KEGG   DRUG: TanomastatHelp
Entry
D03802                      Drug                                   

Name
Tanomastat (USAN/INN)
Formula
C23H19ClO3S
Exact mass
410.0743
Mol weight
410.9132
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic, Matrix metalloproteinase inhibitor
Comment
Treatment of osteoarthritis and in oncology
Target
MMP1 [HSA:4312] [KO:K01388]
MMP2 [HSA:4313] [KO:K01398]
MMP9 [HSA:4318] [KO:K01403]
  Pathway
hsa01522  Endocrine resistance
hsa04670  Leukocyte transendothelial migration
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Metallo peptidases
    MMP1
     D03802  Tanomastat (USAN/INN)
    MMP2
     D03802  Tanomastat (USAN/INN)
    MMP9
     D03802  Tanomastat (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 179545-77-8
PubChem: 17397890
ChEMBL: CHEMBL261932
LigandBox: D03802
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8x C    19.4600  -17.3600
            2   C8x C    19.4600  -18.7600
            3   C8x C    20.6724  -19.4600
            4   C8y C    21.8849  -18.7600
            5   C8x C    21.8849  -17.3600
            6   C8x C    20.6724  -16.6600
            7   S2a S    23.1160  -19.4710
            8   C1b C    24.3212  -18.7753
            9   C1c C    25.5035  -19.4581
            10  C1b C    26.6975  -18.7688
            11  C6a C    25.5035  -20.8598
            12  O6a O    24.2735  -21.5701
            13  O6a O    26.6983  -21.5498
            14  C5a C    27.8854  -19.4548
            15  C8y C    29.0765  -18.7671
            16  O5a O    27.8855  -20.8598
            17  C8x C    30.2659  -19.4539
            18  C8x C    31.4784  -18.7540
            19  C8y C    31.4785  -17.3540
            20  C8x C    30.2891  -16.6672
            21  C8x C    29.0766  -17.3671
            22  C8y C    32.7044  -16.6462
            23  C8x C    33.9119  -17.3434
            24  C8x C    35.1243  -16.6434
            25  C8y C    35.1243  -15.2434
            26  C8x C    33.9168  -14.5462
            27  C8x C    32.7044  -15.2462
            28  X   Cl   36.3411  -14.5408
BOND        30
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    9  11 1 #Up
            12   11  12 1
            13   11  13 2
            14   10  14 1
            15   14  15 1
            16   14  16 2
            17   15  17 2
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   15  21 1
            23   19  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   22  27 1
            30   25  28 1

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