KEGG   DRUG: Marimastat
Entry
D03795                      Drug                                   
Name
Marimastat (USAN/INN)
Formula
C15H29N3O5
Exact mass
331.2107
Mol weight
331.4079
Structure
Efficacy
Antineoplastic, Matrix metalloproteinase inhibitor
Target
MMP1 [HSA:4312] [KO:K01388]
MMP2 [HSA:4313] [KO:K01398]
MMP9 [HSA:4318] [KO:K01403]
MMP7 [HSA:4316] [KO:K01397]
MMP3 [HSA:4314] [KO:K01394]
MMP12 [HSA:4321] [KO:K01413]
  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
    MMP1
     D03795  Marimastat (USAN/INN)
    MMP2
     D03795  Marimastat (USAN/INN)
    MMP3
     D03795  Marimastat (USAN/INN)
    MMP7
     D03795  Marimastat (USAN/INN)
    MMP9
     D03795  Marimastat (USAN/INN)
    MMP12
     D03795  Marimastat (USAN/INN)
Other DBs
CAS: 154039-60-8
PubChem: 17397883
ChEBI: 50662
PDB-CCD: 097[PDBj]
LigandBox: D03795
NIKKAJI: J930.059G
KCF data

ATOM        23
            1   C1c C    31.5000  -17.6400
            2   C5a C    30.3800  -17.0100
            3   N1b N    29.1900  -17.6400
            4   O5a O    30.3800  -15.6800
            5   O1b O    28.0700  -17.0100
            6   C1c C    32.7600  -16.9400
            7   C5a C    33.9500  -17.6400
            8   C1b C    32.6900  -15.5400
            9   C1c C    33.9500  -14.8400
            10  C1a C    35.1400  -15.5400
            11  C1a C    33.9500  -13.4400
            12  N1b N    35.2100  -16.9400
            13  O5a O    33.9500  -19.1100
            14  C1c C    36.4000  -17.5700
            15  C5a C    37.5900  -16.8700
            16  N1b N    38.8500  -17.5700
            17  O5a O    37.5900  -15.4700
            18  C1a C    40.0400  -16.8700
            19  O1a O    31.4963  -19.0400
            20  C1d C    36.4000  -19.5300
            21  C1a C    37.8000  -19.5300
            22  C1a C    35.0000  -19.5300
            23  C1a C    36.4000  -20.9300
BOND        22
            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   15  16 1
            16   15  17 2
            17   16  18 1
            18    1  19 1 #Down
            19   14  20 1 #Down
            20   20  21 1
            21   20  22 1
            22   20  23 1

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  All links  
Ontology (1)   
   KEGG BRITE (1)   
Drug (1)   
   LigandBox (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
Gene (12)   
   KEGG ORTHOLOGY (6)   
   KEGG GENES (6)   
All databases (19)   

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