KEGG   DRUG: Cipemastat
Entry
D03517                      Drug                                   

Name
Cipemastat (USAN/INN);
Trocade (TN)
Formula
C22H36N4O5
Exact mass
436.2686
Mol weight
436.545
Structure
Efficacy
Antirheumatic, Cartilaage protectant, Matrix metalloproteinase inhibitor
Comment
Cartilage protective agent in rheumatoid arthritis
Target
MMP1 [HSA:4312] [KO:K01388]
MMP8 [HSA:4317] [KO:K01402]
MMP13 [HSA:4322] [KO:K07994]
MMP9 [HSA:4318] [KO:K01403]
  Pathway
hsa04657  IL-17 signaling pathway
hsa04926  Relaxin signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Metallo peptidases
    MMP1
     D03517  Cipemastat (USAN/INN)
    MMP8
     D03517  Cipemastat (USAN/INN)
    MMP9
     D03517  Cipemastat (USAN/INN)
    MMP13
     D03517  Cipemastat (USAN/INN)
Other DBs
CAS: 190648-49-8
PubChem: 17397651
ChEMBL: CHEMBL115653
LigandBox: D03517
NIKKAJI: J846.779J
KCF data

ATOM        31
            1   C1x C    36.8208  -15.9074
            2   N1y N    36.8208  -17.2390
            3   C1x C    37.9739  -17.9048
            4   C1x C    39.1272  -17.2390
            5   C1x C    39.1272  -15.9074
            6   C1x C    37.9739  -15.2416
            7   C5a C    35.6676  -17.9048
            8   C1c C    34.5304  -17.2481
            9   O5a O    35.6675  -19.2362
            10  C1c C    33.4011  -17.9001
            11  C1b C    34.5303  -15.1753
            12  C5a C    32.2680  -17.2458
            13  N1b N    31.1367  -17.8989
            14  O5a O    32.2680  -15.9077
            15  O1b O    30.0047  -17.2452
            16  C1y C    35.7212  -14.4878
            17  C1x C    36.9832  -15.0499
            18  C1x C    37.9077  -14.0233
            19  C1x C    37.2172  -12.8268
            20  C1x C    35.8658  -13.1138
            21  C1b C    33.4011  -19.3200
            22  N1y N    32.1804  -20.0249
            23  C5x C    30.7804  -20.0249
            24  C1z C    30.3478  -21.3564
            25  N1y N    31.4804  -22.1793
            26  C5x C    32.6130  -21.3564
            27  O5x O    29.9621  -18.8984
            28  O5x O    33.9489  -21.7905
            29  C1a C    31.4803  -23.5899
            30  C1a C    29.1353  -20.6564
            31  C1a C    29.6478  -22.5688
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     7   8 1
            9     7   9 2
            10    8  10 1
            11    8  11 1 #Up
            12   10  12 1
            13   12  13 1
            14   12  14 2
            15   13  15 1
            16   11  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   16  20 1
            22   10  21 1 #Down
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   22  26 1
            29   23  27 2
            30   26  28 2
            31   25  29 1
            32   24  30 1
            33   24  31 1

» Japanese version   » Back

DBGET integrated database retrieval system