Entry
Name
Ganirelix (INN); Orgalutran (TN)
Formula
C80H113ClN18O13
Exact mass
1568.8423
Mol weight
1570.32
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Product (DG00504): D04302<JP /US >
Efficacy
Gonadotropin-releasing hormone receptor antagonist
Comment
pituitary hormone-release inhibiting peptide
Target
Pathway
hsa04080 Neuroactive ligand-receptor interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
H01C HYPOTHALAMIC HORMONES
H01CC Anti-gonadotropin-releasing hormones
H01CC01 Ganirelix
D08010 Ganirelix (INN)
Target-based classification of drugs [BR:br08310 ]
G Protein-coupled receptors
Rhodopsin family
Gonadotropin-releasing hormone
GNRHR
D08010 Ganirelix (INN)
New drug approvals in Europe [br08329.html ]
European public assessment reports (EPAR) authorised medicine
D08010
BRITE hierarchy
Other DBs
LinkDB
All DBs
KCF data
Show ATOM 112
1 C8x C 3.2200 -19.1100
2 C8x C 3.2200 -20.5100
3 C8x C 4.4100 -21.2100
4 C8y C 5.6000 -20.5100
5 C8y C 5.6000 -19.1100
6 C8x C 4.4100 -18.4100
7 C8x C 6.7900 -21.2100
8 C8x C 7.9800 -20.5100
9 C8y C 7.9800 -19.1100
10 C8x C 6.7900 -18.4100
11 N1b N 10.3600 -20.8600
12 C1c C 10.3600 -19.1100
13 C1b C 9.1700 -18.4100
14 C5a C 11.5500 -21.5600
15 N1b N 12.7400 -19.1100
16 C5a C 11.5500 -18.4100
17 O5a O 15.1200 -20.5100
18 C5a C 15.1200 -19.1100
19 C1c C 13.9300 -18.4100
20 C1b C 17.5700 -20.6500
21 C1c C 17.5700 -19.1100
22 N1b N 16.3800 -18.4100
23 N1b N 19.9500 -19.1100
24 C5a C 18.7600 -18.4100
25 O5a O 22.3300 -20.5100
26 C5a C 22.3300 -19.1100
27 C1c C 21.1400 -18.4100
28 C1b C 24.7100 -20.5800
29 C1c C 24.7100 -19.1100
30 N1b N 23.5200 -18.4100
31 O5a O 11.5500 -17.0800
32 C1b C 13.9300 -15.9600
33 O5a O 18.7600 -17.0800
34 N1b N 27.0900 -19.1100
35 C5a C 25.9000 -18.4100
36 O5a O 29.4700 -20.5100
37 C5a C 29.4700 -19.1100
38 C1c C 28.2800 -18.4100
39 C1b C 31.9200 -20.8600
40 C1c C 31.9200 -19.1100
41 N1b N 30.7300 -18.4100
42 N1b N 34.3000 -19.1100
43 C5a C 33.1100 -18.4100
44 O5a O 36.6800 -20.5100
45 C5a C 36.6800 -19.1100
46 C1c C 35.4900 -18.4100
47 O5a O 25.9000 -17.0800
48 O5a O 33.1100 -17.0800
49 N1y N 37.8700 -18.4100
50 C1y C 38.9200 -19.2500
51 C1x C 40.0400 -18.4800
52 C1x C 39.6900 -17.1500
53 C1x C 38.3600 -17.1500
54 C1a C 12.7400 -20.8600
55 O5a O 11.5500 -22.8900
56 C8y C 12.7400 -15.2600
57 C8x C 12.7400 -13.8600
58 C8x C 11.5500 -13.1600
59 C8y C 10.3600 -13.8600
60 C8x C 10.3600 -15.2600
61 C8x C 11.5500 -15.9600
62 X Cl 9.1700 -13.1600
63 C5a C 38.9200 -20.6500
64 O5a O 37.7300 -21.3500
65 N1b N 40.1800 -21.3500
66 C1c C 41.3700 -20.6500
67 C5a C 42.4900 -21.3500
68 N1a N 43.6800 -20.6500
69 O5a O 42.4900 -22.6800
70 C1a C 41.3700 -19.2500
71 C1c C 33.1100 -21.5600
72 C1a C 34.3000 -20.8600
73 C1a C 33.1100 -22.8900
74 C8y C 25.9000 -21.2800
75 C8x C 25.9000 -22.6100
76 C8x C 27.0900 -23.3100
77 C8y C 28.3500 -22.6100
78 C8x C 28.3500 -21.2800
79 C8x C 27.0900 -20.5800
80 O1a O 29.5400 -23.3100
81 C8y C 18.7600 -21.3500
82 C8x C 18.7600 -22.6800
83 C8x C 19.9500 -23.3800
84 C8x C 21.1400 -22.6800
85 N5x N 21.1400 -21.3500
86 C8x C 19.9500 -20.6500
87 C1b C 28.2800 -15.3300
88 C1b C 27.0900 -14.6300
89 C1b C 21.1400 -17.0100
90 O1a O 22.4000 -16.3100
91 C1b C 35.4900 -16.6600
92 C1b C 36.7500 -15.9600
93 C1b C 25.9000 -15.3300
94 C1b C 24.7100 -14.6300
95 N2b N 23.5200 -15.3300
96 C2c C 22.3300 -14.6300
97 N1b N 21.1400 -15.3300
98 N1b N 22.3300 -13.2300
99 C1b C 19.9500 -14.6300
100 C1a C 18.7600 -15.3300
101 C1b C 21.1400 -12.5300
102 C1a C 19.9500 -13.2300
103 C1b C 37.9400 -16.6600
104 C1b C 39.1300 -15.9600
105 N2b N 40.3200 -16.6600
106 C2c C 41.5100 -15.9600
107 N1b N 42.7000 -16.6600
108 C1b C 43.8900 -15.9600
109 C1a C 45.0800 -16.6600
110 N1b N 41.5100 -14.5600
111 C1b C 42.7000 -13.8600
112 C1a C 43.8900 -14.5600
BOND 117
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 12 11 1 #Down
13 12 13 1
14 9 13 1
15 11 14 1
16 15 16 1
17 12 16 1
18 17 18 2
19 18 19 1
20 15 19 1
21 21 20 1 #Up
22 21 22 1
23 18 22 1
24 23 24 1
25 21 24 1
26 25 26 2
27 26 27 1
28 23 27 1
29 29 28 1 #Down
30 29 30 1
31 26 30 1
32 16 31 2
33 19 32 1 #Down
34 24 33 2
35 34 35 1
36 29 35 1
37 36 37 2
38 37 38 1
39 34 38 1
40 40 39 1 #Down
41 40 41 1
42 37 41 1
43 42 43 1
44 40 43 1
45 44 45 2
46 45 46 1
47 42 46 1
48 35 47 2
49 43 48 2
50 45 49 1
51 49 50 1
52 50 51 1
53 51 52 1
54 52 53 1
55 49 53 1
56 14 54 1
57 14 55 2
58 32 56 1
59 56 57 2
60 57 58 1
61 58 59 2
62 59 60 1
63 60 61 2
64 56 61 1
65 59 62 1
66 50 63 1 #Up
67 63 64 2
68 63 65 1
69 65 66 1
70 66 67 1
71 67 68 1
72 67 69 2
73 66 70 1 #Down
74 39 71 1
75 71 72 1
76 71 73 1
77 28 74 1
78 74 75 2
79 75 76 1
80 76 77 2
81 77 78 1
82 78 79 2
83 74 79 1
84 77 80 1
85 20 81 1
86 81 82 2
87 82 83 1
88 83 84 2
89 84 85 1
90 85 86 2
91 81 86 1
92 38 87 1 #Down
93 87 88 1
94 27 89 1 #Up
95 89 90 1
96 46 91 1 #Up
97 91 92 1
98 88 93 1
99 93 94 1
100 94 95 1
101 95 96 2
102 96 97 1
103 96 98 1
104 97 99 1
105 99 100 1
106 98 101 1
107 101 102 1
108 92 103 1
109 103 104 1
110 104 105 1
111 105 106 2
112 106 107 1
113 107 108 1
114 108 109 1
115 106 110 1
116 110 111 1
117 111 112 1