11NDY_FR3_A_1001 2 RCSB PDB12061703243D 3Coordinates from PDB:1NDY:A:1001 Model:1 without hydrogens 4 23 25 0 0 0 0 999 V2000 5 50.9530 53.9590 20.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 6 51.0310 54.9480 21.7970 N 0 0 0 0 0 0 0 0 0 0 0 0 7 50.8750 54.2580 22.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 8 50.6810 52.9280 22.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 9 50.7320 52.7880 21.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 10 50.5960 51.4430 20.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 11 50.3550 51.3630 19.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 12 50.5600 50.3070 21.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 13 50.9440 56.4700 21.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 14 52.4470 57.1350 21.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 15 53.3600 56.5060 22.6140 O 0 0 0 0 0 0 0 0 0 0 0 0 16 50.2560 56.8790 20.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 17 48.7150 56.5170 20.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 18 47.9560 56.7980 19.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 19 47.5760 58.0960 18.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 20 46.9220 58.3730 17.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 21 46.7240 57.3030 16.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 22 47.0980 55.9950 17.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 23 47.7980 55.7420 18.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 24 46.9520 54.9460 16.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 25 48.1790 54.4260 18.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 26 47.3560 53.6240 16.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 27 48.0110 53.3960 17.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 28 1 2 1 0 0 0 0 29 1 5 2 0 0 0 0 30 2 3 1 0 0 0 0 31 2 9 1 0 0 0 0 32 3 4 2 0 0 0 0 33 4 5 1 0 0 0 0 34 5 6 1 0 0 0 0 35 6 7 2 0 0 0 0 36 6 8 1 0 0 0 0 37 9 10 1 0 0 0 0 38 9 12 1 0 0 0 0 39 10 11 1 0 0 0 0 40 12 13 1 0 0 0 0 41 13 14 1 0 0 0 0 42 14 15 2 0 0 0 0 43 14 19 1 0 0 0 0 44 15 16 1 0 0 0 0 45 16 17 2 0 0 0 0 46 17 18 1 0 0 0 0 47 18 19 2 0 0 0 0 48 18 20 1 0 0 0 0 49 19 21 1 0 0 0 0 50 20 22 2 0 0 0 0 51 21 23 2 0 0 0 0 52 22 23 1 0 0 0 0 53A 1 54C1 55A 2 56N2 57A 3 58C3 59A 4 60N4 61A 5 62C5 63A 6 64C8 65A 7 66O9 67A 8 68N10 69A 9 70C13 71A 10 72C14 73A 11 74O15 75A 12 76C18 77A 13 78C19 79A 14 80C22 81A 15 82C25 83A 16 84C26 85A 17 86C27 87A 18 88C28 89A 19 90C29 91A 20 92C2 93A 21 94C4 95A 22 96C6 97A 23 98C7 99M END 100> <InstanceId> 1011NDY_FR3_A_1001 102 103> <ChemCompId> 104FR3 105 106> <PdbId> 1071NDY 108 109> <ChainId> 110A 111 112> <ResidueNumber> 1131001 114 115> <InsertionCode> 116 117 118> <Model> 1191 120 121> <AltIds> 122 123 124> <MissingHeavyAtoms> 1250 126 127> <ObservedFormula> 128C18 N3 O2 129 130> <Name> 1311-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE 132 133> <SystematicName> 1341-[(2R)-1-hydroxy-4-naphthalen-1-yl-butan-2-yl]imidazole-4-carboxamide 135 136> <Synonyms> 137FR230513 138 139> <Type> 140NON-POLYMER 141 142> <Formula> 143C18 H19 N3 O2 144 145> <MolecularWeight> 146309.362 147 148> <ModifiedDate> 1492011-06-04 150 151> <Parent> 152 153 154> <OneLetterCode> 155 156 157> <SubcomponentList> 158 159 160> <AmbiguousFlag> 161N 162 163> <InChI> 164InChI=1S/C18H19N3O2/c19-18(23)17-10-21(12-20-17)15(11-22)9-8-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,10,12,15,22H,8-9,11H2,(H2,19,23)/t15-/m1/s1 165 166> <InChIKey> 167URGFTPMACWKJKU-OAHLLOKOSA-N 168 169> <SMILES> 170c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)C(=O)N 171 172$$$$ 173