KEGG   DRUG: Fluciclatide F 18Help
Entry
D09903                      Drug                                   

Name
Fluciclatide F 18 (USAN/INN)
Formula
C75H115FN18O27S3
Exact mass
1813.7351
Mol weight
1816.0134
Structure
Mol fileKCF fileDB search
Efficacy
Diagnostic aid, Radioactive agent
Target
ITGAV-ITGB3/ITGB5 [HSA:3685 3690 3693] [KO:K06487 K06493 K06588]
  Pathway
hsa04512  ECM-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 Cell surface molecules and ligands
  Cell adhesion molecules: other families
   Integrins
    ITGAV-ITGB3/ITGB5
     D09903  Fluciclatide F 18 (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 879894-01-6
PubChem: 135626646
ChEMBL: CHEMBL3989518
LigandBox: D09903
LinkDB All DBs
KCF data Show

ATOM        124
            1   N1x N    25.9700  -21.3500
            2   C5x C    24.7800  -20.6500
            3   C5x C    22.2600  -24.9200
            4   C1y C    23.5200  -25.6200
            5   N1x N    23.5200  -27.0200
            6   C5x C    24.7800  -27.7200
            7   C1y C    30.8700  -25.6200
            8   N1x N    29.6100  -24.9200
            9   C1y C    24.7800  -29.1200
            10  N1x N    25.9700  -29.8200
            11  C5x C    27.2300  -29.1200
            12  C1x C    28.4200  -29.8200
            13  S2x S    29.6100  -29.1200
            14  O5x O    21.0700  -25.6200
            15  O5x O    25.9700  -27.0200
            16  C1b C    23.5200  -29.8200
            17  O5x O    27.2300  -27.7200
            18  N1x N    31.9900  -27.7200
            19  C1y C    31.9900  -29.1200
            20  C1x C    30.8000  -29.8200
            21  C5a C    33.1800  -29.8200
            22  N1b N    34.3700  -29.1200
            23  C1b C    35.5600  -29.8200
            24  C5x C    30.8700  -27.0200
            25  O5x O    29.6800  -27.7200
            26  C1b C    32.0600  -24.9200
            27  C8y C    32.0600  -23.4500
            28  C8x C    33.2500  -22.7500
            29  C8x C    33.2500  -21.3500
            30  C8x C    32.0600  -20.6500
            31  C8x C    30.8700  -21.3500
            32  C8x C    30.8700  -22.7500
            33  N1x N    22.2600  -23.4500
            34  C1y C    21.0700  -22.7500
            35  C5x C    21.0700  -21.3500
            36  N1x N    22.2600  -20.6500
            37  C1x C    23.4500  -21.3500
            38  C1b C    19.8800  -23.4500
            39  C1b C    18.6900  -22.7500
            40  C1b C    17.5000  -23.4500
            41  N1b N    16.3100  -22.7500
            42  O5x O    19.8800  -20.6500
            43  C1x C    24.7800  -24.9200
            44  S3x S    24.7800  -23.4500
            45  O5x O    24.7800  -19.2500
            46  C1y C    27.1600  -20.6500
            47  C5x C    28.3500  -21.3500
            48  N1x N    28.3500  -22.7500
            49  C1b C    27.1600  -19.2500
            50  C6a C    28.3500  -18.5500
            51  O6a O    29.5400  -19.2500
            52  O6a O    28.3500  -17.1500
            53  O5x O    29.5400  -20.6500
            54  C2c C    15.0500  -23.4500
            55  N1a N    13.8600  -22.7500
            56  N2a N    15.1200  -24.9200
            57  C1b C    22.2600  -29.1200
            58  C1b C    21.1400  -29.8200
            59  C1b C    19.8800  -29.1900
            60  N1b N    18.6900  -29.8200
            61  C5a C    18.6900  -31.2200
            62  O5a O    17.5000  -31.9200
            63  C1b C    19.9500  -31.9900
            64  O2a O    21.1400  -31.2900
            65  C1b C    22.3300  -31.9200
            66  C5a C    22.3300  -33.3200
            67  N1b N    23.5200  -34.0200
            68  O5a O    21.1400  -34.0900
            69  C1b C    24.7800  -33.3200
            70  C1b C    25.9700  -34.0200
            71  O2a O    27.1600  -33.3900
            72  C1b C    28.4200  -34.0200
            73  C1b C    29.6100  -33.3900
            74  O2a O    30.8000  -34.0200
            75  C1b C    31.9900  -33.3200
            76  C1b C    33.1800  -34.0200
            77  O2a O    34.4400  -33.3200
            78  C1b C    35.6300  -34.0200
            79  C1b C    35.6300  -35.4900
            80  O2a O    34.4400  -36.1200
            81  C1b C    33.2500  -35.4900
            82  C1b C    32.0600  -36.1200
            83  O2a O    30.8700  -35.4900
            84  C1b C    29.6800  -36.1200
            85  C1b C    28.4900  -35.4900
            86  N1b N    27.3000  -36.1200
            87  C5a C    27.3000  -37.5900
            88  O5a O    26.1100  -38.2200
            89  C1b C    28.4900  -38.2900
            90  O2a O    29.7500  -37.5900
            91  N2b N    30.9400  -38.2900
            92  C2b C    32.1300  -37.5900
            93  C8y C    33.3200  -38.2900
            94  C8x C    34.5100  -37.5900
            95  C8x C    33.3200  -39.6900
            96  C8x C    34.5100  -40.4600
            97  C8y C    35.7000  -39.6900
            98  C8x C    35.7000  -38.2900
            99  X   F    37.1700  -40.7400
            100 O5a O    33.1800  -31.2200
            101 C1b C    36.8200  -29.1200
            102 O2a O    38.0100  -29.8200
            103 C1b C    39.2000  -29.1900
            104 C1b C    40.4600  -29.8200
            105 O2a O    41.6500  -29.1900
            106 C1b C    41.6500  -27.7900
            107 C1b C    40.4600  -27.0900
            108 O2a O    39.2000  -27.7900
            109 C1b C    37.9400  -27.0900
            110 C1b C    36.7500  -27.7900
            111 N1b N    35.5600  -27.0900
            112 C5a C    35.5600  -25.6900
            113 C1b C    36.8200  -24.9900
            114 O5a O    34.3700  -24.9900
            115 O2a O    38.0100  -25.6900
            116 C1b C    39.2000  -24.9900
            117 C5a C    39.2000  -23.5200
            118 O5a O    40.4600  -22.8200
            119 N1a N    37.9400  -22.8200
            120 C1y C    27.1600  -23.4500
            121 C5x C    28.2100  -24.9200
            122 O5x O    27.0200  -25.6200
            123 C1x C    25.9700  -22.7500
            124 S3x S    25.9700  -24.1500
BOND        127
            1     1   2 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     7   8 1
            6     6   9 1
            7     9  10 1
            8    10  11 1
            9    11  12 1
            10   12  13 1
            11    3  14 2
            12    6  15 2
            13    9  16 1 #Up
            14   11  17 2
            15   18  19 1
            16   19  20 1
            17   20  13 1
            18   19  21 1 #Down
            19   21  22 1
            20   22  23 1
            21    7  24 1
            22   24  18 1
            23   24  25 2
            24    7  26 1 #Up
            25   26  27 1
            26   27  28 2
            27   28  29 1
            28   29  30 2
            29   30  31 1
            30   31  32 2
            31   27  32 1
            32    3  33 1
            33   33  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37   2 1
            38   34  38 1 #Up
            39   38  39 1
            40   39  40 1
            41   40  41 1
            42   35  42 2
            43    4  43 1 #Down
            44   43  44 1
            45    2  45 2
            46    1  46 1
            47   46  47 1
            48   47  48 1
            49   46  49 1 #Up
            50   49  50 1
            51   50  51 1
            52   50  52 2
            53   47  53 2
            54   41  54 1
            55   54  55 1
            56   54  56 2
            57   16  57 1
            58   57  58 1
            59   58  59 1
            60   59  60 1
            61   60  61 1
            62   61  62 2
            63   61  63 1
            64   63  64 1
            65   64  65 1
            66   65  66 1
            67   66  67 1
            68   66  68 2
            69   67  69 1
            70   69  70 1
            71   70  71 1
            72   71  72 1
            73   72  73 1
            74   73  74 1
            75   74  75 1
            76   75  76 1
            77   76  77 1
            78   77  78 1
            79   78  79 1
            80   79  80 1
            81   80  81 1
            82   81  82 1
            83   82  83 1
            84   83  84 1
            85   84  85 1
            86   85  86 1
            87   86  87 1
            88   87  88 2
            89   87  89 1
            90   89  90 1
            91   90  91 1
            92   91  92 2
            93   92  93 1
            94   93  94 1
            95   93  95 2
            96   95  96 1
            97   96  97 2
            98   97  98 1
            99   98  94 2
            100  97  99 1
            101  21 100 2
            102  23 101 1
            103 101 102 1
            104 102 103 1
            105 103 104 1
            106 104 105 1
            107 105 106 1
            108 106 107 1
            109 107 108 1
            110 108 109 1
            111 109 110 1
            112 110 111 1
            113 111 112 1
            114 112 113 1
            115 112 114 2
            116 113 115 1
            117 115 116 1
            118 116 117 1
            119 117 118 2
            120 117 119 1
            121  48 120 1
            122   8 121 1
            123 121 120 1
            124 121 122 2
            125 120 123 1 #Down
            126 123 124 1
            127 124  44 1

» Japanese version   » Back

DBGET integrated database retrieval system