KEGG   DRUG: Alvocidib hydrochlorideHelp
Entry
D02880                      Drug                                   

Name
Alvocidib hydrochloride (USAN)
Formula
C21H20ClNO5. HCl
Exact mass
437.0797
Mol weight
438.3011
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG02041
Efficacy
Antineoplastic, Cyclin-dependent kinase (CDK) inhibitor
Target
CDK1 [HSA:983] [KO:K02087]
CDK2 [HSA:1017] [KO:K02206]
CDK4 [HSA:1019] [KO:K02089]
CDK6 [HSA:1021] [KO:K02091]
CDK7 [HSA:1022] [KO:K02202]
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Serine/threonine kinases
   CMGC group
    CDK1
     D02880  Alvocidib hydrochloride (USAN)
    CDK2
     D02880  Alvocidib hydrochloride (USAN)
    CDK4
     D02880  Alvocidib hydrochloride (USAN)
    CDK6
     D02880  Alvocidib hydrochloride (USAN)
    CDK7
     D02880  Alvocidib hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 131740-09-5
PubChem: 17397037
ChEBI: 90998
ChEMBL: CHEMBL2105698
LigandBox: D02880
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1y C    19.1053  -25.1000
            2   C1x C    20.3329  -24.3910
            3   C1x C    20.3327  -22.9927
            4   N1y N    19.1218  -22.2937
            5   C1x C    17.8941  -23.0027
            6   C1y C    17.8943  -24.4010
            7   C1a C    19.1217  -20.9050
            8   C8y C    20.3162  -27.1969
            9   C8y C    20.3162  -28.5952
            10  C8y C    21.5271  -29.2942
            11  C8x C    22.7380  -28.5952
            12  C8y C    22.7380  -27.1969
            13  O2x O    21.5271  -26.4978
            14  C8y C    23.9675  -26.4868
            15  C8x C    25.1712  -27.1815
            16  C8x C    26.3820  -26.4823
            17  C8x C    26.3820  -25.0841
            18  C8x C    25.1784  -24.3893
            19  C8y C    23.9674  -25.0885
            20  C8y C    19.1053  -26.4978
            21  C8y C    17.8943  -27.1969
            22  C8x C    17.8943  -28.5952
            23  C8y C    19.1053  -29.2942
            24  X   Cl   22.7495  -24.3853
            25  O1a O    16.6647  -26.4868
            26  O1a O    19.1053  -30.6923
            27  O5x O    21.5271  -30.6925
            28  O1a O    16.6892  -25.0972
            29  X   Cl   29.8941  -26.9872
BOND        31
            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     8   9 2
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13    8  13 1
            14   12  14 1
            15   14  15 2
            16   15  16 1
            17   16  17 2
            18   17  18 1
            19   18  19 2
            20   14  19 1
            21    8  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25    9  23 1
            26   19  24 1
            27   21  25 1
            28   23  26 1
            29   10  27 2
            30    1  20 1 #Down
            31    6  28 1 #Down

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