KEGG   DRUG: D09320Help
Entry
D09320                      Drug                                   

Name
Aderbasib (USAN/INN)
Formula
C21H28N4O5
Exact mass
416.206
Mol weight
416.4708
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic;
ErbB sheddase (ADAM) inhibitor
Comment
ADMA (A Disintegrin And Metalloproteinase) inhibitor
Target
ADAM10 inhibitor [HSA:102] [KO:K06704];
ADAM17 inhibitor [HSA:6868] [KO:K06059]
  Pathway
hsa04330  Notch signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   ADAM10 (CD156c)
    Aderbasib
     D09320  Aderbasib (USAN/INN)
   ADAM17 (CD156B)
    Aderbasib
     D09320  Aderbasib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
791828-58-5
PubChem: 
LigandBox: 
KCF data Show

ATOM        30
            1   C8y C    28.3500  -21.3500
            2   C8x C    28.3500  -22.7500
            3   C8x C    29.5400  -23.4500
            4   C8x C    30.8000  -22.7500
            5   C8x C    30.8000  -21.3500
            6   C8x C    29.5400  -20.6500
            7   N1y N    27.1600  -20.6500
            8   C1x C    27.1600  -19.2500
            9   C1x C    25.9000  -18.5500
            10  N1y N    24.7100  -19.2500
            11  C1x C    24.7100  -20.6500
            12  C1x C    25.9000  -21.3500
            13  C5a C    23.5200  -18.5500
            14  C1y C    21.7000  -19.7400
            15  O5a O    23.5200  -17.1500
            16  N1y N    20.5100  -19.0400
            17  C1x C    19.2500  -19.7400
            18  C1z C    19.2500  -21.1400
            19  C1x C    20.4400  -21.8400
            20  C1y C    21.7000  -21.1400
            21  C7a C    20.5100  -17.6400
            22  O7a O    19.3200  -16.9400
            23  O6a O    21.7000  -16.9400
            24  C1a C    18.1300  -17.6400
            25  C1x C    18.4800  -22.4000
            26  C1x C    17.8500  -21.1400
            27  C5a C    22.9066  -21.8500
            28  N1b N    24.1163  -21.1647
            29  O1b O    25.3366  -21.8830
            30  O5a O    22.8951  -23.2400
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15   14  13 1 #Down
            16   13  15 2
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   14  20 1
            23   16  21 1
            24   21  22 1
            25   21  23 2
            26   22  24 1
            27   25  18 1
            28   18  26 1
            29   26  25 1
            30   20  27 1 #Up
            31   27  28 1
            32   28  29 1
            33   27  30 2

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