Entry |
|
Name |
|
Formula |
C53H76N14O12
|
Exact mass |
1100.5767
|
Mol weight |
1101.2571
|
Structure |
|
Sequence |
pyroGlu Trp Pro Arg Pro Gln Ile Pro Pro |
Type |
Peptide |
Remark |
|
Pathway |
map07217 | Renin-angiotensin system inhibitors |
|
Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01925 Renin-angiotensin system inhibitor
DG01501 Angiotensin-converting enzyme inhibitor
D06076 Teprotide
DG03231 Antihypertensive
DG01501 Angiotensin-converting enzyme inhibitor
D06076 Teprotide
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Peptidyl-dipeptidases
ACE (CD143)
D06076 Teprotide (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 79
1 N1y N 32.8509 -22.1950
2 C1x C 32.4865 -23.5368
3 C1x C 33.6360 -24.2912
4 C1x C 34.7196 -23.4267
5 C1y C 34.2329 -22.2040
6 N1b N 30.4533 -19.4081
7 C1c C 31.6538 -20.1120
8 C1c C 32.8670 -19.4181
9 C5a C 31.6482 -21.5026
10 O5a O 30.4418 -22.1894
11 C1b C 32.8728 -18.0275
12 C1a C 34.0677 -20.1218
13 C5a C 29.2415 -20.0971
14 C1c C 28.2627 -19.1133
15 N1b N 26.9304 -19.5383
16 C1b C 28.6964 -17.7778
17 C1b C 30.0465 -17.3451
18 C5a C 30.0152 -15.9389
19 O5a O 28.7911 -15.1587
20 N1a N 31.2607 -15.2746
21 N1y N 24.1977 -20.4437
22 C1y C 25.2796 -21.2934
23 C1x C 23.0619 -21.2363
24 C1x C 24.8327 -22.6099
25 C1x C 23.4814 -22.6436
26 C5a C 26.6099 -20.8935
27 O5a O 27.6701 -21.8670
28 C5a C 24.2348 -19.0535
29 O5a O 25.4563 -18.3871
30 C1b C 24.3175 -16.1205
31 C1b C 24.5525 -14.7496
32 N1b N 25.8506 -14.2745
33 C2c C 25.8395 -12.8778
34 N2a N 24.5952 -12.1626
35 N1a N 26.9860 -12.1812
36 N1y N 18.6982 -19.3291
37 C1y C 19.8091 -20.1554
38 C1x C 17.5858 -20.1515
39 C1x C 19.3845 -21.4817
40 C1x C 18.0338 -21.4821
41 C5a C 21.1240 -19.7252
42 O5a O 22.2009 -20.6734
43 C5a C 18.6955 -17.9385
44 C1c C 17.4910 -17.2492
45 C1b C 17.4882 -15.8489
46 C8y C 18.8014 -15.3778
47 C8y C 19.1961 -13.9665
48 C8x C 19.9556 -16.1625
49 C8y C 20.6211 -14.0268
50 N4x N 21.0762 -15.3080
51 C8x C 21.3151 -12.7853
52 C8x C 20.5839 -11.5572
53 C8x C 19.1511 -11.5179
54 C8x C 18.4643 -12.8223
55 N1b N 16.2818 -17.9431
56 C5a C 15.0771 -17.2536
57 C1x C 13.7673 -19.3295
58 C1y C 13.8844 -17.9512
59 C1x C 12.4115 -19.6236
60 N1x N 12.6131 -17.3915
61 C5x C 11.7234 -18.4044
62 O5a O 15.0862 -15.8188
63 O5a O 19.8977 -17.2446
64 N1b N 21.4045 -18.3631
65 C1c C 22.7233 -17.9214
66 C1b C 23.0038 -16.5591
67 O5a O 28.8762 -21.4463
68 C5a C 35.4283 -21.4323
69 N1y N 36.6378 -22.1132
70 O5a O 35.4157 -20.0417
71 C1a C 34.0792 -17.3407
72 C1x C 36.8004 -23.4966
73 C1x C 38.1632 -23.7679
74 C1x C 38.8439 -22.5582
75 C1y C 37.8994 -21.5351
76 C6a C 38.1864 -20.1726
77 O6a O 39.5053 -19.7305
78 O6a O 37.1404 -19.2525
79 O5x O 10.3401 -18.2611
BOND 85
1 38 40 1
2 39 40 1
3 41 42 2
4 37 41 1
5 8 11 1
6 8 12 1 #Down
7 9 1 1
8 13 6 1
9 22 21 1
10 21 23 1
11 22 24 1 #Down
12 23 25 1
13 24 25 1
14 26 27 2
15 22 26 1
16 44 45 1 #Up
17 46 47 1
18 46 48 2
19 47 49 2
20 48 50 1
21 49 50 1
22 45 46 1
23 49 51 1
24 51 52 2
25 52 53 1
26 53 54 2
27 54 47 1
28 1 2 1
29 44 55 1
30 44 43 1
31 21 28 1
32 55 56 1
33 6 7 1
34 28 29 2
35 2 3 1
36 7 8 1 #Up
37 3 4 1
38 7 9 1
39 58 57 1 #Down
40 57 59 1
41 58 60 1
42 59 61 1
43 60 61 1
44 56 62 2
45 58 56 1
46 5 4 1 #Down
47 43 63 2
48 43 36 1
49 14 15 1
50 41 64 1
51 30 31 1
52 64 65 1
53 31 32 1
54 65 66 1 #Up
55 66 30 1
56 65 28 1
57 26 15 1
58 14 13 1
59 33 34 2
60 13 67 2
61 33 35 1
62 5 68 1
63 32 33 1
64 68 69 1
65 14 16 1 #Up
66 68 70 2
67 17 16 1
68 11 71 1
69 18 19 2
70 17 18 1
71 18 20 1
72 9 10 2
73 69 72 1
74 72 73 1
75 73 74 1
76 75 74 1 #Down
77 75 69 1
78 5 1 1
79 75 76 1
80 37 36 1
81 76 77 1
82 36 38 1
83 76 78 2
84 37 39 1 #Down
85 61 79 2
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