15FC4_5WL_A_401 2 RCSB PDB12061717373D 3Coordinates from PDB:5FC4:A:401 Model:1 without hydrogens 4 31 34 0 0 0 0 999 V2000 5 1.7780 3.9800 5.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 6 0.7670 2.8940 6.1370 S 0 0 0 0 0 0 0 0 0 0 0 0 7 1.2290 1.5230 5.9430 O 0 0 0 0 0 0 0 0 0 0 0 0 8 -0.6190 3.1120 5.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 9 0.7920 3.2850 7.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 10 1.9440 3.2490 8.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 11 3.0300 2.9100 7.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 12 1.7730 3.6070 9.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 13 0.5270 3.7800 10.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 14 0.7230 4.1460 11.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 15 -0.2570 4.4170 12.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 16 0.2310 4.7840 13.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 17 -0.9590 5.1120 15.1240 Cl 0 0 0 0 0 0 0 0 0 0 0 0 18 1.5690 4.8810 14.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 19 2.5170 4.5840 13.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 20 2.1070 4.1720 11.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 21 2.7640 3.8450 10.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 22 4.2860 3.7830 10.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 23 4.8570 2.3820 10.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 24 4.8310 2.0570 12.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 25 5.7530 2.8360 13.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 26 5.8810 2.6100 14.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 27 6.8790 3.4130 15.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 28 7.6800 4.3420 14.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 29 8.6750 5.1030 14.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 30 8.8460 4.9410 16.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 31 8.0220 4.1240 17.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 32 7.0770 3.2880 16.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 33 6.1940 2.3720 17.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 34 5.2100 1.5970 16.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 35 5.0440 1.7290 15.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 36 1 2 1 0 0 0 0 37 4 2 2 0 0 0 0 38 3 2 2 0 0 0 0 39 2 5 1 0 0 0 0 40 5 6 1 0 0 0 0 41 7 6 2 0 0 0 0 42 6 8 1 0 0 0 0 43 8 9 1 0 0 0 0 44 8 17 2 0 0 0 0 45 9 10 1 0 0 0 0 46 18 17 1 0 0 0 0 47 18 19 1 0 0 0 0 48 17 16 1 0 0 0 0 49 19 20 1 0 0 0 0 50 10 16 2 0 0 0 0 51 10 11 1 0 0 0 0 52 16 15 1 0 0 0 0 53 20 21 1 0 0 0 0 54 11 12 2 0 0 0 0 55 21 22 1 0 0 0 0 56 15 14 2 0 0 0 0 57 12 14 1 0 0 0 0 58 12 13 1 0 0 0 0 59 24 25 2 0 0 0 0 60 24 23 1 0 0 0 0 61 22 23 2 0 0 0 0 62 22 31 1 0 0 0 0 63 25 26 1 0 0 0 0 64 23 28 1 0 0 0 0 65 31 30 2 0 0 0 0 66 26 27 2 0 0 0 0 67 28 27 1 0 0 0 0 68 28 29 2 0 0 0 0 69 30 29 1 0 0 0 0 70A 1 71CAA 72A 2 73SBE 74A 3 75OAC 76A 4 77OAD 78A 5 79NAS 80A 6 81CAV 82A 7 83OAB 84A 8 85CAZ 86A 9 87NAT 88A 10 89CBB 90A 11 91CAO 92A 12 93CAW 94A 13 95CL 96A 14 97CAJ 98A 15 99CAN 100A 16 101CBD 102A 17 103CAY 104A 18 105CAR 106A 19 107CAP 108A 20 109CAQ 110A 21 111OAU 112A 22 113CAX 114A 23 115CBC 116A 24 117CAM 118A 25 119CAG 120A 26 121CAF 122A 27 123CAK 124A 28 125CBA 126A 29 127CAL 128A 30 129CAH 130A 31 131CAI 132M END 133> <InstanceId> 1345FC4_5WL_A_401 135 136> <ChemCompId> 1375WL 138 139> <PdbId> 1405FC4 141 142> <ChainId> 143A 144 145> <ResidueNumber> 146401 147 148> <InsertionCode> 149 150 151> <Model> 1521 153 154> <AltIds> 155 156 157> <MissingHeavyAtoms> 1580 159 160> <ObservedFormula> 161C23 N2 O4 S Cl 162 163> <Name> 1646-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide 165 166> <SystematicName> 1676-chloranyl-~{N}-methylsulfonyl-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxamide 168 169> <Synonyms> 170 171 172> <Type> 173NON-POLYMER 174 175> <Formula> 176C23 H21 Cl N2 O4 S 177 178> <MolecularWeight> 179456.942 180 181> <ModifiedDate> 1822016-02-26 183 184> <Parent> 185 186 187> <OneLetterCode> 188 189 190> <SubcomponentList> 191 192 193> <AmbiguousFlag> 194N 195 196> <InChI> 197InChI=1S/C23H21ClN2O4S/c1-31(28,29)26-23(27)22-19(18-12-11-16(24)14-20(18)25-22)9-5-13-30-21-10-4-7-15-6-2-3-8-17(15)21/h2-4,6-8,10-12,14,25H,5,9,13H2,1H3,(H,26,27) 198 199> <InChIKey> 200UTSWEVNFLYKBLS-UHFFFAOYSA-N 201 202> <SMILES> 203CS(=O)(=O)NC(=O)c1c(c2ccc(cc2[nH]1)Cl)CCCOc3cccc4c3cccc4 204 205$$$$ 206