KEGG   DRUG: PepstatinHelp
Entry
D03818                      Drug                                   

Name
Pepstatin (USAN/INN)
Formula
C34H63N5O9
Exact mass
685.4626
Mol weight
685.8921
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C00773
Efficacy
Antineoplastic, Pepsin inhibitor
Target
aspartic protease
Other DBs
CAS: 26305-03-3
PubChem: 17397905
ChEBI: 7989
ChEMBL: CHEMBL296588
LigandBox: D03818
NIKKAJI: J17.063A
LinkDB All DBs
KCF data Show

ATOM        48
            1   C1a C    19.5741  -19.1623
            2   C1c C    20.7808  -18.4656
            3   C1b C    21.9876  -19.1623
            4   C5a C    23.1942  -18.4656
            5   N1b N    24.4009  -19.1623
            6   C1c C    25.6077  -18.4656
            7   C5a C    26.8144  -19.1623
            8   N1b N    28.0211  -18.4656
            9   C1c C    29.2279  -19.1623
            10  C5a C    30.4346  -18.4656
            11  N1b N    31.6414  -19.1623
            12  C1c C    32.8481  -18.4656
            13  C1c C    34.0548  -19.1623
            14  C1b C    35.2615  -18.4656
            15  C5a C    36.4682  -19.1623
            16  N1b N    37.6749  -18.4656
            17  C1c C    38.8817  -19.1623
            18  C5a C    40.0884  -18.4656
            19  N1b N    41.2951  -19.1623
            20  C1c C    42.5019  -18.4656
            21  C1c C    43.7086  -19.1623
            22  C1b C    44.9153  -18.4656
            23  C6a C    46.1221  -19.1623
            24  O6a O    47.3287  -18.4656
            25  C1a C    20.7808  -17.0724
            26  O5a O    23.1942  -17.0722
            27  C1c C    25.6077  -17.0725
            28  C1a C    26.8351  -16.3636
            29  C1a C    24.4217  -16.3876
            30  O5a O    26.8144  -20.5557
            31  C1c C    29.2279  -20.5554
            32  C1a C    30.4573  -21.2656
            33  C1a C    28.0439  -21.2391
            34  O5a O    30.4346  -17.0722
            35  C1a C    44.9153  -17.0723
            36  O1a O    33.9152  -20.5796
            37  O5a O    36.4682  -20.5800
            38  C1b C    32.8479  -17.0801
            39  C1c C    34.0468  -16.3876
            40  C1a C    35.2359  -17.0740
            41  C1a C    34.0468  -14.9803
            42  C1a C    38.8821  -20.5796
            43  O5a O    40.0886  -17.0802
            44  C1b C    42.5018  -17.0800
            45  C1c C    43.7053  -16.3850
            46  C1a C    43.7004  -14.9801
            47  O1a O    43.7089  -20.5797
            48  O6a O    46.1220  -20.5800
BOND        47
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24    2  25 1
            25    4  26 2
            26    6  27 1 #Up
            27   27  28 1
            28   27  29 1
            29    7  30 2
            30    9  31 1 #Down
            31   31  32 1
            32   31  33 1
            33   10  34 2
            34   13  36 1 #Down
            35   15  37 2
            36   12  38 1 #Up
            37   38  39 1
            38   39  40 1
            39   39  41 1
            40   17  42 1 #Down
            41   18  43 2
            42   20  44 1 #Up
            43   44  45 1
            44   45  35 1
            45   45  46 1
            46   21  47 1 #Down
            47   23  48 2

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