KEGG   DRUG: Rebimastat
Entry
D03800                      Drug                                   
Name
Rebimastat (USAN/INN)
Formula
C23H41N5O5S
Exact mass
499.2828
Mol weight
499.67
Structure
Simcomp
Efficacy
Antineoplastic, Matrix metalloproteinase inhibitor
Target
MMP1 [HSA:4312] [KO:K01388]
MMP2 [HSA:4313] [KO:K01398]
MMP8 [HSA:4317] [KO:K01402]
MMP9 [HSA:4318] [KO:K01403]
MMP14 [HSA:4323] [KO:K07763]
  Pathway
hsa04657  IL-17 signaling pathway
hsa04668  TNF signaling pathway
hsa04670  Leukocyte transendothelial migration
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Metallo peptidases
   Family M10
    MMP1
     D03800  Rebimastat (USAN/INN)
    MMP2
     D03800  Rebimastat (USAN/INN)
    MMP8
     D03800  Rebimastat (USAN/INN)
    MMP9
     D03800  Rebimastat (USAN/INN)
    MMP14
     D03800  Rebimastat (USAN/INN)
Other DBs
CAS: 259188-38-0
PubChem: 17397888
LigandBox: D03800
NIKKAJI: J2.199.981D
LinkDB
KCF data

ATOM        34
            1   N1y N    26.4656  -16.8538
            2   C1b C    27.7103  -17.5453
            3   C1b C    28.8858  -16.8538
            4   C1c C    30.0614  -17.5453
            5   C5a C    31.3061  -16.8538
            6   N1b N    32.4816  -17.5453
            7   C1c C    33.6572  -16.8538
            8   C5a C    34.9019  -17.5453
            9   N1b N    36.0774  -16.8538
            10  C1c C    37.2530  -17.5453
            11  C5a C    38.4976  -16.8538
            12  N1b N    39.6732  -17.5453
            13  C1a C    40.8487  -16.8538
            14  O5a O    38.4976  -15.4708
            15  C1d C    37.2530  -19.5506
            16  C1a C    35.8700  -19.5506
            17  C1a C    38.6359  -19.5506
            18  C1a C    37.2530  -20.9336
            19  O5a O    34.9019  -18.9283
            20  C1b C    33.6572  -15.4708
            21  C1c C    34.8327  -14.7793
            22  C1a C    36.0083  -15.4708
            23  C1a C    34.8327  -13.3963
            24  O5a O    31.3061  -15.4708
            25  S1a S    30.0614  -18.9283
            26  C5x C    26.4703  -15.4646
            27  N1y N    25.1914  -15.0558
            28  C1z C    24.3839  -16.1549
            29  C5x C    25.1727  -17.2782
            30  O5x O    27.5936  -14.6758
            31  O5x O    24.7569  -18.6259
            32  C1a C    24.7676  -13.7613
            33  C1a C    23.4505  -15.0864
            34  C1a C    23.2536  -17.0125
BOND        34
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   11  14 2
            14   10  15 1 #Down
            15   15  16 1
            16   15  17 1
            17   15  18 1
            18    8  19 2
            19    7  20 1 #Up
            20   20  21 1
            21   21  22 1
            22   21  23 1
            23    5  24 2
            24    4  25 1 #Up
            25    1  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29    1  29 1
            30   26  30 2
            31   29  31 2
            32   27  32 1
            33   28  33 1
            34   28  34 1

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