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