KEGG   DRUG: NimesulideHelp
Entry
D01049                      Drug                                   

Name
Nimesulide (JAN/INN)
Formula
C13H12N2O5S
Exact mass
308.0467
Mol weight
308.3098
Structure
Mol fileKCF fileDB search
Class
Anti-inflammatory
 DG01504  Nonsteroidal antiinflammatory drug (NSAID)
Remark
ATC code: M01AX17 M02AA26
Efficacy
Analgesic, Anti-inflammatory, Antipyretic, COX-2 inhibitor
Comment
Sulfonamide derivative
Target
PTGS2 (COX2) [HSA:5743] [KO:K11987]
  Pathway
hsa00590  Arachidonic acid metabolism
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M01 ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
   M01A ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS, NON-STEROIDS
    M01AX Other antiinflammatory and antirheumatic agents, non-steroids
     M01AX17 Nimesulide
      D01049  Nimesulide (JAN/INN)
  M02 TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
   M02A TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
    M02AA Antiinflammatory preparations, non-steroids for topical use
     M02AA26 Nimesulide
      D01049  Nimesulide (JAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Prostaglandin synthase
    PTGS2 (COX2)
     D01049  Nimesulide (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 51803-78-2
PubChem: 7848112
ChEBI: 44445
ChEMBL: CHEMBL56367
PDB-CCD: NIM[PDBj]
LigandBox: D01049
NIKKAJI: J12.917H
LinkDB All DBs
KCF data Show

ATOM        21
            1   C8y C    25.6724  -16.9148
            2   C8x C    25.6724  -18.3147
            3   C8y C    26.8886  -19.0112
            4   C8x C    28.0978  -18.3147
            5   C8x C    28.0978  -16.9148
            6   C8y C    26.8886  -16.2114
            7   C8x C    20.8395  -16.9217
            8   C8x C    20.8395  -18.3217
            9   C8x C    22.0556  -19.0181
            10  C8x C    23.2648  -18.3217
            11  C8y C    23.2648  -16.9217
            12  C8x C    22.0556  -16.2183
            13  O2a O    24.4695  -16.2114
            14  N1b N    26.8752  -14.8114
            15  S4a S    28.0853  -14.1079
            16  C1a C    29.2953  -13.3972
            17  O3c O    28.7817  -15.3179
            18  O3c O    27.3817  -12.8907
            19  N2b N    26.8752  -20.4112 #+
            20  O3a O    25.5883  -21.1775 #-
            21  O3a O    28.0853  -21.1146
BOND        22
            1     9  10 2
            2    10  11 1
            3    11  12 2
            4    12   7 1
            5     6   1 1
            6    11  13 1
            7    13   1 1
            8     6  14 1
            9     1   2 2
            10   14  15 1
            11    2   3 1
            12   15  16 1
            13    3   4 2
            14   15  17 2
            15    4   5 1
            16   15  18 2
            17    5   6 2
            18    3  19 1
            19    7   8 2
            20   19  20 1
            21    8   9 1
            22   19  21 2

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