Receptor
PDB id Resolution Class Description Source Keywords
5DTB 1.84 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE DROSOPHILA CG3822 KAIR1D LIGAND BIN DOMAIN COMPLEX WITH GLUTAMATE DROSOPHILA MELANOGASTER MEMBRANE PROTEIN
Ref.: NOVEL FUNCTIONAL PROPERTIES OF DROSOPHILA CNS GLUTA RECEPTORS. NEURON V. 92 1036 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:303;
A:302;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
GLU B:301;
A:301;
 Valid;
Valid;
 none;
none;
 submit data
147.129 C5 H9 N O4 C(CC(...
NA B:302;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EHS 1.75 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE DROSOPHILA CG3822 KAIR1D LIGAND BIN DOMAIN COMPLEX WITH D-AP5 DROSOPHILA MELANOGASTER, DROSOPHILA GRORGANISM_COMMON: FRUIT FLY MEMBRANE PROTEIN
Ref.: NOVEL FUNCTIONAL PROPERTIES OF DROSOPHILA CNS GLUTA RECEPTORS. NEURON V. 92 1036 2016
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5EHM - OEM C5 H9 N O4 CN[C@H](CC....
2 5EHS - 2JJ C5 H12 N O5 P C(C[C@H](C....
3 5DTB - GLU C5 H9 N O4 C(CC(=O)O)....
70% Homology Family (257)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 4O3B Ki = 0.82 uM GLU C5 H9 N O4 C(CC(=O)O)....
2 5CBS Kd = 3.9 uM E42 C15 H15 N O3 c1cc(cc(c1....
3 3PD8 Ki = 108 nM HA7 C7 H8 N2 O4 C1CN[C@@H]....
4 1P1O Kd = 1.74 uM QUS C5 H7 N3 O5 C([C@@H](C....
5 1MQH ic50 = 0.3 uM BWD C7 H8 Br N3 O4 C1=C(C(=O)....
6 1FTK ic50 = 14.5 uM KAI C10 H15 N O4 CC(=C)[C@H....
7 3TKD - CYZ C14 H16 Cl N3 O4 S2 c1c2c(cc(c....
8 1M5F ic50 = 14.8 nM AM1 C8 H10 N2 O5 Cc1c(c(no1....
9 5FTI - GLU C5 H9 N O4 C(CC(=O)O)....
10 1XHY Ki = 624 nM KAI C10 H15 N O4 CC(=C)[C@H....
11 1M5C ic50 = 0.5 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
12 1SYI Ki = 3330 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
13 5O9A - 7M6 C9 H10 Cl F N2 O2 S c1cc2c(cc1....
14 1MY3 - BWD C7 H8 Br N3 O4 C1=C(C(=O)....
15 3ILU - HFZ C8 H8 F3 N3 O4 S2 c1c(c(cc2c....
16 3PMV - 557 C17 H22 F3 N3 O3 S C[C@H](CNS....
17 5H8S - 5YC C15 H16 N4 O S CCN(CC1=CC....
18 6HC9 - FXW C22 H26 N4 O4 S2 c1cc2c(cc1....
19 6YK3 Ki = 17.5 uM PVQ C9 H12 N4 O4 C1C2=C(CN1....
20 2XHD - GLU C5 H9 N O4 C(CC(=O)O)....
21 3B7D - CNI C9 H2 N4 O4 C1=C(C(=CC....
22 4U1Z - KAI C10 H15 N O4 CC(=C)[C@H....
23 1WVJ Ki = 185 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
24 1P1U - AMQ C7 H10 N2 O4 Cc1c(c(no1....
25 4Q30 - NWD C7 H8 N4 O6 C1=C(C(=O)....
26 6YK2 Ki = 0.762 uM CGW C9 H11 N3 O4 S C1C2=C(CS1....
27 4U23 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
28 6Q60 - HJH C6 H10 N4 O3 Cn1nc(c(n1....
29 1MQG ic50 = 0.52 uM IWD C7 H8 I N3 O4 C1=C(C(=O)....
30 3BBR - BHY C20 H28 N2 O4 S2 C[C@@H](CN....
31 3LSF - PZI C6 H10 N2 O2 C1CC(=O)N(....
32 3PMX - 808 C18 H20 F3 N O3 S CC(C)S(=O)....
33 2ANJ - KAI C10 H15 N O4 CC(=C)[C@H....
34 2XX8 - 1NE C17 H18 F3 N3 O CN(C)C(=O)....
35 1P1Q Kd = 12.8 uM AMQ C7 H10 N2 O4 Cc1c(c(no1....
36 2AL5 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
37 5YBG ic50 = 0.03 uM 8SO C21 H30 N2 O4 S2 C[C@@H](CN....
38 1M5E ic50 = 20.1 nM AM1 C8 H10 N2 O5 Cc1c(c(no1....
39 3BKI ic50 = 7.6 uM FQX C8 H4 N4 O4 c1c2c(cc3c....
40 2AIX - U1K C10 H16 N2 O3 S CC(C)(C)c1....
41 3B6W - GLU C5 H9 N O4 C(CC(=O)O)....
42 2I3W - GLU C5 H9 N O4 C(CC(=O)O)....
43 3O6H - O25 C18 H22 F3 N5 O2 S CCNCc1cn(n....
44 6HCC - GLU C5 H9 N O4 C(CC(=O)O)....
45 3KGC - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
46 3BFU Ki = 531 nM R2P C5 H7 N3 O3 S C(c1c(nsn1....
47 3UA8 ic50 = 14 nM 08W C15 H13 F3 N6 O5 S CNC(=O)c1c....
48 4LZ7 - GLU C5 H9 N O4 C(CC(=O)O)....
49 1FTL ic50 = 998 nM DNQ C8 H2 N4 O6 C1=C(C(=CC....
50 3B6Q - GLU C5 H9 N O4 C(CC(=O)O)....
51 3RN8 - RN8 C22 H16 N2 O4 S2 CCc1c(c(c(....
52 1P1W - AMQ C7 H10 N2 O4 Cc1c(c(no1....
53 1MQI ic50 = 23.53 nM FWD C7 H8 F N3 O4 C1=C(C(=O)....
54 3O29 - O29 C23 H30 F3 N5 O2 S CN(C)CCNC(....
55 1FTJ ic50 = 821 nM GLU C5 H9 N O4 C(CC(=O)O)....
56 3PD9 Ki = 494 nM HA5 C7 H8 N2 O4 C1c2c(onc2....
57 1M5B ic50 = 9.7 nM BN1 C8 H10 N6 O4 Cn1nc(nn1)....
58 6HCA - FXW C22 H26 N4 O4 S2 c1cc2c(cc1....
59 3EN3 - KAI C10 H15 N O4 CC(=C)[C@H....
60 1SYH Ki = 393 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
61 4X48 - XPF C18 H20 N2 O4 S2 CC(C)S(=O)....
62 3H6W - NS7 C19 H29 N3 O4 S2 Cc1cc2c(cc....
63 1MY4 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
64 4IGT Kd = 12.8 nM 3ZA C9 H16 N2 O6 CN(C(=O)CC....
65 3M3L - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
66 6GL4 - GLU C5 H9 N O4 C(CC(=O)O)....
67 5CBR Kd = 1.8 uM 4ZK C14 H12 Cl2 N2 O3 c1c(cc(c(c....
68 4GXS - 0YS C18 H21 Cl2 N3 O9 c1c(cc(c(c....
69 4U21 - FWF C24 H36 N2 O4 S2 C[C@@H](CN....
70 4YMA - 4E5 C12 H13 N O5 c1c(cc(cc1....
71 1FW0 - KAI C10 H15 N O4 CC(=C)[C@H....
72 1LB8 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
73 3FAS Ki = 171 nM GLU C5 H9 N O4 C(CC(=O)O)....
74 4U22 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
75 6FQJ - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
76 4ISU Ki = 0.21 mM IKM C12 H14 N2 O6 C1C=C[C@H]....
77 1MXU ic50 = 4 uM BWD C7 H8 Br N3 O4 C1=C(C(=O)....
78 4U4X Kd = 9.8 uM 3C2 C8 H11 N3 O2 S CCN1CNS(=O....
79 1MM7 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
80 2XX9 - 1NF C19 H19 F4 N3 O c1cc(c(cc1....
81 3M3K - GLU C5 H9 N O4 C(CC(=O)O)....
82 2XXH - 1NG C20 H22 F3 N3 O c1cc(ccc1C....
83 5ZG3 Ki = 0.061 uM 9C6 C19 H16 N2 O3 S c1ccc(cc1)....
84 5FHM - 5XP C15 H17 N7 O4 c1cc(cc(c1....
85 4N07 Kd = 0.35 uM 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
86 3IJO - GLU C5 H9 N O4 C(CC(=O)O)....
87 3RNN - RNN C16 H28 N2 O4 S2 CC(C)S(=O)....
88 2AL4 - QUS C5 H7 N3 O5 C([C@@H](C....
89 4LZ5 - GLU C5 H9 N O4 C(CC(=O)O)....
90 4U4S Kd = 1200 uM 3C1 C8 H11 N3 O2 S CCN1CNS(=O....
91 4G8M Kd = 12.8 nM G8M C7 H11 N O4 C1C[C@@H](....
92 3H6T - CYZ C14 H16 Cl N3 O4 S2 c1c2c(cc(c....
93 3O6G - O27 C23 H28 F3 N5 O2 S C1CCc2c(c(....
94 1NNP - CE2 C10 H15 N2 O4 CC(C)(C)c1....
95 5YBF Kd = 543 nM 8SR C16 H17 F3 N4 O2 S Cc1cc(nn1C....
96 1P1N Kd = 0.16 uM KAI C10 H15 N O4 CC(=C)[C@H....
97 1M5D ic50 = 9.2 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
98 5ZG1 Ki = 0.019 uM 9C0 C17 H20 N2 O2 S CC(C)(C)c1....
99 3IK6 - GLU C5 H9 N O4 C(CC(=O)O)....
100 2XXI - JAC C18 H18 F3 N3 O2 c1cc(ccc1C....
101 4O3A Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
102 3B6T - QUS C5 H7 N3 O5 C([C@@H](C....
103 6GIV - GLU C5 H9 N O4 C(CC(=O)O)....
104 4FAT - GLU C5 H9 N O4 C(CC(=O)O)....
105 3H6U - NS3 C18 H28 N4 O4 S2 Cc1cc2c(cc....
106 1NNK ic50 = 3.5 uM CE2 C10 H15 N2 O4 CC(C)(C)c1....
107 3FAT Kd = 22.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
108 3T9X - GLU C5 H9 N O4 C(CC(=O)O)....
109 1MY2 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
110 3ILT - TRU C8 H8 Cl3 N3 O4 S2 c1c2c(cc(c....
111 3O6I - O26 C20 H29 N5 O2 S CC(C)(C)c1....
112 3DLN - GLU C5 H9 N O4 C(CC(=O)O)....
113 3RTW - NWD C7 H8 N4 O6 C1=C(C(=O)....
114 1MQD ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
115 3T93 - GLU C5 H9 N O4 C(CC(=O)O)....
116 6Q54 - HJ8 C7 H12 N4 O3 CCn1c(c(nn....
117 6YK6 Ki = 135 uM OUB C9 H9 N3 O5 c1c2c(co1)....
118 6HCB - D45 C18 H22 N4 O4 S2 CN1CNS(=O)....
119 4F29 Ki = 0.168 uM QUS C5 H7 N3 O5 C([C@@H](C....
120 1MS7 ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
121 3R7X ic50 = 0.082 uM QSN C12 H10 N6 O6 S CS(=O)(=O)....
122 3BFT Ki = 323 nM S2P C5 H7 N3 O3 S C(c1c(nsn1....
123 6FQH - E2Q C12 H8 N4 O6 S c1cc2c(c(c....
124 5JEI - FWD C7 H8 F N3 O4 C1=C(C(=O)....
125 3O28 - O28 C19 H21 F3 N4 O2 S C1CCc2c(c(....
126 4IY6 - MQS C15 H17 N3 O C[C@H]1CCC....
127 3LSL - PZI C6 H10 N2 O2 C1CC(=O)N(....
128 2XX7 - 1ND C19 H20 F3 N3 O c1cc(ccc1C....
129 1FTM Kd = 24.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
130 2GFE - GLU C5 H9 N O4 C(CC(=O)O)....
131 4F31 Ki = 2.08 uM KAI C10 H15 N O4 CC(=C)[C@H....
132 5ZG2 - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
133 3T9U - CNI C9 H2 N4 O4 C1=C(C(=CC....
134 3T96 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
135 3KFM - KAI C10 H15 N O4 CC(=C)[C@H....
136 6YK5 Ki = 4.73 uM PVK C9 H11 N3 O5 C1C2=C(CO1....
137 2I3V - GLU C5 H9 N O4 C(CC(=O)O)....
138 3T9H - KAI C10 H15 N O4 CC(=C)[C@H....
139 3PMW - G69 C18 H22 F3 N3 O3 S CC(C)S(=O)....
140 3H6V - NS6 C18 H27 N3 O4 S2 CN1CCN(CC1....
141 1LBB - KAI C10 H15 N O4 CC(=C)[C@H....
142 5BUU - 4V6 C10 H13 Cl N2 O2 S C[C@@H]1N(....
143 3H03 ic50 = 135 uM UBP C10 H13 N3 O6 C1=CN(C(=O....
144 6FQK - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
145 1LB9 - DNQ C8 H2 N4 O6 C1=C(C(=CC....
146 1N0T ic50 = 12.2 uM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
147 5ZG0 Ki = 0.082 uM 9C3 C16 H18 N2 O3 S CC(C)Oc1cc....
148 3T9V - CNI C9 H2 N4 O4 C1=C(C(=CC....
149 1GR2 - KAI C10 H15 N O4 CC(=C)[C@H....
150 5OEW - GLU C5 H9 N O4 C(CC(=O)O)....
151 3IL1 - GLU C5 H9 N O4 C(CC(=O)O)....
152 3DP6 - GLU C5 H9 N O4 C(CC(=O)O)....
153 4O3C Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
154 3RTF - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
155 6FAZ - GLU C5 H9 N O4 C(CC(=O)O)....
156 1MM6 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
157 4F3G Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
158 4IY5 - GLU C5 H9 N O4 C(CC(=O)O)....
159 4F39 Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
160 5FHO - 5XN C14 H14 Cl N6 O4 c1cc(cc(c1....
161 6HCH - D45 C18 H22 N4 O4 S2 CN1CNS(=O)....
162 2P2A Ki = 0.75 uM MP9 C14 H14 N6 O4 c1ccc(cc1)....
163 3TZA Ki = 3.15 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
164 5NIH Ki = 134 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
165 3O2A - O30 C22 H28 F3 N5 O2 S C1CCc2c(c(....
166 4LZ8 - 1YX C19 H27 F N4 O4 S CC(C)S(=O)....
167 1MQJ ic50 = 4.76 uM HWD C7 H9 N3 O4 C1=CN(C(=O....
168 5NG9 Ki = 191 nM 8VN C7 H8 N2 O5 C1[C@H]2[C....
169 5NS9 - GLU C5 H9 N O4 C(CC(=O)O)....
170 4F1Y Kd = 0.96 uM CNI C9 H2 N4 O4 C1=C(C(=CC....
171 5ELV Kd = 0.16 uM 5PX C10 H12 N2 O3 S c1cc2c(cc1....
172 6YK4 Ki = 7.89 uM CG8 C10 H14 N4 O4 CN1CC2=C(C....
173 4U1O - KAI C10 H15 N O4 CC(=C)[C@H....
174 1LBC - GLU C5 H9 N O4 C(CC(=O)O)....
175 3TDJ - GLU C5 H9 N O4 C(CC(=O)O)....
176 5FHN - 5XO C15 H16 N6 O4 Cc1cccc(c1....
177 4QF9 Ki = 37.1 uM 35K C12 H13 N3 O4 c1cc2c(cc1....
178 1TXF Ki = 57.2 nM GLU C5 H9 N O4 C(CC(=O)O)....
179 3GBB Ki = 126 nM MS8 C11 H17 N O6 C1C[C@@H]2....
180 5MFQ - 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
181 3FVN Ki = 169 nM 9DX C11 H17 N O7 C1CO[C@@H]....
182 1YCJ - GLU C5 H9 N O4 C(CC(=O)O)....
183 3C35 - KAI C10 H15 N O4 CC(=C)[C@H....
184 5MFW - KAI C10 H15 N O4 CC(=C)[C@H....
185 3C31 - KAI C10 H15 N O4 CC(=C)[C@H....
186 3FV1 Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
187 3C34 - KAI C10 H15 N O4 CC(=C)[C@H....
188 2F36 - GLU C5 H9 N O4 C(CC(=O)O)....
189 3GBA Ki = 0.848 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
190 6SBT Ki = 43 nM L5H C19 H12 F3 N5 O3 c1ccc(cc1)....
191 3FV2 Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
192 2QS4 Kd = 38 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
193 2QS3 Kd = 1.4 nM UBE C20 H19 N3 O6 S CC1=CN(C(=....
194 2OJT - UBA C14 H15 N3 O6 S CC1=CN(C(=....
195 3C33 - KAI C10 H15 N O4 CC(=C)[C@H....
196 2WKY Ki = 2.57 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
197 2PBW Ki = 5.56 nM DOQ C15 H21 N O6 C[C@H](C=C....
198 4YMB Ki = 0.62 uM 4E7 C15 H19 N O4 CCC[C@@H]1....
199 6FZ4 Ki = 1.12 uM EC8 C16 H9 F4 N3 O4 c1ccc(c(c1....
200 3FVG Ki = 128 nM MS8 C11 H17 N O6 C1C[C@@H]2....
201 3C36 - KAI C10 H15 N O4 CC(=C)[C@H....
202 2F34 Kd = 0.13 uM UBA C14 H15 N3 O6 S CC1=CN(C(=....
203 3C32 - KAI C10 H15 N O4 CC(=C)[C@H....
204 2QS2 Kd = 186 nM UBF C13 H12 Br N3 O6 S c1csc(c1CN....
205 4DLD Ki = 1.5 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
206 3FVK Ki = 1.5 nM 8DX C11 H17 N O7 C1[C@@H](C....
207 2ZNU Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
208 3S2V Ki = 157 nM 3HU C15 H13 N3 O6 S2 c1csc(c1CN....
209 2QS1 Kd = 33 nM UB1 C14 H13 Br2 N3 O6 S CC1=CN(C(=....
210 4E0X - KAI C10 H15 N O4 CC(=C)[C@H....
211 5MFV - KAI C10 H15 N O4 CC(=C)[C@H....
212 2ZNT Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
213 2F35 Kd = 3.94 uM UBC C15 H15 N3 O6 c1ccc(c(c1....
214 5NEB Ki = 17 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
215 1VSO Ki = 18980 nM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
216 6JMV - SYM C6 H10 N O4 C[C@H](C[C....
217 4MH5 Ki = 7.43 uM GGL C5 H9 N O4 C(CC(=O)O)....
218 3U92 - KAI C10 H15 N O4 CC(=C)[C@H....
219 4E0W - KAI C10 H15 N O4 CC(=C)[C@H....
220 5O4F Ki = 208 uM 8VE C8 H11 N3 O4 CN1[C@H]2C....
221 4NWC Ki = 1.74 uM 2QE C9 H15 N O6 COC(=O)CC[....
222 4G8N Kd = 63 nM G8M C7 H11 N O4 C1C[C@@H](....
223 6F28 Ki = 2.15 uM CG8 C10 H14 N4 O4 CN1CC2=C(C....
224 5EHM - OEM C5 H9 N O4 CN[C@H](CC....
225 5EHS - 2JJ C5 H12 N O5 P C(C[C@H](C....
226 5DTB - GLU C5 H9 N O4 C(CC(=O)O)....
227 4F2O Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
228 3DP4 Kd = 43 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
229 4F22 Ki = 30.26 uM KAI C10 H15 N O4 CC(=C)[C@H....
230 4F3B Ki = 1.271 uM GLU C5 H9 N O4 C(CC(=O)O)....
231 4F2Q Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
232 3RT8 - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
233 3M3F - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
234 3LSX - PZI C6 H10 N2 O2 C1CC(=O)N(....
235 3LSW - GLU C5 H9 N O4 C(CC(=O)O)....
236 4H8I - 11W C20 H21 N3 O4 c1ccc(cc1)....
237 4BDQ - CYS C3 H7 N O2 S C([C@@H](C....
238 2XXW - GLU C5 H9 N O4 C(CC(=O)O)....
239 1SD3 - SYM C6 H10 N O4 C[C@H](C[C....
240 2XXX - GLU C5 H9 N O4 C(CC(=O)O)....
241 2XXR - GLU C5 H9 N O4 C(CC(=O)O)....
242 3QXM Ki = 33 nM NDZ C11 H17 N O8 C1[C@@H]2[....
243 1S9T Ki = 253 nM QUS C5 H7 N3 O5 C([C@@H](C....
244 4BDR - KAI C10 H15 N O4 CC(=C)[C@H....
245 2XXT - KAI C10 H15 N O4 CC(=C)[C@H....
246 5CMM - SYM C6 H10 N O4 C[C@H](C[C....
247 2XXU - GLU C5 H9 N O4 C(CC(=O)O)....
248 4BDN - GLU C5 H9 N O4 C(CC(=O)O)....
249 1S50 Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
250 2XXV - KAI C10 H15 N O4 CC(=C)[C@H....
251 5CMK ic50 = 30 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
252 4BDL - GLU C5 H9 N O4 C(CC(=O)O)....
253 1S7Y Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
254 1TT1 Ki = 64.6 nM KAI C10 H15 N O4 CC(=C)[C@H....
255 5IKB Kd = 1.9 nM KAI C10 H15 N O4 CC(=C)[C@H....
256 5DT6 - GLU C5 H9 N O4 C(CC(=O)O)....
257 5ICT - GLU C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (264)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 4O3B Ki = 0.82 uM GLU C5 H9 N O4 C(CC(=O)O)....
2 5CBS Kd = 3.9 uM E42 C15 H15 N O3 c1cc(cc(c1....
3 3PD8 Ki = 108 nM HA7 C7 H8 N2 O4 C1CN[C@@H]....
4 1P1O Kd = 1.74 uM QUS C5 H7 N3 O5 C([C@@H](C....
5 1MQH ic50 = 0.3 uM BWD C7 H8 Br N3 O4 C1=C(C(=O)....
6 1FTK ic50 = 14.5 uM KAI C10 H15 N O4 CC(=C)[C@H....
7 3TKD - CYZ C14 H16 Cl N3 O4 S2 c1c2c(cc(c....
8 1M5F ic50 = 14.8 nM AM1 C8 H10 N2 O5 Cc1c(c(no1....
9 5FTI - GLU C5 H9 N O4 C(CC(=O)O)....
10 1XHY Ki = 624 nM KAI C10 H15 N O4 CC(=C)[C@H....
11 1M5C ic50 = 0.5 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
12 1SYI Ki = 3330 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
13 5O9A - 7M6 C9 H10 Cl F N2 O2 S c1cc2c(cc1....
14 1MY3 - BWD C7 H8 Br N3 O4 C1=C(C(=O)....
15 3ILU - HFZ C8 H8 F3 N3 O4 S2 c1c(c(cc2c....
16 3PMV - 557 C17 H22 F3 N3 O3 S C[C@H](CNS....
17 5H8S - 5YC C15 H16 N4 O S CCN(CC1=CC....
18 6HC9 - FXW C22 H26 N4 O4 S2 c1cc2c(cc1....
19 6YK3 Ki = 17.5 uM PVQ C9 H12 N4 O4 C1C2=C(CN1....
20 2XHD - GLU C5 H9 N O4 C(CC(=O)O)....
21 3B7D - CNI C9 H2 N4 O4 C1=C(C(=CC....
22 4U1Z - KAI C10 H15 N O4 CC(=C)[C@H....
23 1WVJ Ki = 185 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
24 1P1U - AMQ C7 H10 N2 O4 Cc1c(c(no1....
25 4Q30 - NWD C7 H8 N4 O6 C1=C(C(=O)....
26 6YK2 Ki = 0.762 uM CGW C9 H11 N3 O4 S C1C2=C(CS1....
27 4U23 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
28 6Q60 - HJH C6 H10 N4 O3 Cn1nc(c(n1....
29 1MQG ic50 = 0.52 uM IWD C7 H8 I N3 O4 C1=C(C(=O)....
30 3BBR - BHY C20 H28 N2 O4 S2 C[C@@H](CN....
31 3LSF - PZI C6 H10 N2 O2 C1CC(=O)N(....
32 3PMX - 808 C18 H20 F3 N O3 S CC(C)S(=O)....
33 2ANJ - KAI C10 H15 N O4 CC(=C)[C@H....
34 2XX8 - 1NE C17 H18 F3 N3 O CN(C)C(=O)....
35 1P1Q Kd = 12.8 uM AMQ C7 H10 N2 O4 Cc1c(c(no1....
36 2AL5 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
37 5YBG ic50 = 0.03 uM 8SO C21 H30 N2 O4 S2 C[C@@H](CN....
38 1M5E ic50 = 20.1 nM AM1 C8 H10 N2 O5 Cc1c(c(no1....
39 3BKI ic50 = 7.6 uM FQX C8 H4 N4 O4 c1c2c(cc3c....
40 2AIX - U1K C10 H16 N2 O3 S CC(C)(C)c1....
41 3B6W - GLU C5 H9 N O4 C(CC(=O)O)....
42 2I3W - GLU C5 H9 N O4 C(CC(=O)O)....
43 3O6H - O25 C18 H22 F3 N5 O2 S CCNCc1cn(n....
44 6HCC - GLU C5 H9 N O4 C(CC(=O)O)....
45 3KGC - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
46 3BFU Ki = 531 nM R2P C5 H7 N3 O3 S C(c1c(nsn1....
47 3UA8 ic50 = 14 nM 08W C15 H13 F3 N6 O5 S CNC(=O)c1c....
48 4LZ7 - GLU C5 H9 N O4 C(CC(=O)O)....
49 1FTL ic50 = 998 nM DNQ C8 H2 N4 O6 C1=C(C(=CC....
50 3B6Q - GLU C5 H9 N O4 C(CC(=O)O)....
51 3RN8 - RN8 C22 H16 N2 O4 S2 CCc1c(c(c(....
52 1P1W - AMQ C7 H10 N2 O4 Cc1c(c(no1....
53 1MQI ic50 = 23.53 nM FWD C7 H8 F N3 O4 C1=C(C(=O)....
54 3O29 - O29 C23 H30 F3 N5 O2 S CN(C)CCNC(....
55 1FTJ ic50 = 821 nM GLU C5 H9 N O4 C(CC(=O)O)....
56 3PD9 Ki = 494 nM HA5 C7 H8 N2 O4 C1c2c(onc2....
57 1M5B ic50 = 9.7 nM BN1 C8 H10 N6 O4 Cn1nc(nn1)....
58 6HCA - FXW C22 H26 N4 O4 S2 c1cc2c(cc1....
59 3EN3 - KAI C10 H15 N O4 CC(=C)[C@H....
60 1SYH Ki = 393 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
61 4X48 - XPF C18 H20 N2 O4 S2 CC(C)S(=O)....
62 3H6W - NS7 C19 H29 N3 O4 S2 Cc1cc2c(cc....
63 1MY4 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
64 4IGT Kd = 12.8 nM 3ZA C9 H16 N2 O6 CN(C(=O)CC....
65 3M3L - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
66 6GL4 - GLU C5 H9 N O4 C(CC(=O)O)....
67 5CBR Kd = 1.8 uM 4ZK C14 H12 Cl2 N2 O3 c1c(cc(c(c....
68 4GXS - 0YS C18 H21 Cl2 N3 O9 c1c(cc(c(c....
69 4U21 - FWF C24 H36 N2 O4 S2 C[C@@H](CN....
70 4YMA - 4E5 C12 H13 N O5 c1c(cc(cc1....
71 1FW0 - KAI C10 H15 N O4 CC(=C)[C@H....
72 1LB8 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
73 3FAS Ki = 171 nM GLU C5 H9 N O4 C(CC(=O)O)....
74 4U22 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
75 6FQJ - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
76 4ISU Ki = 0.21 mM IKM C12 H14 N2 O6 C1C=C[C@H]....
77 1MXU ic50 = 4 uM BWD C7 H8 Br N3 O4 C1=C(C(=O)....
78 4U4X Kd = 9.8 uM 3C2 C8 H11 N3 O2 S CCN1CNS(=O....
79 1MM7 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
80 2XX9 - 1NF C19 H19 F4 N3 O c1cc(c(cc1....
81 3M3K - GLU C5 H9 N O4 C(CC(=O)O)....
82 2XXH - 1NG C20 H22 F3 N3 O c1cc(ccc1C....
83 5ZG3 Ki = 0.061 uM 9C6 C19 H16 N2 O3 S c1ccc(cc1)....
84 5FHM - 5XP C15 H17 N7 O4 c1cc(cc(c1....
85 4N07 Kd = 0.35 uM 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
86 3IJO - GLU C5 H9 N O4 C(CC(=O)O)....
87 3RNN - RNN C16 H28 N2 O4 S2 CC(C)S(=O)....
88 2AL4 - QUS C5 H7 N3 O5 C([C@@H](C....
89 4LZ5 - GLU C5 H9 N O4 C(CC(=O)O)....
90 4U4S Kd = 1200 uM 3C1 C8 H11 N3 O2 S CCN1CNS(=O....
91 4G8M Kd = 12.8 nM G8M C7 H11 N O4 C1C[C@@H](....
92 3H6T - CYZ C14 H16 Cl N3 O4 S2 c1c2c(cc(c....
93 3O6G - O27 C23 H28 F3 N5 O2 S C1CCc2c(c(....
94 1NNP - CE2 C10 H15 N2 O4 CC(C)(C)c1....
95 5YBF Kd = 543 nM 8SR C16 H17 F3 N4 O2 S Cc1cc(nn1C....
96 1P1N Kd = 0.16 uM KAI C10 H15 N O4 CC(=C)[C@H....
97 1M5D ic50 = 9.2 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
98 5ZG1 Ki = 0.019 uM 9C0 C17 H20 N2 O2 S CC(C)(C)c1....
99 3IK6 - GLU C5 H9 N O4 C(CC(=O)O)....
100 2XXI - JAC C18 H18 F3 N3 O2 c1cc(ccc1C....
101 4O3A Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
102 3B6T - QUS C5 H7 N3 O5 C([C@@H](C....
103 6GIV - GLU C5 H9 N O4 C(CC(=O)O)....
104 4FAT - GLU C5 H9 N O4 C(CC(=O)O)....
105 3H6U - NS3 C18 H28 N4 O4 S2 Cc1cc2c(cc....
106 1NNK ic50 = 3.5 uM CE2 C10 H15 N2 O4 CC(C)(C)c1....
107 3FAT Kd = 22.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
108 3T9X - GLU C5 H9 N O4 C(CC(=O)O)....
109 1MY2 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
110 3ILT - TRU C8 H8 Cl3 N3 O4 S2 c1c2c(cc(c....
111 3O6I - O26 C20 H29 N5 O2 S CC(C)(C)c1....
112 3DLN - GLU C5 H9 N O4 C(CC(=O)O)....
113 3RTW - NWD C7 H8 N4 O6 C1=C(C(=O)....
114 1MQD ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
115 3T93 - GLU C5 H9 N O4 C(CC(=O)O)....
116 6Q54 - HJ8 C7 H12 N4 O3 CCn1c(c(nn....
117 6YK6 Ki = 135 uM OUB C9 H9 N3 O5 c1c2c(co1)....
118 6HCB - D45 C18 H22 N4 O4 S2 CN1CNS(=O)....
119 4F29 Ki = 0.168 uM QUS C5 H7 N3 O5 C([C@@H](C....
120 1MS7 ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
121 3R7X ic50 = 0.082 uM QSN C12 H10 N6 O6 S CS(=O)(=O)....
122 3BFT Ki = 323 nM S2P C5 H7 N3 O3 S C(c1c(nsn1....
123 6FQH - E2Q C12 H8 N4 O6 S c1cc2c(c(c....
124 5JEI - FWD C7 H8 F N3 O4 C1=C(C(=O)....
125 3O28 - O28 C19 H21 F3 N4 O2 S C1CCc2c(c(....
126 4IY6 - MQS C15 H17 N3 O C[C@H]1CCC....
127 3LSL - PZI C6 H10 N2 O2 C1CC(=O)N(....
128 2XX7 - 1ND C19 H20 F3 N3 O c1cc(ccc1C....
129 1FTM Kd = 24.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
130 2GFE - GLU C5 H9 N O4 C(CC(=O)O)....
131 4F31 Ki = 2.08 uM KAI C10 H15 N O4 CC(=C)[C@H....
132 5ZG2 - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
133 3T9U - CNI C9 H2 N4 O4 C1=C(C(=CC....
134 3T96 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
135 3KFM - KAI C10 H15 N O4 CC(=C)[C@H....
136 6YK5 Ki = 4.73 uM PVK C9 H11 N3 O5 C1C2=C(CO1....
137 2I3V - GLU C5 H9 N O4 C(CC(=O)O)....
138 3T9H - KAI C10 H15 N O4 CC(=C)[C@H....
139 3PMW - G69 C18 H22 F3 N3 O3 S CC(C)S(=O)....
140 3H6V - NS6 C18 H27 N3 O4 S2 CN1CCN(CC1....
141 1LBB - KAI C10 H15 N O4 CC(=C)[C@H....
142 5BUU - 4V6 C10 H13 Cl N2 O2 S C[C@@H]1N(....
143 3H03 ic50 = 135 uM UBP C10 H13 N3 O6 C1=CN(C(=O....
144 6FQK - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
145 1LB9 - DNQ C8 H2 N4 O6 C1=C(C(=CC....
146 1N0T ic50 = 12.2 uM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
147 5ZG0 Ki = 0.082 uM 9C3 C16 H18 N2 O3 S CC(C)Oc1cc....
148 3T9V - CNI C9 H2 N4 O4 C1=C(C(=CC....
149 1GR2 - KAI C10 H15 N O4 CC(=C)[C@H....
150 5OEW - GLU C5 H9 N O4 C(CC(=O)O)....
151 3IL1 - GLU C5 H9 N O4 C(CC(=O)O)....
152 3DP6 - GLU C5 H9 N O4 C(CC(=O)O)....
153 4O3C Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
154 3RTF - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
155 6FAZ - GLU C5 H9 N O4 C(CC(=O)O)....
156 1MM6 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
157 4F3G Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
158 4IY5 - GLU C5 H9 N O4 C(CC(=O)O)....
159 4F39 Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
160 5FHO - 5XN C14 H14 Cl N6 O4 c1cc(cc(c1....
161 6HCH - D45 C18 H22 N4 O4 S2 CN1CNS(=O)....
162 2P2A Ki = 0.75 uM MP9 C14 H14 N6 O4 c1ccc(cc1)....
163 3TZA Ki = 3.15 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
164 5NIH Ki = 134 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
165 3O2A - O30 C22 H28 F3 N5 O2 S C1CCc2c(c(....
166 4LZ8 - 1YX C19 H27 F N4 O4 S CC(C)S(=O)....
167 1MQJ ic50 = 4.76 uM HWD C7 H9 N3 O4 C1=CN(C(=O....
168 5NG9 Ki = 191 nM 8VN C7 H8 N2 O5 C1[C@H]2[C....
169 5NS9 - GLU C5 H9 N O4 C(CC(=O)O)....
170 4F1Y Kd = 0.96 uM CNI C9 H2 N4 O4 C1=C(C(=CC....
171 5ELV Kd = 0.16 uM 5PX C10 H12 N2 O3 S c1cc2c(cc1....
172 6YK4 Ki = 7.89 uM CG8 C10 H14 N4 O4 CN1CC2=C(C....
173 4U1O - KAI C10 H15 N O4 CC(=C)[C@H....
174 1LBC - GLU C5 H9 N O4 C(CC(=O)O)....
175 3TDJ - GLU C5 H9 N O4 C(CC(=O)O)....
176 5FHN - 5XO C15 H16 N6 O4 Cc1cccc(c1....
177 4QF9 Ki = 37.1 uM 35K C12 H13 N3 O4 c1cc2c(cc1....
178 1TXF Ki = 57.2 nM GLU C5 H9 N O4 C(CC(=O)O)....
179 3GBB Ki = 126 nM MS8 C11 H17 N O6 C1C[C@@H]2....
180 5MFQ - 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
181 3FVN Ki = 169 nM 9DX C11 H17 N O7 C1CO[C@@H]....
182 1YCJ - GLU C5 H9 N O4 C(CC(=O)O)....
183 3C35 - KAI C10 H15 N O4 CC(=C)[C@H....
184 5MFW - KAI C10 H15 N O4 CC(=C)[C@H....
185 3C31 - KAI C10 H15 N O4 CC(=C)[C@H....
186 3FV1 Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
187 3C34 - KAI C10 H15 N O4 CC(=C)[C@H....
188 2F36 - GLU C5 H9 N O4 C(CC(=O)O)....
189 3GBA Ki = 0.848 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
190 6SBT Ki = 43 nM L5H C19 H12 F3 N5 O3 c1ccc(cc1)....
191 3FV2 Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
192 2QS4 Kd = 38 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
193 2QS3 Kd = 1.4 nM UBE C20 H19 N3 O6 S CC1=CN(C(=....
194 2OJT - UBA C14 H15 N3 O6 S CC1=CN(C(=....
195 3C33 - KAI C10 H15 N O4 CC(=C)[C@H....
196 2WKY Ki = 2.57 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
197 2PBW Ki = 5.56 nM DOQ C15 H21 N O6 C[C@H](C=C....
198 4YMB Ki = 0.62 uM 4E7 C15 H19 N O4 CCC[C@@H]1....
199 6FZ4 Ki = 1.12 uM EC8 C16 H9 F4 N3 O4 c1ccc(c(c1....
200 3FVG Ki = 128 nM MS8 C11 H17 N O6 C1C[C@@H]2....
201 3C36 - KAI C10 H15 N O4 CC(=C)[C@H....
202 2F34 Kd = 0.13 uM UBA C14 H15 N3 O6 S CC1=CN(C(=....
203 3C32 - KAI C10 H15 N O4 CC(=C)[C@H....
204 2QS2 Kd = 186 nM UBF C13 H12 Br N3 O6 S c1csc(c1CN....
205 4DLD Ki = 1.5 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
206 3FVK Ki = 1.5 nM 8DX C11 H17 N O7 C1[C@@H](C....
207 2ZNU Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
208 3S2V Ki = 157 nM 3HU C15 H13 N3 O6 S2 c1csc(c1CN....
209 2QS1 Kd = 33 nM UB1 C14 H13 Br2 N3 O6 S CC1=CN(C(=....
210 4E0X - KAI C10 H15 N O4 CC(=C)[C@H....
211 5MFV - KAI C10 H15 N O4 CC(=C)[C@H....
212 2ZNT Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
213 2F35 Kd = 3.94 uM UBC C15 H15 N3 O6 c1ccc(c(c1....
214 5NEB Ki = 17 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
215 1VSO Ki = 18980 nM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
216 5CC2 Kd = 80 uM CKA C10 H6 Cl N O3 c1cc2c(cc1....
217 2V3U Kd = 1 mM DSN C3 H7 N O3 C([C@H](C(....
218 6JMV - SYM C6 H10 N O4 C[C@H](C[C....
219 4MH5 Ki = 7.43 uM GGL C5 H9 N O4 C(CC(=O)O)....
220 3U92 - KAI C10 H15 N O4 CC(=C)[C@H....
221 4E0W - KAI C10 H15 N O4 CC(=C)[C@H....
222 5O4F Ki = 208 uM 8VE C8 H11 N3 O4 CN1[C@H]2C....
223 4NWC Ki = 1.74 uM 2QE C9 H15 N O6 COC(=O)CC[....
224 4G8N Kd = 63 nM G8M C7 H11 N O4 C1C[C@@H](....
225 6F28 Ki = 2.15 uM CG8 C10 H14 N4 O4 CN1CC2=C(C....
226 5CMB Kd = 28.3 nM GLY C2 H5 N O2 C(C(=O)O)N
227 4YKJ Ki = 37 uM ALA C3 H7 N O2 C[C@@H](C(....
228 4YKI Kd = 2.7 nM GLY C2 H5 N O2 C(C(=O)O)N
229 4YKP - GLY C2 H5 N O2 C(C(=O)O)N
230 5EHM - OEM C5 H9 N O4 CN[C@H](CC....
231 5EHS - 2JJ C5 H12 N O5 P C(C[C@H](C....
232 5DTB - GLU C5 H9 N O4 C(CC(=O)O)....
233 4F2O Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
234 3DP4 Kd = 43 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
235 4F22 Ki = 30.26 uM KAI C10 H15 N O4 CC(=C)[C@H....
236 4F3B Ki = 1.271 uM GLU C5 H9 N O4 C(CC(=O)O)....
237 4F2Q Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
238 3RT8 - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
239 3M3F - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
240 3LSX - PZI C6 H10 N2 O2 C1CC(=O)N(....
241 3LSW - GLU C5 H9 N O4 C(CC(=O)O)....
242 4WXJ - GLU C5 H9 N O4 C(CC(=O)O)....
243 4H8I - 11W C20 H21 N3 O4 c1ccc(cc1)....
244 4BDQ - CYS C3 H7 N O2 S C([C@@H](C....
245 2XXW - GLU C5 H9 N O4 C(CC(=O)O)....
246 1SD3 - SYM C6 H10 N O4 C[C@H](C[C....
247 2XXX - GLU C5 H9 N O4 C(CC(=O)O)....
248 2XXR - GLU C5 H9 N O4 C(CC(=O)O)....
249 3QXM Ki = 33 nM NDZ C11 H17 N O8 C1[C@@H]2[....
250 1S9T Ki = 253 nM QUS C5 H7 N3 O5 C([C@@H](C....
251 4BDR - KAI C10 H15 N O4 CC(=C)[C@H....
252 2XXT - KAI C10 H15 N O4 CC(=C)[C@H....
253 5CMM - SYM C6 H10 N O4 C[C@H](C[C....
254 2XXU - GLU C5 H9 N O4 C(CC(=O)O)....
255 4BDN - GLU C5 H9 N O4 C(CC(=O)O)....
256 1S50 Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
257 2XXV - KAI C10 H15 N O4 CC(=C)[C@H....
258 5CMK ic50 = 30 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
259 4BDL - GLU C5 H9 N O4 C(CC(=O)O)....
260 1S7Y Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
261 1TT1 Ki = 64.6 nM KAI C10 H15 N O4 CC(=C)[C@H....
262 5IKB Kd = 1.9 nM KAI C10 H15 N O4 CC(=C)[C@H....
263 5DT6 - GLU C5 H9 N O4 C(CC(=O)O)....
264 5ICT - GLU C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLU; Similar ligands found: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 GGL 1 1
2 GLU 1 1
3 DGL 1 1
4 GLN 0.62963 0.821429
5 ZGL 0.62963 0.793103
6 DGN 0.62963 0.821429
7 ONL 0.586207 0.821429
8 11C 0.566667 0.96
9 UN1 0.566667 0.96
10 HCS 0.555556 0.714286
11 KSN 0.552632 0.774194
12 HGA 0.53125 0.666667
13 NPI 0.53125 0.923077
14 HSE 0.518519 0.758621
15 DAB 0.518519 0.666667
16 MEQ 0.515152 0.71875
17 3O3 0.513514 0.727273
18 NVA 0.5 0.740741
19 API 0.5 0.884615
20 DAS 0.481481 0.846154
21 ASP 0.481481 0.846154
22 TNA 0.463415 0.685714
23 SER 0.461538 0.655172
24 DBB 0.461538 0.692308
25 ABA 0.461538 0.692308
26 DSN 0.461538 0.655172
27 RGP 0.459459 0.648649
28 ORN 0.451613 0.689655
29 HOZ 0.451613 0.666667
30 AE5 0.447368 0.727273
31 CYS 0.444444 0.642857
32 DCY 0.444444 0.642857
33 C2N 0.444444 0.666667
34 NLE 0.4375 0.689655
35 2HG 0.433333 0.653846
36 S2G 0.433333 0.653846
37 ASN 0.428571 0.677419
38 26P 0.428571 0.857143
39 3GC 0.425 0.705882
40 DLY 0.424242 0.666667
41 MED 0.424242 0.625
42 MSE 0.424242 0.606061
43 MET 0.424242 0.625
44 BIX 0.418605 0.631579
45 MF3 0.416667 0.625
46 CBH 0.414634 0.774194
47 DHH 0.411765 0.851852
48 LYS 0.411765 0.645161
49 SHR 0.409091 0.774194
50 2NP 0.405405 0.71875
51 LEU 0.4 0.642857
52 2JJ 0.4 0.648649
53 9YT 0.4 0.611111
54 AS2 0.4 0.84
55 ONH 0.4 0.611111
56 5OY 0.4 0.648649
Similar Ligands (3D)
Ligand no: 1; Ligand: GLU; Similar ligands found: 1438
No: Ligand Similarity coefficient
1 2IT 1.0000
2 AKG 1.0000
3 TAR 1.0000
4 PSJ 1.0000
5 BNL 1.0000
6 BGC 1.0000
7 MAN 1.0000
8 OGA 0.9956
9 9ON 0.9928
10 URQ 0.9921
11 GLY GLY 0.9805
12 MHO 0.9800
13 SYM 0.9734
14 LMR 0.9710
15 2FT 0.9695
16 HIS 0.9685
17 DAL DAL 0.9679
18 GUA 0.9676
19 SME 0.9674
20 9J3 0.9653
21 8GL 0.9630
22 OSE 0.9622
23 DIR 0.9617
24 MLT 0.9616
25 FUM 0.9616
26 ALA ALA 0.9615
27 OKG 0.9615
28 LYN 0.9613
29 7C3 0.9609
30 HHI 0.9607
31 RUJ 0.9599
32 URP 0.9586
33 TIH 0.9582
34 TLA 0.9580
35 2CO 0.9579
36 IXW 0.9579
37 OOG 0.9570
38 OAA 0.9561
39 6NA 0.9559
40 SRT 0.9557
41 HTX 0.9557
42 SIN 0.9556
43 3HG 0.9543
44 DAV 0.9542
45 0L1 0.9541
46 HX2 0.9532
47 SD4 0.9531
48 SHO 0.9525
49 5XB 0.9523
50 PAC 0.9521
51 O45 0.9521
52 SEP 0.9519
53 3PG 0.9519
54 SPA 0.9516
55 AG2 0.9512
56 H95 0.9507
57 DHI 0.9507
58 7OD 0.9505
59 OEG 0.9502
60 0VT 0.9498
61 6JN 0.9497
62 HPV 0.9495
63 13P 0.9494
64 MSL 0.9492
65 I4B 0.9489
66 LTL 0.9488
67 SHV 0.9486
68 AHB 0.9486
69 CXP 0.9485
70 KMT 0.9484
71 QY9 0.9479
72 93K 0.9479
73 URO 0.9478
74 DZA 0.9477
75 NF3 0.9476
76 ACA 0.9474
77 J0Z 0.9474
78 3LR 0.9474
79 KTA 0.9473
80 DYT 0.9473
81 HL5 0.9472
82 JYD 0.9472
83 BHH 0.9471
84 G3H 0.9470
85 PGH 0.9466
86 PHB 0.9464
87 AL0 0.9461
88 HG3 0.9459
89 4MV 0.9456
90 G3P 0.9454
91 K6H 0.9450
92 MLE 0.9448
93 DHB 0.9446
94 98J 0.9445
95 1GP 0.9442
96 8EW 0.9440
97 ITN 0.9438
98 129 0.9438
99 PAB 0.9438
100 C5A 0.9436
101 SHF 0.9436
102 GP9 0.9435
103 FK8 0.9434
104 NPO 0.9433
105 SLZ 0.9432
106 MHN 0.9429
107 HSO 0.9429
108 9X6 0.9428
109 KDG 0.9426
110 7UC 0.9423
111 3OC 0.9418
112 N6C 0.9416
113 COI 0.9414
114 7BC 0.9413
115 VKC 0.9413
116 HPN 0.9413
117 PBC 0.9409
118 PBZ 0.9407
119 PGA 0.9405
120 MUC 0.9404
121 CUW 0.9403
122 BHU 0.9402
123 2AS 0.9401
124 CFI 0.9400
125 RAT 0.9396
126 R9S 0.9396
127 PEP 0.9394
128 KMH 0.9393
129 2HO 0.9392
130 NMG 0.9391
131 9TW 0.9390
132 BEZ 0.9387
133 3YP 0.9386
134 AC6 0.9386
135 49F 0.9383
136 4HP 0.9379
137 SMN 0.9379
138 CYX 0.9378
139 9RW 0.9377
140 GZ3 0.9377
141 PO6 0.9376
142 TYL 0.9376
143 7N0 0.9375
144 TPA 0.9372
145 2FM 0.9372
146 PG0 0.9372
147 3SL 0.9371
148 4NC 0.9371
149 173 0.9368
150 PHU 0.9367
151 URS 0.9367
152 GRO 0.9365
153 QSB 0.9364
154 4XR 0.9363
155 MZT 0.9362
156 PAF 0.9361
157 HIO 0.9360
158 BEN 0.9360
159 MYJ 0.9360
160 B40 0.9358
161 CHB 0.9358
162 FOC 0.9357
163 N4B 0.9356
164 VAH 0.9355
165 IZC 0.9355
166 268 0.9354
167 PBE 0.9354
168 DQY 0.9350
169 3OM 0.9347
170 3OL 0.9347
171 8OZ 0.9346
172 4A3 0.9346
173 CIZ 0.9346
174 P9P 0.9345
175 PSE 0.9343
176 4MA 0.9343
177 2RH 0.9341
178 I38 0.9341
179 INO 0.9340
180 OEM 0.9339
181 S8V 0.9339
182 5XA 0.9337
183 SSC 0.9337
184 GPF 0.9336
185 GJZ 0.9336
186 3S5 0.9335
187 P7Y 0.9334
188 Q9Z 0.9333
189 GPJ 0.9333
190 CCE 0.9332
191 0OC 0.9332
192 PZI 0.9332
193 LFC 0.9331
194 TEO 0.9329
195 4LR 0.9329
196 41K 0.9328
197 M45 0.9328
198 PRA 0.9323
199 BNF 0.9322
200 TZL 0.9322
201 X1R 0.9321
202 650 0.9319
203 3HM 0.9319
204 0V5 0.9319
205 258 0.9318
206 IHB 0.9318
207 HBD 0.9318
208 FHB 0.9316
209 NCA 0.9316
210 1Y6 0.9314
211 ACH 0.9313
212 GAB 0.9313
213 MPJ 0.9312
214 PRO GLY 0.9309
215 SOR 0.9309
216 1SA 0.9309
217 PBA 0.9306
218 THE 0.9306
219 PMF 0.9305
220 9SE 0.9304
221 XX2 0.9304
222 PPR 0.9303
223 GOJ 0.9302
224 3BU 0.9300
225 DE5 0.9300
226 3HP 0.9297
227 UNU 0.9294
228 NM2 0.9289
229 CXF 0.9289
230 R9M 0.9288
231 RNS 0.9287
232 FUD 0.9285
233 JLZ 0.9285
234 LUQ 0.9283
235 826 0.9283
236 CHH 0.9282
237 AHN 0.9280
238 Z82 0.9280
239 BNS 0.9279
240 SHI 0.9277
241 PG3 0.9276
242 L5V 0.9276
243 AT3 0.9273
244 HIC 0.9272
245 PEQ 0.9272
246 AC0 0.9271
247 NIO 0.9269
248 P72 0.9268
249 BAM 0.9267
250 J9N 0.9267
251 OVV 0.9264
252 16D 0.9263
253 MTL 0.9263
254 DPN 0.9263
255 PEL 0.9261
256 CRN 0.9261
257 IOM 0.9261
258 BHO 0.9261
259 6PC 0.9261
260 KPL 0.9260
261 5HY 0.9260
262 XIZ 0.9259
263 92K 0.9255
264 LT1 0.9255
265 ZXD 0.9255
266 SKJ 0.9254
267 7A8 0.9254
268 FAN 0.9253
269 R2P 0.9252
270 DHS 0.9252
271 3PP 0.9250
272 CN0 0.9250
273 7WG 0.9249
274 S2P 0.9249
275 MD0 0.9249
276 GVM 0.9248
277 HF2 0.9248
278 AEG 0.9247
279 OK7 0.9245
280 B3U 0.9244
281 LNO 0.9243
282 3HB 0.9243
283 PEA 0.9239
284 53C 0.9239
285 CCD 0.9238
286 K6V 0.9236
287 AOT 0.9234
288 271 0.9233
289 YIV 0.9232
290 JB8 0.9232
291 NYL 0.9231
292 PMB 0.9231
293 OTR 0.9231
294 2PG 0.9229
295 XSP 0.9229
296 PPY 0.9228
297 I1E 0.9227
298 E4P 0.9227
299 P80 0.9226
300 FIX 0.9226
301 RJY 0.9226
302 GLY ALA 0.9225
303 MAE 0.9225
304 KOJ 0.9225
305 152 0.9224
306 SW7 0.9224
307 69O 0.9221
308 3C4 0.9221
309 UYA 0.9221
310 2EH 0.9220
311 M3P 0.9220
312 HY1 0.9219
313 HBA 0.9219
314 X1S 0.9218
315 NBZ 0.9217
316 RSO 0.9216
317 LER 0.9216
318 SAF 0.9215
319 NNH 0.9215
320 FQI 0.9215
321 JZ7 0.9214
322 PHE 0.9214
323 TCA 0.9214
324 K34 0.9214
325 PZA 0.9214
326 M4T 0.9212
327 NM3 0.9211
328 SAN 0.9211
329 DHY 0.9210
330 1BN 0.9210
331 HCI 0.9208
332 NWH 0.9207
333 8SZ 0.9206
334 HYA 0.9205
335 HC4 0.9205
336 MNN 0.9204
337 TSU 0.9204
338 OHP 0.9202
339 TIU 0.9200
340 HE4 0.9199
341 SOL 0.9198
342 QMP 0.9197
343 RNT 0.9197
344 8WO 0.9197
345 M3H 0.9195
346 BDP 0.9195
347 TPO 0.9194
348 NCT 0.9193
349 TMH 0.9193
350 SHA 0.9192
351 XUL 0.9192
352 174 0.9192
353 HHH 0.9191
354 4FA 0.9189
355 FEH 0.9188
356 PIM 0.9188
357 K7M 0.9188
358 FCR 0.9188
359 4CS 0.9187
360 GCO 0.9187
361 BE7 0.9187
362 4P5 0.9187
363 ROR 0.9186
364 RMN 0.9186
365 FB2 0.9186
366 IP8 0.9185
367 SKG 0.9185
368 OAF 0.9185
369 DYA 0.9184
370 14J 0.9184
371 23J 0.9183
372 4TB 0.9182
373 449 0.9182
374 AFS 0.9181
375 PKU 0.9181
376 AOS 0.9180
377 5FX 0.9179
378 4WL 0.9179
379 DAR 0.9179
380 A3M 0.9177
381 I2M 0.9176
382 2AL 0.9175
383 HMS 0.9173
384 CCU 0.9173
385 J9T 0.9172
386 A29 0.9171
387 XYL 0.9170
388 RB5 0.9170
389 3AL 0.9170
390 XBT 0.9169
391 ICF 0.9168
392 ILE 0.9168
393 CMS 0.9167
394 MEV 0.9167
395 E79 0.9167
396 ISZ 0.9166
397 6XA 0.9166
398 QDK 0.9164
399 SS1 0.9163
400 URF 0.9162
401 PIY 0.9159
402 1DJ 0.9159
403 3QM 0.9158
404 YCP 0.9154
405 2HC 0.9151
406 R20 0.9151
407 3NT 0.9150
408 IVL 0.9149
409 3AB 0.9148
410 AAS 0.9148
411 R67 0.9147
412 B3M 0.9147
413 MSR 0.9147
414 XLS 0.9146
415 PBN 0.9145
416 YRL 0.9143
417 XYH 0.9143
418 PCA 0.9143
419 DMJ 0.9141
420 40E 0.9140
421 NNO 0.9140
422 FOM 0.9139
423 HPS 0.9138
424 HBU 0.9138
425 TAG 0.9138
426 JDN 0.9138
427 EHM 0.9137
428 S24 0.9137
429 DMV 0.9136
430 SPV 0.9133
431 2D8 0.9133
432 VGL 0.9133
433 M58 0.9133
434 ZBT 0.9132
435 HFA 0.9132
436 VNL 0.9132
437 PNZ 0.9130
438 LPK 0.9129
439 NIZ 0.9129
440 1L5 0.9129
441 NLP 0.9127
442 264 0.9127
443 DII 0.9126
444 F9P 0.9126
445 FPY 0.9126
446 RBL 0.9123
447 B85 0.9121
448 MES 0.9121
449 8GC 0.9121
450 SKM 0.9121
451 JAE 0.9121
452 ANN 0.9121
453 6FZ 0.9119
454 3V4 0.9119
455 LY0 0.9118
456 OCT 0.9118
457 CEE 0.9117
458 4ZA 0.9117
459 4JM 0.9117
460 E5X 0.9116
461 DOB 0.9116
462 APG 0.9115
463 PLU 0.9114
464 NXA 0.9113
465 SYC 0.9112
466 HDH 0.9112
467 DHR 0.9112
468 263 0.9111
469 HSM 0.9111
470 DS0 0.9110
471 EOU 0.9110
472 MNM 0.9109
473 RBJ 0.9108
474 HE2 0.9108
475 AMS 0.9108
476 NTN 0.9108
477 IHG 0.9107
478 CS2 0.9106
479 6NI 0.9106
480 FA1 0.9105
481 4VP 0.9105
482 ABE 0.9105
483 5WZ 0.9103
484 NMH 0.9101
485 WBU 0.9100
486 FCN 0.9100
487 717 0.9099
488 FBJ 0.9098
489 HQJ 0.9097
490 AEF 0.9096
491 4PN 0.9096
492 NIG 0.9096
493 UGC 0.9095
494 TZE 0.9094
495 LDP 0.9094
496 NFA 0.9094
497 F98 0.9094
498 FBM 0.9093
499 X0V 0.9092
500 GLL 0.9092
501 2BX 0.9091
502 EUG 0.9091
503 UY7 0.9090
504 CPZ 0.9090
505 MPV 0.9089
506 4JT 0.9088
507 LNR 0.9088
508 A5E 0.9088
509 6TZ 0.9086
510 GLY CYS 0.9085
511 LLQ 0.9085
512 DGJ 0.9084
513 TYR 0.9084
514 FPK 0.9083
515 MAH 0.9081
516 5HN 0.9081
517 6M4 0.9081
518 WTZ 0.9081
519 97T 0.9080
520 L99 0.9080
521 64K 0.9080
522 54D 0.9077
523 WCE 0.9077
524 SNU 0.9077
525 GLO 0.9076
526 O7U 0.9076
527 4SX 0.9075
528 XRG 0.9075
529 069 0.9074
530 PAH 0.9074
531 F06 0.9073
532 1CO 0.9072
533 MPH 0.9072
534 1X4 0.9072
535 IT2 0.9070
536 G8M 0.9069
537 RTK 0.9069
538 PDC 0.9067
539 RSF 0.9067
540 5QY 0.9064
541 MPD 0.9064
542 H42 0.9063
543 1KA 0.9061
544 2K4 0.9061
545 F60 0.9060
546 FLA 0.9059
547 1SH 0.9058
548 NOY 0.9058
549 0MK 0.9058
550 EKZ 0.9057
551 BRT 0.9057
552 F31 0.9056
553 7MU 0.9055
554 AW5 0.9053
555 IFL 0.9053
556 A8C 0.9052
557 269 0.9052
558 G2H 0.9051
559 M6H 0.9051
560 SSN 0.9051
561 4HM 0.9051
562 OMD 0.9050
563 QUS 0.9050
564 PC 0.9050
565 N9J 0.9050
566 4LW 0.9049
567 IDH 0.9048
568 BPW 0.9047
569 HDA 0.9047
570 BSX 0.9046
571 M44 0.9046
572 9GB 0.9046
573 KPA 0.9045
574 CNL 0.9045
575 RUY 0.9043
576 P58 0.9043
577 ENV 0.9043
578 4LV 0.9042
579 TDR 0.9042
580 ARA 0.9042
581 3SS 0.9042
582 JAW 0.9042
583 DHM 0.9041
584 6NT 0.9041
585 HZP 0.9040
586 HL4 0.9040
587 SSB 0.9039
588 AX3 0.9039
589 IFP 0.9039
590 2ZM 0.9038
591 OVM 0.9037
592 COU 0.9036
593 FP1 0.9036
594 ICB 0.9035
595 ORO 0.9033
596 0HN 0.9033
597 1DQ 0.9033
598 03V 0.9032
599 5UC 0.9032
600 36Y 0.9032
601 4J8 0.9032
602 CLT 0.9031
603 OCH 0.9031
604 34V 0.9031
605 BZX 0.9031
606 DOR 0.9029
607 BHL 0.9029
608 3MV 0.9027
609 REL 0.9026
610 23W 0.9025
611 9X7 0.9025
612 JZ5 0.9025
613 DI6 0.9025
614 5CU 0.9025
615 3PF 0.9024
616 MLZ 0.9023
617 2AQ 0.9023
618 HX4 0.9023
619 4M0 0.9023
620 DCL 0.9022
621 TZF 0.9022
622 1F1 0.9021
623 ARB 0.9020
624 C21 0.9019
625 BHA 0.9019
626 M6W 0.9019
627 1DV 0.9019
628 FX1 0.9018
629 FPI 0.9018
630 3CR 0.9017
631 J9Q 0.9016
632 1P3 0.9016
633 5AC 0.9016
634 AMH 0.9015
635 ABI 0.9015
636 JF6 0.9015
637 HDL 0.9014
638 HYP 0.9013
639 MXN 0.9012
640 ESX 0.9012
641 XXG 0.9012
642 3NY 0.9012
643 FYU 0.9012
644 NOJ 0.9011
645 DBH 0.9011
646 0HO 0.9010
647 FA0 0.9010
648 C1M 0.9009
649 4FS 0.9009
650 FBS 0.9008
651 DHK 0.9007
652 3BZ 0.9006
653 F4E 0.9005
654 AVI 0.9004
655 LVD 0.9004
656 M5E 0.9004
657 AMC 0.9004
658 TYE 0.9003
659 NSD 0.9003
660 5NU 0.9003
661 G2F 0.9003
662 4RW 0.9001
663 P22 0.9000
664 3HA 0.8999
665 5NI 0.8998
666 PH3 0.8998
667 SEJ 0.8998
668 O8Y 0.8997
669 GLC 0.8996
670 NSB 0.8994
671 51F 0.8994
672 KPC 0.8993
673 Q07 0.8992
674 SDD 0.8992
675 HA5 0.8992
676 EDG 0.8992
677 OCA 0.8991
678 IPM 0.8991
679 PRO 0.8990
680 ASC 0.8990
681 2LP 0.8989
682 8U3 0.8989
683 Q03 0.8986
684 RIB 0.8986
685 DLT 0.8985
686 GZL 0.8985
687 2HU 0.8985
688 LCN 0.8984
689 NMJ 0.8982
690 FF3 0.8981
691 ASO 0.8981
692 NK2 0.8980
693 266 0.8980
694 MT2 0.8980
695 MRY 0.8979
696 GWM 0.8979
697 GLR 0.8978
698 HHA 0.8978
699 3A9 0.8977
700 DIG 0.8976
701 MCT 0.8975
702 23B 0.8975
703 HBX 0.8975
704 45L 0.8974
705 XYP 0.8973
706 DXG 0.8971
707 52C 0.8971
708 PAE 0.8971
709 XYS 0.8971
710 FBA 0.8970
711 RLG 0.8970
712 T9G 0.8970
713 PJL 0.8969
714 AZF 0.8969
715 BZ3 0.8969
716 GVG 0.8968
717 BZ2 0.8968
718 FBW 0.8967
719 GTK 0.8967
720 GG6 0.8967
721 LSQ 0.8966
722 8G0 0.8966
723 LT2 0.8965
724 RHU 0.8965
725 HQ9 0.8964
726 KDF 0.8963
727 ESP 0.8962
728 RIP 0.8962
729 Q02 0.8960
730 N8P 0.8960
731 TH7 0.8960
732 PD2 0.8959
733 4HO 0.8957
734 1MC 0.8957
735 OW4 0.8957
736 JZ4 0.8956
737 1LN 0.8956
738 ABU 0.8956
739 QSH 0.8955
740 4BZ 0.8954
741 GDE 0.8954
742 CSS 0.8953
743 FBV 0.8953
744 SYN 0.8953
745 BUB 0.8953
746 PRY 0.8952
747 SC2 0.8952
748 GBD 0.8952
749 4NM 0.8952
750 DPF 0.8951
751 42J 0.8950
752 AMQ 0.8949
753 261 0.8945
754 HPA 0.8945
755 TEG 0.8944
756 2F6 0.8943
757 0A9 0.8943
758