KEGG   DRUG: Bemcentinib
Entry
D11438                      Drug                                   
Name
Bemcentinib (USAN/INN)
Formula
C30H34N8
Exact mass
506.2906
Mol weight
506.64
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Target
AXL [HSA:558] [KO:K05115]
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    D11438  Bemcentinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   AXL family
    AXL
     D11438  Bemcentinib (USAN/INN)
Other DBs
CAS: 1037624-75-1
PubChem: 384585415
PDB-CCD: Q8U[PDBj]
LinkDB
KCF data

ATOM        38
            1   C8y C    12.0400  -11.9700
            2   C8x C    12.0400  -13.3700
            3   C8x C    13.2300  -14.0700
            4   C8y C    14.4900  -13.3700
            5   C8x C    14.4900  -11.9700
            6   C8y C    13.2300  -11.2700
            7   C1x C    10.3600  -10.0100
            8   C1y C    11.2700   -8.8900
            9   C1x C    12.6700   -8.8900
            10  C1x C    13.5100   -9.9400
            11  C1x C    10.7100  -11.4100
            12  N1b N    15.6800  -14.0700
            13  C8y C    16.9400  -13.3700
            14  N5x N    18.0600  -14.2100
            15  N4y N    19.1800  -13.4400
            16  C8y C    18.7600  -12.0400
            17  N5x N    17.3600  -12.0400
            18  C8y C    20.3700  -14.1400
            19  N5x N    20.3700  -15.5400
            20  N5x N    21.6300  -16.2400
            21  C8y C    22.8200  -15.5400
            22  C8y C    22.8200  -14.1400
            23  C8x C    21.6300  -13.4400
            24  C1x C    23.9400  -13.2300
            25  C1x C    25.2700  -13.5800
            26  C1x C    25.9000  -14.8400
            27  C8y C    25.2700  -16.1000
            28  C8y C    23.9400  -16.3800
            29  C8x C    23.5048  -17.7106
            30  C8x C    24.4395  -18.7529
            31  C8x C    25.7695  -18.4729
            32  C8x C    26.2048  -17.1422
            33  N1a N    19.5957  -10.9168
            34  N1y N    10.6683   -7.6259
            35  C1x C    11.3288   -6.4112
            36  C1x C    10.3777   -5.4076
            37  C1x C     9.1293   -6.0021
            38  C1x C     9.3089   -7.3731
BOND        44
            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     9  10 1
            8     7  11 1
            9     8   9 1
            10   11   1 1
            11    7   8 1
            12   10   6 1
            13    4  12 1
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   13  17 1
            20   15  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   18  23 1
            27   25  26 1
            28   26  27 1
            29   24  25 1
            30   21  28 1
            31   22  24 1
            32   27  28 1
            33   28  29 2
            34   29  30 1
            35   30  31 2
            36   31  32 1
            37   27  32 2
            38   16  33 1
            39    8  34 1 #Down
            40   34  35 1
            41   35  36 1
            42   36  37 1
            43   37  38 1
            44   34  38 1

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