Entry
Name
Atosiban acetate; Tractocile (TN)
Formula
C43H67N11O12S2. C2H4O2
Exact mass
1053.4623
Mol weight
1054.25
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Efficacy
Antihyperlipidemic, Oxytocin receptor antagonist
Target
Pathway
hsa04080 Neuroactive ligand-receptor interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
G GENITO URINARY SYSTEM AND SEX HORMONES
G02 OTHER GYNECOLOGICALS
G02C OTHER GYNECOLOGICALS
G02CX Other gynecologicals
G02CX01 Atosiban
D07475 Atosiban acetate
Target-based classification of drugs [BR:br08310 ]
G Protein-coupled receptors
Rhodopsin family
Oxytocin
OXTR
D07475 Atosiban acetate
New drug approvals in Europe [br08329.html ]
European public assessment reports (EPAR) authorised medicine
D07475
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 72
1 C1y C 11.4100 -18.4800
2 N1x N 11.4100 -17.1500
3 C1x C 12.5300 -19.1800
4 C5x C 12.5300 -16.5200
5 S3x S 13.6500 -18.4800
6 C1y C 12.5300 -15.1900
7 O5x O 13.6500 -17.1500
8 S3x S 14.7700 -19.1800
9 N1x N 11.4100 -14.5600
10 C1x C 15.9600 -18.4800
11 C5x C 11.4100 -13.2300
12 C1x C 17.0800 -19.1800
13 C1y C 13.3700 -12.5300
14 O5x O 10.2900 -12.6000
15 C5x C 18.2000 -18.4800
16 N1x N 15.2600 -13.3000
17 C1c C 13.3700 -10.8500
18 N1x N 19.3200 -19.1800
19 O5x O 18.2000 -17.1500
20 C5x C 17.0800 -12.5300
21 C1a C 12.2500 -10.1500
22 C1y C 20.4400 -18.4800
23 C1y C 19.3200 -13.3000
24 O5x O 17.0800 -11.2700
25 C5x C 20.4400 -17.1500
26 C1c C 20.6500 -12.6000
27 N1x N 19.3200 -16.5200
28 O5x O 21.6300 -16.5200
29 C1b C 21.8400 -13.2300
30 C1a C 22.9600 -12.5300
31 C1b C 13.6500 -14.5600
32 C5a C 14.7700 -15.1900
33 N1a N 15.9600 -14.5600
34 O5a O 14.7700 -16.5200
35 O1a O 14.5600 -10.1500
36 N1y N 10.2900 -20.4400
37 C1y C 10.7100 -21.7000
38 C5a C 10.2900 -19.1800
39 C1x C 8.9600 -20.5100
40 C1x C 9.6600 -22.4700
41 O5a O 9.1700 -18.4800
42 C1x C 8.6100 -21.7000
43 C5a C 11.8300 -22.3300
44 N1b N 12.9500 -21.7000
45 O5a O 11.8300 -23.6600
46 C1c C 14.0700 -22.3300
47 C5a C 14.0700 -23.6600
48 N1b N 15.2600 -24.2900
49 O5a O 12.9500 -24.2900
50 C1b C 16.3800 -23.6600
51 C5a C 17.5700 -24.3600
52 N1a N 18.7600 -23.6600
53 O5a O 17.5700 -25.7600
54 C1b C 15.2600 -21.7000
55 C1b C 16.3800 -22.3300
56 C1b C 17.5000 -21.7000
57 N1a N 18.6900 -22.4000
58 C1b C 21.6300 -19.1800
59 C8y C 22.7500 -18.4800
60 C8x C 23.8700 -19.1100
61 C8x C 22.7500 -17.1500
62 C8x C 24.9900 -18.4800
63 C8x C 23.8700 -16.5200
64 C8y C 24.9900 -17.1500
65 O2a O 26.1100 -16.5200
66 C1b C 27.3000 -17.2200
67 C1a C 28.5600 -16.5200
68 C1a C 20.5800 -11.2000
69 C6a C 33.0400 -20.3700
70 C1a C 34.2524 -21.0700
71 O6a O 31.8276 -21.0700
72 O6a O 33.0400 -18.9700
BOND 73
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 4 7 2
7 5 8 1
8 6 9 1
9 8 10 1
10 9 11 1
11 10 12 1
12 11 13 1
13 11 14 2
14 12 15 1
15 13 16 1
16 13 17 1
17 15 18 1
18 15 19 2
19 16 20 1
20 17 21 1
21 18 22 1
22 20 23 1
23 20 24 2
24 22 25 1
25 23 26 1
26 23 27 1
27 25 28 2
28 26 29 1
29 29 30 1
30 25 27 1
31 31 32 1
32 32 33 1
33 32 34 2
34 6 31 1 #Up
35 17 35 1 #Up
36 36 37 1
37 36 38 1
38 36 39 1
39 37 40 1
40 38 41 2
41 39 42 1
42 40 42 1
43 43 44 1
44 43 45 2
45 44 46 1
46 46 47 1
47 47 48 1
48 47 49 2
49 48 50 1
50 50 51 1
51 51 52 1
52 51 53 2
53 37 43 1 #Down
54 1 38 1 #Up
55 54 55 1
56 55 56 1
57 56 57 1
58 46 54 1 #Up
59 58 59 1
60 59 60 2
61 59 61 1
62 60 62 1
63 61 63 2
64 62 64 2
65 64 65 1
66 63 64 1
67 65 66 1
68 66 67 1
69 22 58 1 #Up
70 26 68 1 #Up
71 69 70 1
72 69 71 1
73 69 72 2