Receptor
PDB id Resolution Class Description Source Keywords
4bnz 2.5 Å EC: 1.1.1.100 CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCT FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 1-METHYL-N-PHEN3 -CARBOXAMIDE AT 2.5A RESOLUTION PSEUDOMONAS AERUGINOSA OXIDOREDUCTASE ROSSMANN FOLD FATTY ACID BIOSYNTHESIS
Ref.: DISCOVERY OF AN ALLOSTERIC INHIBITOR BINDING SITE I 3-OXO-ACYL-ACP REDUCTASE FROM PSEUDOMONAS AERUGINOS ACS CHEM.BIOL. V. 8 2518 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8M5 A:1248;
D:1248;
 Valid;
Valid;
 none;
none;
 ic50 = 0.26 uM
250.295 C16 H14 N2 O Cn1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BNU 2 Å EC: 1.1.1.100 CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCT FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 2-PHENYL-4-(1,2T RIAZOL-4-YL)QUINAZOLINE AT 2.0A RESOLUTION PSEUDOMONAS AERUGINOSA OXIDOREDUCTASE ROSSMANN FOLD FATTY ACID BIOSYNTHESIS
Ref.: DISCOVERY OF AN ALLOSTERIC INHIBITOR BINDING SITE I 3-OXO-ACYL-ACP REDUCTASE FROM PSEUDOMONAS AERUGINOS ACS CHEM.BIOL. V. 8 2518 2013
Members (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
2 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
3 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
4 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
5 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
6 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
8 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
9 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
10 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
11 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
4 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
5 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
6 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
7 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
8 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
10 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
11 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
12 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
13 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
50% Homology Family (94)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3SJU - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 2RHR - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 1GEG - GLC C6 H12 O6 C([C@@H]1[....
11 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
12 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
15 3AUU - BGC C6 H12 O6 C([C@@H]1[....
16 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
18 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
19 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
20 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
21 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
22 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
23 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
24 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 1IPF - TNE C8 H13 N O CN1[C@H]2C....
26 5OVK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
27 1NFQ - AOI C19 H30 O2 C[C@]12CC[....
28 6CI9 - F3V C3 H7 N O CC(=O)CN
29 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 5O72 Ki = 23 nM 9MH C18 H14 F N3 O3 c1cc(cc2c1....
33 5HS6 - J3Z C18 H22 O2 C[C@]12CC[....
34 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
35 5O6O Ki = 58 nM 9MB C17 H11 F2 N O3 c1cc(c(c(c....
36 5ICM - GLC C6 H12 O6 C([C@@H]1[....
37 5O7C Ki = 9 nM 9N2 C17 H9 F N2 O2 c1cc(cc2c1....
38 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
41 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
45 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
46 6TQ5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
47 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
48 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
52 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
53 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
55 4NBU - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
56 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
57 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
58 5OJG - BUO C4 H6 O2 CC(=O)C(=O....
59 5OJI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
60 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 6XEW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 6VSP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 5WUW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
64 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
66 6F9Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
67 3AI3 - SOL C6 H12 O6 C([C@@H]([....
68 3AI2 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
69 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 4CR6 - MAN C6 H12 O6 C([C@@H]1[....
71 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
72 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
73 4ZA2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
74 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
75 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
76 1FMC - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
77 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
78 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
79 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
80 6JHA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
81 6JHB - ENO C9 H8 O4 c1cc(ccc1C....
82 3U4C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
83 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
84 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
85 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
86 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
87 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
88 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
89 6IXM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
90 6Y4D - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
91 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
92 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
93 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
94 6J7U - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 8M5; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 8M5 1 1
2 QPR 0.528302 0.702703
Similar Ligands (3D)
Ligand no: 1; Ligand: 8M5; Similar ligands found: 558
No: Ligand Similarity coefficient
1 UAY 0.9580
2 1V8 0.9579
3 DFL 0.9481
4 20D 0.9480
5 MR4 0.9461
6 6BK 0.9445
7 1V1 0.9383
8 MR5 0.9359
9 3F4 0.9353
10 RGK 0.9350
11 SZ5 0.9343
12 CMG 0.9341
13 5ER 0.9336
14 27F 0.9333
15 1UT 0.9329
16 3D8 0.9324
17 A73 0.9321
18 NKI 0.9319
19 697 0.9312
20 MHB 0.9309
21 C4E 0.9305
22 97K 0.9303
23 041 0.9302
24 LJ2 0.9298
25 AGI 0.9297
26 4ZF 0.9295
27 LJ1 0.9290
28 NAR 0.9288
29 1UR 0.9286
30 08C 0.9281
31 WLH 0.9278
32 1V0 0.9276
33 IDZ 0.9270
34 1UZ 0.9269
35 A63 0.9268
36 245 0.9267
37 ZRL 0.9265
38 25F 0.9263
39 4RG 0.9255
40 EDZ 0.9251
41 M3W 0.9243
42 7FZ 0.9242
43 NPZ 0.9239
44 AVX 0.9236
45 GW9 0.9234
46 Q5M 0.9232
47 Q2S 0.9216
48 KTM 0.9210
49 QS4 0.9203
50 LU2 0.9202
51 STL 0.9200
52 0SY 0.9200
53 120 0.9198
54 6H2 0.9196
55 TH1 0.9194
56 MR6 0.9190
57 801 0.9186
58 H32 0.9181
59 4YE 0.9181
60 338 0.9180
61 AV6 0.9176
62 ZTW 0.9168
63 Q92 0.9168
64 LI4 0.9164
65 NW1 0.9163
66 CWE 0.9160
67 CX6 0.9159
68 IDD 0.9159
69 SQM 0.9157
70 VT3 0.9156
71 DFV 0.9152
72 3JC 0.9151
73 5VU 0.9151
74 TVC 0.9150
75 196 0.9148
76 47V 0.9146
77 ZRK 0.9145
78 91F 0.9139
79 X8I 0.9134
80 4YF 0.9133
81 F40 0.9132
82 68C 0.9132
83 ZAR 0.9131
84 IIH 0.9127
85 7LU 0.9124
86 E9L 0.9124
87 ZEA 0.9124
88 A64 0.9123
89 KMP 0.9121
90 EMU 0.9112
91 FY8 0.9112
92 3WL 0.9110
93 BMZ 0.9107
94 QC1 0.9105
95 YEX 0.9102
96 UN4 0.9099
97 EEY 0.9098
98 IMK 0.9097
99 124 0.9093
100 CDJ 0.9092
101 5XM 0.9091
102 NZ4 0.9090
103 F36 0.9088
104 38E 0.9086
105 6QT 0.9086
106 2QU 0.9083
107 CR4 0.9082
108 WA1 0.9081
109 NU3 0.9076
110 PIQ 0.9075
111 8KW 0.9073
112 5WW 0.9072
113 G2V 0.9071
114 W2E 0.9070
115 GEN 0.9070
116 O53 0.9069
117 LI7 0.9068
118 BRY 0.9067
119 29F 0.9066
120 BVB 0.9063
121 7EH 0.9062
122 LJ5 0.9057
123 6X1 0.9057
124 FNT 0.9055
125 MRE 0.9052
126 6DQ 0.9052
127 9JT 0.9051
128 2WU 0.9051
129 WA2 0.9050
130 1V3 0.9049
131 OAK 0.9049
132 3WK 0.9049
133 QUE 0.9048
134 7L4 0.9047
135 H2W 0.9047
136 6TJ 0.9045
137 6JM 0.9043
138 LUM 0.9040
139 397 0.9040
140 4K2 0.9038
141 IY5 0.9034
142 06R 0.9033
143 5TU 0.9031
144 MBP 0.9028
145 8BD 0.9027
146 1HP 0.9026
147 57D 0.9026
148 LZ7 0.9022
149 122 0.9022
150 UN9 0.9021
151 0NJ 0.9020
152 S98 0.9020
153 3TI 0.9020
154 53X 0.9019
155 W8L 0.9016
156 H35 0.9014
157 1V4 0.9014
158 H4B 0.9013
159 121 0.9011
160 3Q0 0.9011
161 CC6 0.9011
162 7G2 0.9007
163 IW4 0.9005
164 8E3 0.9004
165 5PK 0.9003
166 EES 0.9000
167 AP6 0.9000
168 2QV 0.8998
169 O9Z 0.8996
170 1BD 0.8995
171 XAV 0.8993
172 LVB 0.8992
173 FSE 0.8986
174 X8E 0.8983
175 0DF 0.8982
176 5OR 0.8980
177 O9T 0.8980
178 83D 0.8979
179 IW5 0.8979
180 FBC 0.8978
181 IXM 0.8978
182 HFT 0.8976
183 EDG AHR 0.8974
184 AUY 0.8971
185 4GU 0.8970
186 FYR 0.8970
187 T5J 0.8968
188 244 0.8966
189 BZC 0.8966
190 5LP 0.8965
191 XYP XIM 0.8962
192 4AU 0.8962
193 4CN 0.8962
194 LFK 0.8961
195 DDC 0.8961
196 P4L 0.8960
197 1Q2 0.8957
198 18E 0.8955
199 EFT 0.8955
200 U14 0.8952
201 WG8 0.8952
202 RE4 0.8951
203 Q7U 0.8951
204 K0G 0.8950
205 HWH 0.8949
206 PIT 0.8948
207 1DR 0.8945
208 BSU 0.8943
209 L2K 0.8942
210 HCC 0.8941
211 ZIP 0.8940
212 833 0.8939
213 IW3 0.8938
214 4TX 0.8936
215 O9Q 0.8933
216 5E2 0.8930
217 AOY 0.8930
218 U4J 0.8927
219 2ZI 0.8927
220 9CE 0.8926
221 5XL 0.8926
222 3RL 0.8926
223 OUA 0.8925
224 31F 0.8925
225 OUG 0.8924
226 YE7 0.8924
227 15I 0.8921
228 Q0K 0.8921
229 M3F 0.8921
230 TVZ 0.8920
231 FHV 0.8916
232 LR2 0.8916
233 1R5 0.8914
234 ELH 0.8914
235 8EC 0.8913
236 HRD 0.8910
237 BU7 0.8910
238 H0V 0.8907
239 553 0.8904
240 802 0.8904
241 6JP 0.8902
242 5WT 0.8901
243 NRA 0.8900
244 D4O 0.8900
245 J8D 0.8900
246 NE2 0.8898
247 ZSP 0.8898
248 AJ4 0.8897
249 NEO 0.8894
250 GN5 0.8894
251 M08 0.8893
252 F1T 0.8892
253 0DJ 0.8892
254 C0V 0.8889
255 JFS 0.8888
256 HWB 0.8888
257 HBI 0.8887
258 H2B 0.8887
259 1FL 0.8883
260 0RY 0.8883
261 GQZ 0.8883
262 SIJ 0.8881
263 8HH 0.8878
264 4AB 0.8877
265 8E6 0.8875
266 DE7 0.8874
267 2GQ 0.8869
268 88X 0.8867
269 XYP XYP 0.8867
270 1Q1 0.8866
271 YE6 0.8865
272 U13 0.8863
273 B4L 0.8863
274 79X 0.8863
275 E98 0.8861
276 FLF 0.8860
277 D59 0.8860
278 X2L 0.8860
279 5E5 0.8860
280 OLU 0.8860
281 NOC 0.8858
282 ARJ 0.8858
283 DXK 0.8858
284 Z3R 0.8858
285 JF8 0.8857
286 KLV 0.8856
287 41L 0.8854
288 EBB 0.8853
289 RSV 0.8852
290 RE2 0.8852
291 F08 0.8851
292 F18 0.8850
293 B2E 0.8849
294 D5F 0.8847
295 TQ1 0.8847
296 T21 0.8846
297 IK1 0.8846
298 GJB 0.8845
299 47X 0.8843
300 5NN 0.8843
301 CUE 0.8842
302 2Q0 0.8840
303 A6W 0.8839
304 4P9 0.8839
305 BJ4 0.8838
306 DMB 0.8837
307 DH2 0.8836
308 EST 0.8836
309 CG 0.8834
310 P4T 0.8833
311 PW5 0.8833
312 SAK 0.8832
313 JBB 0.8832
314 BBY 0.8828
315 U12 0.8825
316 MUX 0.8823
317 135 0.8823
318 PJK 0.8821
319 6FX 0.8820
320 3GX 0.8817
321 26C 0.8817
322 E6Q 0.8816
323 SNJ 0.8816
324 92O 0.8816
325 MXM 0.8814
326 BXS 0.8814
327 M83 0.8812
328 QUG 0.8810
329 IEE 0.8810
330 23M 0.8808
331 QUB 0.8807
332 3MI 0.8806
333 A45 0.8806
334 22T 0.8802
335 N5B 0.8802
336 1Q4 0.8801
337 NXB 0.8801
338 5ZM 0.8800
339 5E1 0.8800
340 S13 0.8800
341 BBP 0.8797
342 6JO 0.8795
343 272 0.8795
344 100 0.8795
345 Q9T 0.8794
346 0UL 0.8790
347 A8D 0.8789
348 XZ1 0.8789
349 MYC 0.8788
350 LOX XYP 0.8787
351 NIF 0.8786
352 3N0 0.8785
353 7ZO 0.8780
354 SGW 0.8779
355 XYS XYS 0.8779
356 HH6 0.8778
357 CBE 0.8778
358 AJ6 0.8777
359 BIO 0.8776
360 IGP 0.8776
361 LFN 0.8775
362 KTV 0.8774
363 LLG 0.8772
364 DZ3 0.8771
365 4G2 0.8771
366 1XS 0.8771
367 A5H 0.8770
368 9C8 0.8770
369 205 0.8769
370 A05 0.8769
371 7G0 0.8768
372 4F8 0.8767
373 ICD 0.8764
374 IPJ 0.8764
375 E92 0.8762
376 0FR 0.8761
377 6EN 0.8760
378 7A9 0.8758
379 LMZ 0.8756
380 KOT 0.8755
381 X2M 0.8755
382 5P3 0.8755
383 6B5 0.8755
384 DQH 0.8755
385 1AV 0.8753
386 789 0.8751
387 NAL 0.8750
388 5WS 0.8748
389 BX4 0.8748
390 7FC 0.8747
391 MYU 0.8744
392 DT7 0.8744
393 334 0.8743
394 PRL 0.8743
395 ZHA 0.8742
396 1UA 0.8742
397 ITE 0.8742
398 Q11 0.8739
399 IRH 0.8739
400 B21 0.8739
401 A9B 0.8738
402 SDN 0.8738
403 5EZ 0.8737
404 MJW 0.8737
405 5B2 0.8736
406 AV7 0.8736
407 JL7 0.8735
408 QDR 0.8735
409 2P3 0.8733
410 OSY 0.8733
411 4FF 0.8732
412 IW1 0.8731
413 NXY 0.8731
414 ECZ 0.8730
415 BG8 0.8730
416 SJR 0.8729
417 39Z 0.8729
418 5HG 0.8728
419 PCQ 0.8727
420 JKN 0.8725
421 JSX 0.8719
422 68B 0.8719
423 LC1 0.8719
424 EQU 0.8719
425 WCU 0.8718
426 MT6 0.8717
427 EAT 0.8716
428 0X2 0.8714
429 4UM 0.8713
430 LOT 0.8711
431 15Q 0.8711
432 P1J 0.8710
433 S0D 0.8710
434 72E 0.8709
435 KLS 0.8709
436 NIY 0.8708
437 907 0.8706
438 9EG 0.8705
439 QIV 0.8703
440 NBZ GLA 0.8702
441 JNW 0.8701
442 MQS 0.8701
443 R4E 0.8700
444 3D3 0.8700
445 HPX 0.8699
446 HUL 0.8698
447 72G 0.8697
448 CMP 0.8697
449 BUX 0.8697
450 BGU 0.8697
451 XYP XDN 0.8694
452 IW6 0.8694
453 72H 0.8692
454 6WL 0.8692
455 DNQ 0.8691
456 BGC BGC 0.8691
457 4NR 0.8690
458 GVI 0.8690
459 AO 0.8690
460 D4X 0.8689
461 2D2 0.8688
462 RUG 0.8687
463 PE2 0.8686
464 A51 0.8685
465 IW2 0.8683
466 62D 0.8683
467 DX2 0.8680
468 S60 0.8679
469 HRM 0.8675
470 2UV 0.8674
471 IQW 0.8674
472 108 0.8673
473 K7H 0.8673
474 2M7 0.8671
475 5TO 0.8664
476 UL1 0.8664
477 JMM 0.8661
478 JCZ 0.8661
479 RNP 0.8659
480 VGV 0.8659
481 D25 0.8658
482 RDT 0.8658
483 ML1 0.8654
484 P34 0.8653
485 123 0.8651
486 3K1 0.8651
487 JRO 0.8650
488 2OX 0.8650
489 NFZ 0.8648
490 NE1 0.8647
491 NX1 0.8645
492 DX7 0.8645
493 0XR 0.8645
494 RK4 0.8644
495 ESJ 0.8640
496 KVQ 0.8634
497 DN8 0.8634
498 28A 0.8632
499 CWB 0.8631
500 MI2 0.8630
501 II4 0.8628
502 KVN 0.8628
503 0LA 0.8628
504 6VW 0.8627
505 DZ2 0.8626
506 1UW 0.8623
507 GAL PHB 0.8620
508 0MB 0.8620
509 U55 0.8619
510 JVB 0.8614
511 6C8 0.8614
512 40N 0.8613
513 JTF 0.8613
514 39R 0.8612
515 OT4 0.8612
516 6XC 0.8608
517 FSU 0.8606
518 AQN 0.8604
519 78Y 0.8600
520 A5Q 0.8598
521 CX5 0.8598
522 FL8 0.8595
523 5R9 0.8594
524 3D1 0.8591
525 1FE 0.8591
526 J3Z 0.8589
527 CDX 0.8586
528 CNI 0.8586
529 BUN 0.8585
530 NAB 0.8585
531 NTI 0.8582
532 M9K 0.8582
533 1YL 0.8582
534 1AJ 0.8581
535 6F3 0.8581
536 1EL 0.8580
537 3G5 0.8579
538 A26 0.8576
539 ESZ 0.8575
540 D26 0.8572
541 M16 0.8571
542 CL9 0.8570
543 GZV 0.8565
544 LIG 0.8560
545 E8Z 0.8560
546 CHQ 0.8559
547 5CX 0.8556
548 T98 0.8556
549 5F1 0.8550
550 JFZ 0.8544
551 WV7 0.8543
552 36K 0.8538
553 F5C 0.8535
554 FHI 0.8531
555 CZ0 0.8530
556 7EL 0.8529
557 8SK 0.8520
558 0QV 0.8516
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BNU; Ligand: 9KQ; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4bnu.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z84 CHD 19.1781
Pocket No.: 2; Query (leader) PDB : 4BNU; Ligand: 9KQ; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 4bnu.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5Z84 CHD 19.1781
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