KEGG   DRUG: Capivasertib
Entry
D11371                      Drug                                   

Name
Capivasertib (JAN/USAN)
Formula
C21H25ClN6O2
Exact mass
428.1728
Mol weight
428.9152
Structure
Efficacy
Antineoplastic, AKT serine/threonine kinase inhibitor
Target
AKT (PKB) [HSA:207 208 10000] [KO:K04456]
  Pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   AGC group
    AKT (PKB)
     D11371  Capivasertib (JAN/USAN)
Other DBs
CAS: 1143532-39-1
PubChem: 384585349
ChEMBL: CHEMBL2325741
PDB-CCD: 0XZ[PDBj]
LinkDB
KCF data

ATOM        30
            1   N1y N    18.4100  -16.8000
            2   C1x C    18.4100  -18.2000
            3   C1x C    19.6224  -18.9000
            4   C1z C    20.8349  -18.2000
            5   C1x C    20.8349  -16.8000
            6   C1x C    19.6224  -16.1000
            7   N1a N    20.8349  -19.6000
            8   C5a C    22.0473  -17.5000
            9   N1b N    23.2618  -18.2012
            10  O5a O    22.0473  -16.1000
            11  C1c C    24.4583  -17.5102
            12  C8y C    17.1976  -16.1000
            13  N5x N    17.1976  -14.7002
            14  C8x C    15.9851  -14.0002
            15  N4x N    14.7727  -14.7002
            16  C8y C    14.7727  -16.1000
            17  C8y C    15.9851  -16.8000
            18  N5x N    13.7323  -17.0368
            19  C8x C    14.3017  -18.3158
            20  C8x C    15.6940  -18.1694
            21  C8y C    25.6451  -18.1954
            22  C8x C    25.6452  -19.5998
            23  C8x C    26.8577  -20.2997
            24  C8y C    28.0701  -19.5996
            25  C8x C    28.0700  -18.1952
            26  C8x C    26.8575  -17.4953
            27  X   Cl   29.2827  -20.2995
            28  C1b C    24.4584  -16.1003
            29  C1b C    25.6495  -15.4124
            30  O1a O    26.8345  -16.0965
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     4   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12    1  12 1
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 2
            19   16  18 2
            20   18  19 1
            21   19  20 2
            22   17  20 1
            23   11  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   21  26 1
            30   24  27 1
            31   11  28 1 #Up
            32   28  29 1
            33   29  30 1

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