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Receptor
PDB id Resolution Class Description Source Keywords
5JNN 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ABSCISIC ACID RECEPTOR PYL2 IN COMPLEX PHASEIC ACID. ARABIDOPSIS THALIANA ABA RECEPTOR PHASEIC ACID PYR/PYL SIGNALING PROTEIN
Ref.: CO-EVOLUTION OF HORMONE METABOLISM AND SIGNALING NE EXPANDS PLANT ADAPTIVE PLASTICITY. CELL V. 166 881 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
6LM A:800;
Valid;
none;
ic50 = 4504 nM
282.332 C15 H22 O5 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JNN 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF ABSCISIC ACID RECEPTOR PYL2 IN COMPLEX PHASEIC ACID. ARABIDOPSIS THALIANA ABA RECEPTOR PHASEIC ACID PYR/PYL SIGNALING PROTEIN
Ref.: CO-EVOLUTION OF HORMONE METABOLISM AND SIGNALING NE EXPANDS PLANT ADAPTIVE PLASTICITY. CELL V. 166 881 2016
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3KDI - A8S C15 H20 O4 CC1=CC(=O)....
2 3NR4 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
3 5JNN ic50 = 4504 nM 6LM C15 H22 O5 C[C@@H](CC....
4 3NS2 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
5 3NMP - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
6 3NMH - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
7 3NJ0 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
8 3KB0 - A8S C15 H20 O4 CC1=CC(=O)....
9 3NJ1 - P2M C16 H14 N2 O2 S c1ccc2c(c1....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 3KDI - A8S C15 H20 O4 CC1=CC(=O)....
2 3NR4 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
3 5JNN ic50 = 4504 nM 6LM C15 H22 O5 C[C@@H](CC....
4 3NS2 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
5 3NMP - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
6 3NMH - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
7 3NJ0 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
8 3KB0 - A8S C15 H20 O4 CC1=CC(=O)....
9 3NJ1 - P2M C16 H14 N2 O2 S c1ccc2c(c1....
10 4DSC - A8S C15 H20 O4 CC1=CC(=O)....
11 3OJI - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3KDI - A8S C15 H20 O4 CC1=CC(=O)....
2 3NR4 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
3 5JNN ic50 = 4504 nM 6LM C15 H22 O5 C[C@@H](CC....
4 3NS2 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
5 3NMP - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
6 3NMH - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
7 3NJ0 - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
8 3KB0 - A8S C15 H20 O4 CC1=CC(=O)....
9 3NJ1 - P2M C16 H14 N2 O2 S c1ccc2c(c1....
10 5MOB Kd = 90 uM A8S C15 H20 O4 CC1=CC(=O)....
11 3W9R Kd = 0.66 uM A8S C15 H20 O4 CC1=CC(=O)....
12 3WG8 - 6AS C21 H32 O4 S CCCCCCSC1=....
13 3K3K - A8S C15 H20 O4 CC1=CC(=O)....
14 3K90 - A8S C15 H20 O4 CC1=CC(=O)....
15 5YGV - 8V6 C25 H30 O4 Cc1ccc(cc1....
16 3NJO - P2M C16 H14 N2 O2 S c1ccc2c(c1....
17 5UR5 - 8KP C18 H20 N2 O2 S CCc1cc(cc(....
18 5UR6 ic50 = 87 nM 8KM C18 H18 N2 O2 S Cc1ccc(cc1....
19 3NEF - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
20 3JRS Kd = 52 uM A8S C15 H20 O4 CC1=CC(=O)....
21 4DSC - A8S C15 H20 O4 CC1=CC(=O)....
22 3OJI - PYV C16 H13 Br N2 O2 S c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 6LM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6LM 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JNN; Ligand: 6LM; Similar sites found with APoc: 255
This union binding pocket(no: 1) in the query (biounit: 5jnn.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 2GBB CIT None
2 1NU4 MLA None
3 5WZU 7W3 None
4 1DTL BEP None
5 1MID LAP None
6 2UXI G50 None
7 5AIG VPR None
8 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
9 3GM5 CIT None
10 4EES FMN None
11 3KP6 SAL None
12 4XF6 ADP None
13 4XF6 INS None
14 4XF6 LIP None
15 4WG0 CHD None
16 4JNJ BTN None
17 3PMA SCR None
18 1SWG BTN 1.5625
19 1OFZ FUL 1.57895
20 1YKD CMP 1.57895
21 1SBR VIB 1.57895
22 2IDO TMP 1.6129
23 4RP9 ASC 2.10526
24 3HP9 CF1 2.10526
25 2C91 TLA 2.10526
26 1J3R 6PG 2.10526
27 5O5Y GLC 2.10526
28 5NDB 8TW 2.10526
29 5UC1 486 2.10526
30 5UGW GSH 2.28571
31 5M36 9SZ 2.63158
32 4C2W ANP 2.63158
33 3X27 TRP 2.63158
34 4YZ5 SLT 2.63158
35 4L80 OXL 2.63158
36 2V95 HCY 2.63158
37 1T27 PCW 2.63158
38 5LWY OLB 2.80374
39 1OW4 2AN 3.10078
40 6A0S NDP 3.15789
41 4TV1 36M 3.15789
42 1R6N 434 3.15789
43 3I27 SID 3.15789
44 2BHW NEX 3.15789
45 4MGA 27L 3.15789
46 1GVE CIT 3.15789
47 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 3.15789
48 4MGB XDH 3.15789
49 5U97 PIT 3.15789
50 5MEX SZZ 3.15789
51 2ET1 GLV 3.15789
52 4RQL SNE 3.15789
53 3UUA 0CZ 3.15789
54 5AHS COA 3.15789
55 5DXG EST 3.15789
56 1W2D ADP 3.15789
57 4MGD 27N 3.15789
58 5ODT ADP 3.15789
59 5NW7 9C2 3.15789
60 5DX3 EST 3.15789
61 3I4X DST 3.15789
62 5WGQ EST 3.15789
63 5DXE EST 3.15789
64 2VK2 GZL 3.15789
65 3KU0 ADE 3.15789
66 5HYR EST 3.15789
67 3UUD EST 3.15789
68 2BP1 FLC 3.15789
69 6D6W GCU 3.15789
70 5IHE D5M 3.15789
71 2VRQ XYP XYP AHR 3.15789
72 2QA8 GEN 3.15789
73 5TFZ 7BC 3.33333
74 5U9J GER 3.5503
75 5W7B MYR 3.68421
76 4U0S ADP 3.68421
77 2QUN FUD 3.68421
78 4H2X G5A 3.68421
79 1WEI ADE 3.68421
80 4H2W AMP 3.68421
81 3RE4 TO1 3.68421
82 4GCZ FMN 3.68421
83 2ZCQ B65 3.68421
84 2QES ADE 3.68421
85 1OGX EQU 3.81679
86 3TDC 0EU 4.21053
87 6F6D AKG 4.21053
88 4MRP GSH 4.21053
89 1DKF OLA 4.21053
90 3NJ4 AFX 4.21053
91 3ETG GWD 4.21053
92 6ACS CIT 4.21053
93 5WS9 ATP 4.21053
94 2IF8 ADP 4.21053
95 5GNX BGC 4.21053
96 6F3G CJN 4.21053
97 4TVD BGC 4.21053
98 5LX9 OLB 4.22535
99 2WCV FUC 4.28571
100 1ONI BEZ 4.34783
101 2W9S TOP 4.34783
102 5UN9 NHT 4.73684
103 2WEL K88 4.73684
104 2WKQ FMN 4.73684
105 6FTB M0E 4.73684
106 5EY0 GTP 4.73684
107 4DNJ ANN 4.73684
108 5FWE OGA 4.73684
109 5LY2 OGA 4.73684
110 2VN9 GVD 4.73684
111 4TQ3 GPP 4.73684
112 5KO1 6UY 4.73684
113 1Q3A NGH 4.84848
114 6CB2 OLC 5.26316
115 1V8B ADN 5.26316
116 4BXF AKG 5.26316
117 4BLW AMP 5.26316
118 3BZ3 YAM 5.26316
119 2YJD YJD 5.26316
120 4D4U FUC NDG GAL FUC 5.26316
121 4J24 EST 5.26316
122 3O7U O7U 5.26316
123 2PR5 FMN 5.30303
124 2HFK E4H 5.78947
125 3B99 U51 5.78947
126 4GNC ASO 5.78947
127 5A3T MMK 5.78947
128 3HCN CHD 5.78947
129 4H9T HL4 5.78947
130 6CGN DA 5.78947
131 3OPT AKG 5.78947
132 3WW2 SF6 5.78947
133 3WW2 LPK 5.78947
134 4Y3O OGA 5.78947
135 2ARC ARA 6.09756
136 2R0H CTO 6.09756
137 3N7S 3N7 6.25
138 4Z1D PEP 6.31579
139 4F06 PHB 6.31579
140 3FAL REA 6.31579
141 2PZI AXX 6.31579
142 4MLN ODV 6.31579
143 5M4Q PRO 6.31579
144 1NSA BEN 6.31579
145 1EB9 HBA 6.31579
146 2VOT NHV 6.31579
147 2BCG GER 6.31579
148 2ZJ1 ARJ 6.31579
149 2ZJ1 NAD 6.31579
150 1XMY ROL 6.31579
151 1QW9 KHP 6.31579
152 4Y0X ADP 6.31579
153 4B1M FRU FRU 6.48649
154 1I06 TZL 6.66667
155 4D1J DGJ 6.84211
156 4YMJ 4EJ 6.84211
157 5JZJ AN2 6.84211
158 1OYJ GSH 6.84211
159 4RF7 ARG 6.84211
160 6H8S FSZ 6.84211
161 3DLS ADP 6.84211
162 6GBV FMN 6.84932
163 1QY1 PRZ 6.89655
164 1RL4 BL5 6.91489
165 2YIP YIO 7.24638
166 4B1L FRU 7.27273
167 3CV2 OXL 7.36842
168 5AVF TAU 7.36842
169 1ZED PNP 7.36842
170 3X01 AMP 7.36842
171 4WGF HX2 7.36842
172 2HFP NSI 7.36842
173 5BVS EIC 7.57576
174 6C5F 7L9 7.69231
175 3T50 FMN 7.8125
176 2CHT TSA 7.87402
177 3SUT OAN 7.89474
178 4DC2 ADE 7.89474
179 4Q9N 0WE 7.89474
180 5C1M OLC 8
181 4A34 FUL 8.16327
182 6CAY ERG 8.28402
183 2XN3 ID8 8.42105
184 4OB6 S2T 8.42105
185 3ZJX BOG 8.42105
186 3HPY MCT 8.42105
187 4YFB PAC 8.42105
188 1I82 BGC BGC 8.46561
189 1SGJ OAA 8.94737
190 4BCM T7Z 8.94737
191 3ZXE PGZ 9.02256
192 2Y9G LBT 9.33333
193 2Y9G LAT 9.33333
194 4A38 BZS 9.47368
195 1I7E IBS 9.47368
196 4QDC ASD 9.47368
197 1C1L GAL BGC 9.48905
198 1ZGA HMK 10
199 3T7V MD0 10
200 1CHM CMS 10
201 3CMJ SRT 10
202 5Z9S BGC 10
203 1Y75 NAG 10.1695
204 1YUC EPH 10.5263
205 5JSP DQY 10.5263
206 1POT SPD 10.5263
207 4R78 AMP 10.5263
208 3SAO NKN 10.625
209 3SAO DBH 10.625
210 4OGQ 7PH 10.8108
211 3GGF GVD 10.9635
212 3QP4 HL0 10.989
213 5T9C G3P 11.0526
214 4RD0 GDP 11.0526
215 3FYP PEP 11.5789
216 5HCN DAO 11.5789
217 1F52 ADP 11.5789
218 3A51 VDY 11.5789
219 5TVM PUT 11.7647
220 3TL1 JRO 11.9497
221 4CNO 9PY 12.1053
222 5Y02 MXN 12.1495
223 5Y02 HBX 12.1495
224 1SQL GUN 12.3288
225 1J78 OLA 12.6316
226 4WOE ADP 12.6316
227 5VGS 9A4 12.7389
228 5VGS 9A7 12.7389
229 1OYF MHN 14.0496
230 2X05 X05 14.2105
231 3QP8 HL0 14.6739
232 4BFM ANP 14.7368
233 2GJ5 VD3 14.8148
234 3RET SAL 14.8515
235 3RET PYR 14.8515
236 4O4Z N2O 14.9351
237 2V7O DRN 17.8947
238 1WMA AB3 18.4211
239 3GC0 AMP 18.4211
240 2E40 LGC 18.9474
241 4QCK ASD 18.9474
242 2OZ5 7XY 19.4737
243 5Z84 CHD 19.5652
244 5ZCO CHD 19.5652
245 5W97 CHD 19.5652
246 2UW1 GVM 21.0526
247 4PSB GA3 22.5806
248 1VRP ADP 24.2105
249 6D5J FV4 26.8421
250 6D5H FV7 26.8421
251 6D5M FW4 26.8421
252 6D59 FVJ 26.8421
253 6D5E FVG 26.8421
254 2Y69 CHD 27.1429
255 3HQR OGA 41.1765
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