KEGG   DRUG: Bortezomib hydrate
Entry
D12311                      Drug                                   
Name
Bortezomib hydrate (JAN)
Product
  Generic
Formula
C19H25BN4O4. H2O
Exact mass
402.2075
Mol weight
402.25
Structure
Class
Antineoplastic
 DG03134  Proteasome inhibitor
Remark
Therapeutic category: 4291
ATC code: L01XG01
Chemical structure group: DG03219
Product (DG03219): D03150<JP/US> D12311<JP/US>
Efficacy
Antineoplastic, Proteasome inhibitor
Target
PSMB5 [HSA:5693] [KO:K02737]
  Pathway
hsa03050  Proteasome
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XG Proteasome inhibitors
     L01XG01 Bortezomib
      D12311  Bortezomib hydrate (JAN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D12311  Bortezomib hydrate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG03134  Proteasome inhibitor
   DG03219  Bortezomib
    D12311  Bortezomib hydrate
Target-based classification of drugs [BR:br08310]
 Peptidases and inhibitors
  Threonine peptidases
   Proteasome family
    PSMB5
     D12311  Bortezomib hydrate (JAN) <JP/US>
Drug groups [BR:br08330]
 Antineoplastic
  DG03134  Proteasome inhibitor
   DG03219  Bortezomib
Other DBs
CAS: 1610526-91-4
PubChem: 497620724
LinkDB
KCF data

ATOM        29
            1   N1b N    16.8849  -17.2360
            2   C1c C    18.0776  -16.6046
            3   C8x C    12.0440  -17.2360
            4   C8x C    12.0440  -18.6392
            5   N5x N    13.2367  -19.3408
            6   C8x C    14.4995  -18.6392
            7   C8y C    14.4995  -17.2360
            8   N5x N    13.2367  -16.6046
            9   C5a C    15.6922  -16.6046
            10  O5a O    15.6922  -15.2014
            11  C5a C    19.2703  -17.3062
            12  N1b N    20.4630  -16.6046
            13  C1c C    21.6557  -17.3062
            14  C1b C    22.8484  -16.6046
            15  C1c C    24.0411  -17.3062
            16  C1a C    25.2338  -16.6046
            17  C1a C    24.0411  -18.6392
            18  O5a O    19.2703  -18.6392
            19  C1b C    18.0776  -15.2014
            20  C8y C    19.3405  -14.4999
            21  C8x C    20.4630  -15.2014
            22  C8x C    21.7259  -14.4999
            23  C8x C    21.7259  -13.0967
            24  C8x C    20.5332  -12.4652
            25  C8x C    19.3405  -13.0967
            26  Z   B    21.6557  -19.2005
            27  O1a O    20.4630  -19.9021
            28  O1a O    22.8484  -19.9021
            29  O0  O    28.4200  -18.6900
BOND        29
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     8   3 1
            7     7   9 1
            8     9   1 1
            9     2   1 1
            10    9  10 2
            11    2  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   15  17 1
            18   11  18 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   24  25 2
            25   20  25 1
            26    2  19 1 #Up
            27   26  27 1
            28   26  28 1
            29   13  26 1 #Up

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