KEGG   DRUG: Ilomastat
Entry
D03793                      Drug                                   
Name
Ilomastat (USAN/INN)
Formula
C20H28N4O4
Exact mass
388.2111
Mol weight
388.4607
Structure
Efficacy
Antineoplastic, Matrix metalloproteinase inhibitor
Comment
Treatment of corneal ulcers, inflammatory conditions, and cancers
Target
MMP2 [HSA:4313] [KO:K01398]
MMP9 [HSA:4318] [KO:K01403]
  Pathway
hsa01522  Endocrine resistance
hsa04668  TNF signaling pathway
hsa04670  Leukocyte transendothelial migration
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Metallo peptidases
    MMP2
     D03793  Ilomastat (USAN/INN)
    MMP9
     D03793  Ilomastat (USAN/INN)
Other DBs
CAS: 142880-36-2
PubChem: 17397881
ChEBI: 137236
PDB-CCD: GM6[PDBj]
LigandBox: D03793
NIKKAJI: J601.478J
KCF data

ATOM        28
            1   C1b C    27.8141  -13.4671
            2   C5a C    26.6838  -12.8313
            3   N1b N    25.4830  -13.4671
            4   O5a O    26.6838  -11.4892
            5   O1b O    24.3527  -12.8313
            6   C1c C    29.0296  -12.7471
            7   C5a C    30.2555  -13.4367
            8   C1b C    29.0839  -11.2779
            9   C1c C    30.3002  -10.5573
            10  C1a C    31.5266  -11.2471
            11  C1a C    30.2842   -9.1587
            12  N1b N    31.4800  -12.7110
            13  O5a O    30.2712  -14.8798
            14  C1c C    32.7079  -13.4015
            15  C5a C    33.9108  -12.6884
            16  C1b C    32.7234  -15.0188
            17  C8y C    33.9813  -15.7265
            18  C8y C    34.4004  -17.0649
            19  C8y C    35.8096  -17.0770
            20  N4x N    36.2565  -15.7404
            21  C8x C    35.1235  -14.9023
            22  C8x C    33.6836  -18.2824
            23  C8x C    34.3795  -19.5119
            24  C8x C    35.7888  -19.5239
            25  C8x C    36.5055  -18.3065
            26  N1b N    35.1266  -13.3719
            27  O5a O    33.8946  -11.2772
            28  C1a C    36.3557  -12.6429
BOND        29
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 1
            5     1   6 1
            6     6   7 1
            7     6   8 1 #Up
            8     8   9 1
            9     9  10 1
            10    9  11 1
            11    7  12 1
            12    7  13 2
            13   12  14 1
            14   14  15 1
            15   14  16 1 #Down
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   17  21 2
            22   18  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   19  25 2
            27   15  26 1
            28   15  27 2
            29   26  28 1

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