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