KEGG   DRUG: Marizomib
Entry
D09640                      Drug                                   
Name
Marizomib (USAN/INN)
Formula
C15H20ClNO4
Exact mass
313.1081
Mol weight
313.7766
Structure
Source
Salinispora tropica [TAX:168695]
Class
Antineoplastic
 DG03134  Proteasome inhibitor
Efficacy
Antineoplastic, Proteasome inhibitor
Target
PSMB1 [HSA:5689] [KO:K02732]
PSMB2 [HSA:5690] [KO:K02734]
PSMB5 [HSA:5693] [KO:K02737]
  Pathway
hsa03050  Proteasome
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG03134  Proteasome inhibitor
   D09640  Marizomib
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases (EC3)
   Threonine peptidases
    PSMB1
     D09640  Marizomib (USAN/INN)
    PSMB2
     D09640  Marizomib (USAN/INN)
    PSMB5
     D09640  Marizomib (USAN/INN)
Other DBs
CAS: 437742-34-2
PubChem: 124490380
ChEBI: 48045
LigandBox: D09640
KCF data

ATOM        21
            1   C1z C    23.0383  -25.6315
            2   C1z C    23.0383  -27.0321
            3   C1y C    24.3689  -27.4523
            4   C5x C    25.2093  -26.3318
            5   N1x N    24.3689  -25.2113
            6   C7x C    21.6377  -25.6315
            7   O7x O    21.6377  -27.0321
            8   C1c C    23.0383  -24.2308
            9   C1y C    24.2289  -23.5305
            10  C2x C    25.4194  -24.2308
            11  C2x C    26.6800  -23.5305
            12  C1x C    26.6800  -22.1299
            13  C1x C    25.4894  -21.4296
            14  C1x C    24.2289  -22.1299
            15  O6a O    20.6572  -24.6510
            16  C1a C    23.0383  -28.4327
            17  O5x O    26.6099  -26.3318
            18  C1b C    24.7971  -28.7859
            19  C1b C    26.1578  -29.0800
            20  X   Cl   26.5843  -30.4069
            21  O1a O    21.8225  -23.5354
BOND        23
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1 #Down
            6     1   6 1
            7     6   7 1
            8     2   7 1
            9     1   8 1
            10    8   9 1
            11    9  10 1
            12   10  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17    6  15 2
            18    2  16 1 #Up
            19    4  17 2
            20    3  18 1 #Down
            21   18  19 1
            22   19  20 1
            23    8  21 1 #Up

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