KEGG   DRUG: LonafarnibHelp
Entry
D04768                      Drug                                   

Name
Lonafarnib (USAN/INN)
Formula
C27H31Br2ClN4O2
Exact mass
636.0502
Mol weight
638.8216
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic
Target
FNT [HSA:2339 2342] [KO:K05955 K05954]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FNT
     D04768  Lonafarnib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 193275-84-2
PubChem: 47206583
ChEBI: 47097
ChEMBL: CHEMBL298734
PDB-CCD: 336[PDBj]
LigandBox: D04768
LinkDB All DBs
KCF data Show

ATOM        36
            1   C8y C    24.3239  -18.0535
            2   C1y C    25.5741  -17.4325
            3   C8y C    26.8469  -18.0167
            4   C8y C    27.1796  -19.3666
            5   C8y C    24.0355  -19.4327
            6   C1x C    26.3320  -20.4840
            7   C1x C    24.9308  -20.5095
            8   C8y C    23.2803  -17.1202
            9   C8x C    21.9503  -17.5573
            10  C8y C    21.6620  -18.9365
            11  C8x C    22.7055  -19.8698
            12  C8x C    28.5243  -19.7562
            13  C8y C    29.5340  -18.7864
            14  C8x C    29.2014  -17.4365
            15  N5x N    27.8567  -17.0470
            16  X   Br   23.5625  -15.7730
            17  X   Cl   20.2931  -19.3857
            18  X   Br   30.8769  -19.1754
            19  C1y C    25.5526  -15.6100
            20  C1x C    26.7523  -14.8926
            21  C1x C    26.7308  -13.4928
            22  N1y N    25.5078  -12.8115
            23  C1x C    24.3081  -13.5288
            24  C1x C    24.2596  -14.9287
            25  C5a C    25.4863  -11.4100
            26  O5a O    24.2585  -10.7259
            27  C1b C    26.6833  -10.6943
            28  C1y C    27.9026  -11.3738
            29  C1x C    27.9242  -12.7400
            30  C1x C    29.1475  -13.4208
            31  N1y N    30.2787  -12.7018
            32  C1x C    30.3272  -11.3356
            33  C1x C    29.1039  -10.6548
            34  C5a C    31.5027  -13.4031
            35  N1a N    32.7251  -12.6923
            36  O5a O    31.5070  -14.7700
BOND        40
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     1   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    5  11 2
            13    4  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    3  15 2
            18    8  16 1
            19   10  17 1
            20   13  18 1
            21    2  19 1 #Up
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   19  24 1
            28   22  25 1
            29   25  26 2
            30   25  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   28  33 1
            38   31  34 1
            39   34  35 1
            40   34  36 2

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