KEGG   DRUG: Belotecan hydrochlorideHelp
Entry
D03225                      Drug                                   

Name
Belotecan hydrochloride (USAN)
Formula
C25H27N3O4. HCl
Exact mass
469.1768
Mol weight
469.9605
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01529  Topoisomerase inhibitor
  DG01526  Topoisomerase I inhibitor
Efficacy
Antineoplastic, Topoisomerase I inhibitor
Comment
Camptothecine derivative
Target
TOP1 [HSA:7150] [KO:K03163]
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP1
     D03225  Belotecan hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 213819-48-8
PubChem: 17397378
ChEMBL: CHEMBL2107315
LigandBox: D03225
LinkDB All DBs
KCF data Show

ATOM        33
            1   C8x C    19.6901  -18.4227
            2   C8x C    19.6901  -19.8238
            3   C8x C    20.9035  -20.5243
            4   C8y C    22.1169  -19.8238
            5   C8y C    22.1169  -18.4227
            6   C8x C    20.9035  -17.7221
            7   N5x N    23.3302  -20.5243
            8   C8y C    24.5435  -19.8238
            9   C8y C    24.5435  -18.4227
            10  C8y C    23.3302  -17.7221
            11  C8y C    25.8760  -20.2567
            12  N4y N    26.6996  -19.1232
            13  C1x C    25.8760  -17.9898
            14  C1b C    23.3302  -16.3211
            15  C8y C    28.0996  -19.1232
            16  C8y C    28.7861  -20.3130
            17  C1x C    30.1699  -20.3132
            18  C8y C    28.0875  -21.5224
            19  C8x C    26.6704  -21.5224
            20  O5x O    28.7978  -17.9140
            21  O7x O    30.8641  -21.5158
            22  C7x C    30.1764  -22.7061
            23  C1z C    28.7702  -22.7059
            24  O6a O    30.8634  -23.8963
            25  C1b C    27.3702  -22.7053
            26  C1a C    26.6805  -23.8985
            27  O1a O    28.7702  -24.1059
            28  C1b C    24.5321  -15.6270
            29  N1b N    25.7132  -16.3087
            30  C1c C    26.9075  -15.6188
            31  C1a C    28.0956  -16.3046
            32  C1a C    26.9074  -14.2103
            33  X   Cl   33.9500  -21.5600
BOND        36
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 1
            20   16  18 2
            21   18  19 1
            22   19  11 2
            23   15  20 2
            24   17  21 1
            25   21  22 1
            26   22  23 1
            27   23  18 1
            28   22  24 2
            29   23  25 1 #Down
            30   25  26 1
            31   23  27 1 #Up
            32   14  28 1
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   30  32 1

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