Etoricoxib

6

MET 6 (A) H-donor

MET 6 (A) H-donor

ARG 298 (A) H-acceptor

ARG 298 (A) H-acceptor

TYR 154 (A) H-pi

TYR 154 (A) pi-H

−4.7708

2

Aspirin

2

GLN 110 (A) H-donor

HIS 246 (A) H-acceptor

−4.4247

18

Diclofenac

2

THR 25 (A) pi-H

THR 26 (A) pi-H

−4.7717

16

Meloxicam

2

ASP 153 (A) H-donor

TYR 154 (A) H-pi

−4.9258

15

Ibuprofen

5

CYS 145 (A) H-donor

HIS 163 (A) H-acceptor

HIS 41 (A) H-pi

MET 165 (A) pi-H

GLU 166 (A) pi-H

−5.6501

5

Ketoprofen

2

HIS 41 (A) H-acceptor

HIS 41 (A) H-pi

−5.7020

11

Parecoxib

3

GLU 288 (A) H-donor

LYS 137 (A) H-acceptor

LYS 137 (A) pi-H

−5.2472

7

Etodolac

3

GLN 74 (A) H-donor

LEU 67 (A) pi-H

LEU 67 (A) pi-H

−4.8638

8

Piroxicam

3

ASP 48 (A) H-donor

ASP 48 (A) H-acceptor

ASN 53 (A) pi-H

−4.9016

9

Prednisolone

2

GLN 107 (A) H-donor

HIS 246 (A) H-acceptor

−5.0142

14

Hydrocortisone

2

ASP 153 (A) H-donor

HOH 440 (A) H-donor

−5.0211

13

Budesonide

4

GLN 107 (A) H-donor

ASP 245 (A) H-donor

HIS 246 (A) H-acceptor

HOH 483 (A) H-acceptor

−4.8355

6

Beclomethasone

3

HOH 434 (A) H-donor

LYS 5 (A) H-acceptor

LYS 5 (A) H-acceptor

−4.8445

10

Mometasone

0

-

0

20