| | DRUG: Pepstatin | |
Entry |
|
Name |
Pepstatin (USAN/INN) |
Formula |
C34H63N5O9
|
Exact mass |
685.4626
|
Mol weight |
685.8921
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Antineoplastic, Pepsin inhibitor |
Target |
aspartic protease |
Other DBs |
|
KCF data |
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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