ENTRY D08027 Drug NAME Gonadorelin (INN); Fertagyl (TN) FORMULA C55H75N17O13 EXACT_MASS 1181.5730 MOL_WEIGHT 1182.29 SEQUENCE Glp His Trp Ser Tyr Gly Leu Arg Pro Gly TYPE Peptide CLASS Hormonal agent DG01494 Gonadotropin-releasing hormone receptor agonist REMARK Same as: C07607 ATC code: H01CA01 V04CM01 Chemical structure group: DG00499 Product (DG00499): D03267 EFFICACY Gonadotropin-releasing hormone receptor agonist COMMENT Hypothalamic hormone, luteinizing hormone releasing hormone TARGET GNRHR [HSA:2798] [KO:K04280] PATHWAY hsa04080(2798) Neuroactive ligand-receptor interaction hsa04912(2798) GnRH signaling pathway 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 H01CA Gonadotropin-releasing hormones H01CA01 Gonadorelin D08027 Gonadorelin (INN) V VARIOUS V04 DIAGNOSTIC AGENTS V04C OTHER DIAGNOSTIC AGENTS V04CM Tests for fertility disturbances V04CM01 Gonadorelin D08027 Gonadorelin (INN) Drug groups [BR:br08330] Hormonal agent DG01494 Gonadotropin-releasing hormone receptor agonist DG00499 Gonadorelin D08027 Gonadorelin Target-based classification of drugs [BR:br08310] G Protein-coupled receptors Rhodopsin family Gonadotropin-releasing hormone GNRHR D08027 Gonadorelin (INN) Drug groups [BR:br08330] Hormonal agent DG01494 Gonadotropin-releasing hormone receptor agonist DG00499 Gonadorelin DBLINKS CAS: 33515-09-2 PubChem: 96024720 ChEBI: 5520 LigandBox: D08027 J-GLOBAL: J17.598F ATOM 85 1 C8y C 12.8832 -12.9525 2 C8y C 12.4631 -14.2828 3 C8y C 14.2834 -12.9525 4 C8x C 12.1831 -11.6923 5 C1b C 11.2729 -14.9129 6 C8x C 13.5833 -15.0529 7 N4x N 14.7035 -14.2828 8 C8x C 14.9835 -11.7623 9 C8x C 12.8832 -10.5021 10 C1c C 11.2729 -16.3131 11 C8x C 14.2834 -10.5021 12 N1b N 10.0827 -17.0132 13 C5a C 12.4631 -17.0132 14 C5a C 8.8925 -16.3131 15 N1b N 13.6533 -16.3131 16 O5a O 12.4631 -18.4135 17 C1c C 7.7023 -17.0132 18 O5a O 8.8925 -14.9129 19 C1c C 14.8435 -17.0132 20 C1b C 7.7023 -18.4135 21 N1b N 6.4421 -16.3131 22 C5a C 16.0337 -16.3131 23 C1b C 14.8435 -18.4135 24 C8y C 8.8925 -19.1136 25 C5a C 5.2519 -17.0132 26 N1b N 17.2239 -17.0132 27 O5a O 16.0337 -14.9129 28 O1a O 16.0337 -19.0436 29 C8x C 10.1527 -18.6235 30 N4x N 8.8925 -20.5138 31 C1y C 4.0617 -16.3131 32 O5a O 5.2519 -18.4135 33 C1c C 18.4141 -16.3131 34 N5x N 11.0629 -19.7437 35 C8x C 10.2227 -20.8639 36 N1x N 4.0617 -14.9829 37 C1x C 2.8014 -16.7332 38 C1b C 18.4141 -14.9129 39 C5a C 19.6043 -17.0132 40 C5x C 2.8014 -14.5628 41 C1x C 1.9613 -15.6830 42 C8y C 19.6043 -14.2128 43 N1b N 20.7945 -16.3131 44 O5a O 19.6043 -18.3435 45 O5x O 2.3114 -13.2326 46 C8x C 20.7945 -14.9129 47 C8x C 19.6043 -12.8125 48 C1b C 22.0548 -16.9432 49 C8x C 22.0548 -14.2128 50 C8x C 20.7945 -12.1124 51 C5a C 23.2450 -16.3131 52 C8y C 22.0548 -12.8125 53 N1b N 24.4352 -16.9432 54 O5a O 23.2450 -14.9129 55 O1a O 23.2450 -12.1124 56 C1c C 25.6254 -16.3131 57 C5a C 26.8156 -16.9432 58 C1b C 25.6254 -14.9129 59 N1b N 28.0058 -16.2431 60 O5a O 26.8156 -18.3435 61 C1c C 26.8156 -14.2128 62 C1c C 29.1960 -16.9432 63 C1a C 26.8156 -12.8125 64 C1a C 28.0058 -14.9129 65 C5a C 30.3862 -16.2431 66 C1b C 29.1960 -18.3435 67 N1y N 31.5064 -16.9432 68 O5a O 30.3862 -14.9129 69 C1b C 28.0058 -19.0436 70 C1y C 32.9066 -16.9432 71 C1x C 31.1563 -18.2735 72 C1b C 28.0058 -20.4438 73 C1x C 33.3967 -18.2034 74 C5a C 34.0968 -16.2431 75 C1x C 32.2765 -19.0436 76 N1b N 26.8156 -21.0739 77 N1b N 35.2871 -16.9432 78 O5a O 34.0968 -14.8429 79 C2c C 25.6254 -20.4438 80 N1a N 25.6254 -19.0436 81 N2a N 24.3652 -21.0739 82 C1b C 36.4983 -16.2503 83 C5a C 37.6822 -16.9403 84 N1a N 38.8808 -16.2547 85 O5a O 37.6766 -18.3399 BOND 90 1 1 2 1 2 1 3 2 3 1 4 1 4 2 5 1 5 2 6 2 6 3 7 1 7 3 8 1 8 4 9 2 9 10 5 1 #Up 10 8 11 2 11 10 12 1 12 10 13 1 13 12 14 1 14 13 15 1 15 13 16 2 16 14 17 1 17 14 18 2 18 15 19 1 19 17 20 1 #Down 20 17 21 1 21 19 22 1 22 19 23 1 #Down 23 20 24 1 24 21 25 1 25 22 26 1 26 22 27 2 27 23 28 1 28 24 29 2 29 24 30 1 30 31 25 1 #Down 31 25 32 2 32 26 33 1 33 29 34 1 34 30 35 1 35 31 36 1 36 31 37 1 37 33 38 1 #Up 38 33 39 1 39 36 40 1 40 37 41 1 41 38 42 1 42 39 43 1 43 39 44 2 44 40 45 2 45 42 46 2 46 42 47 1 47 43 48 1 48 46 49 1 49 47 50 2 50 48 51 1 51 49 52 2 52 51 53 1 53 51 54 2 54 52 55 1 55 53 56 1 56 56 57 1 57 56 58 1 #Up 58 57 59 1 59 57 60 2 60 58 61 1 61 59 62 1 62 61 63 1 63 61 64 1 64 62 65 1 65 62 66 1 #Down 66 65 67 1 67 65 68 2 68 66 69 1 69 67 70 1 70 67 71 1 71 69 72 1 72 70 73 1 73 70 74 1 #Down 74 71 75 1 75 72 76 1 76 74 77 1 77 74 78 2 78 76 79 1 79 79 80 1 80 79 81 2 81 6 7 1 82 9 11 1 83 34 35 2 84 40 41 1 85 50 52 1 86 73 75 1 87 77 82 1 88 82 83 1 89 83 84 1 90 83 85 2 ///