, L429, F432, L433, M436, T488, V491, I530, W531 M191, G216, S217, L380, L401, G485
4-11 G485 F192, S193, Y194, I238, G239, G240, S241, F244, L404, I407, V422, L429, L433, T488, V491, I530, W531 M191, G216, F381, L401, P484
4-12 G485 F192, S193, Y194, L380, F381, L404, I407, V422, L429, F432, L433, T488, V491, M495, I530, W531 M191, T377, L401, D403, P484
4-13 G485 F192, S193, Y194, I238, G239, S241, F244, L404, I407, V422, L429, L433, T488, V491, I530, W531 M191, S217, F381, L401, D403, P484
4-14 N/A F192, S193, Y194, G239, G240, S241, F244, F381, L404, I407, V422, L429, F432, L433, M436, T488, V491, I530, W531 M191 G216, S217, L380
4-15 N/A M191, F192, S193, Y194, I238, G239, F381, L404, I407, V422, L429, F432, L433, M436, T488, V491, I530, W531 S241, F244, M495
4-16 N/A M191, F192, S193, G239, L404, I407, V422, L429, F432, L433, M436, T488, I530, W531 Y194, S217, S241, F244, G485, V491
4-17 N/A M191, F192, S193, I238, G239, L404, I407, V422, L429, F432, L433, M436, T488, I530, W531 Y194, S217, S241, F244, G485, V491
4-18 N/A M191, F192, S193, I238, G239, L380, F381, L404, I407, V422, L429, F432, L433, M436, T488, I530, W531 Y194, S241, F244, V491
4-19 N/A M191, F192, S193, I238, G239, L380, F381, L404, I407, V422, L429, F432, L433, M436, T488, V491, I530, W531 Y194, S241, F244, M495
4-20 N/A M191, F192, S193, Y194, I238, G239, L404, I407, V422, L429, L433, M436, T488, I530, W531 G216, S217, S241, F244, L401, G485, V491
4-21 N/A M191, F192, S193, Y194, I238, G239, L380, L404, I407, L429, L433, M436, T488, V491, I530, W531 G216, S241, F244, G485
4-22 G485 F192, S193, Y194, G239, G240, S241, F244, L404, I407, V422, L429, L433, T488, V491, M495, I530, W531 M191, G216, F381, P484
4-23 N/A M191, F192, S193, Y194, I238, G239, L380, F381, L404, I407, L429, L433, T488, V491, I530, W531 S217, S241, F244, L401, P484, G485
4-24 G485 Y194, G239, F381, F432, L404, I407, V422, L429, F432, L433, T488, V491, M495, I530, W531 F192, T377, L401, D403, P484
4-25 G485 F192, S193, Y194, L380, F381, L404, I407, V422, L429, F432, L433, T488, V491, M495, I530, W531 M191, T377, L401, D403, P484
4-26 N/A M191, F192, S193, Y194, I238, G239, L380, L404, I407, V422, L429, F432, L433, M436, T488, I530, W531 G216, S217, S241, F244, G485, V491, M495
4-27 N/A M191, F192, S193, Y194, I238, G239, L266, G268, Y271, T377, F381, L404, F432, M436, T488, V491, M495 S190, S217, T236, G240, S241, K267, V270
4-28 N/A M191, F192, S193, Y194, I238, G239, L380, L404, I407, V422, L429, L433, M436 G216, S217, S241, F244, P484, G485
4-29 I238 M191, F192, S193, Y194, G239, F244, L266, G268, Y271, L278, T377, L380, F381, L404, F432, M436, T488, V491, M495 S190, S217, T236, D237, G240, S241, K267, C269, V270, L401, P484
4-30 G485 S193, Y194, G239, S376, T377, L380, F381, D403, L404, I407, V422, F432, L433, T488, V491, M495, I530, W531 F192, L401, P484