Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5OY B:302;
A:302;
Valid;
Valid;
none;
none;
submit data
197.126 C5 H12 N O5 P C(C[C...
2JJ B:301;
A:301;
Valid;
Valid;
none;
none;
submit data
197.126 C5 H12 N O5 P C(C[C...
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: 5OY; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 2JJ 1 1
2 5OY 1 1
3 API 0.566667 0.631579
4 PAO 0.488372 0.74
5 11C 0.485714 0.675676
6 UN1 0.485714 0.675676
7 DHH 0.472222 0.657895
8 ONH 0.459459 0.613636
9 NPI 0.459459 0.657895
10 6CL 0.447368 0.615385
11 26P 0.447368 0.666667
12 ABH 0.435897 0.853659
13 RPI 0.425532 0.72
14 6HN 0.425 0.612245
15 PSQ 0.416667 0.610169
16 RGP 0.404762 0.897436
17 GGL 0.4 0.648649
18 GLU 0.4 0.648649
19 DGL 0.4 0.648649
Ligand no: 2; Ligand: 2JJ; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 2JJ 1 1
2 5OY 1 1
3 API 0.566667 0.631579
4 PAO 0.488372 0.74
5 11C 0.485714 0.675676
6 UN1 0.485714 0.675676
7 DHH 0.472222 0.657895
8 ONH 0.459459 0.613636
9 NPI 0.459459 0.657895
10 6CL 0.447368 0.615385
11 26P 0.447368 0.666667
12 ABH 0.435897 0.853659
13 RPI 0.425532 0.72
14 6HN 0.425 0.612245
15 PSQ 0.416667 0.610169
16 RGP 0.404762 0.897436
17 GGL 0.4 0.648649
18 GLU 0.4 0.648649
19 DGL 0.4 0.648649
Similar Ligands (3D)
Ligand no: 1; Ligand: 5OY; Similar ligands found: 180
No: Ligand Similarity coefficient
1 MF3 0.9510
2 KPC 0.9467
3 DXP 0.9465
4 4TP 0.9445
5 TZP 0.9362
6 OOG 0.9350
7 1PS 0.9329
8 F98 0.9271
9 DEZ 0.9252
10 FOM 0.9242
11 3PG 0.9224
12 KDG 0.9219
13 2FM 0.9210
14 1HS 0.9209
15 9GB 0.9206
16 HCI 0.9183
17 DX5 0.9180
18 ARG 0.9175
19 MLZ 0.9161
20 DHM 0.9153
21 E4P 0.9148
22 PC 0.9131
23 PBA 0.9129
24 A5P 0.9127
25 AKG 0.9120
26 5DL 0.9118
27 XRX 0.9111
28 0L1 0.9098
29 O45 0.9098
30 LYS 0.9098
31 5SP 0.9085
32 NNH 0.9085
33 LUQ 0.9076
34 GGB 0.9074
35 M3L 0.9067
36 9YT 0.9061
37 HC4 0.9046
38 GRQ 0.9042
39 MES 0.9038
40 HPP 0.9033
41 1X4 0.9021
42 2NP 0.9020
43 HG3 0.9019
44 ILO 0.9003
45 5LD 0.8996
46 ATX 0.8983
47 13P 0.8979
48 CCD 0.8978
49 AHC 0.8967
50 IAR 0.8963
51 CHH 0.8960
52 PML 0.8957
53 LGT 0.8957
54 JFM 0.8945
55 DER 0.8940
56 DAR 0.8937
57 GLY GLY GLY 0.8934
58 XRS 0.8933
59 TCA 0.8930
60 PHE 0.8930
61 QFJ 0.8929
62 IP8 0.8925
63 R5P 0.8921
64 650 0.8919
65 GVA 0.8917
66 MLY 0.8914
67 R52 0.8910
68 CIR 0.8910
69 3YP 0.8903
70 XOG 0.8901
71 G3H 0.8897
72 DXG 0.8897
73 5RP 0.8896
74 PPY 0.8894
75 64Z 0.8894
76 HGA 0.8890
77 KPA 0.8880
78 BL0 0.8880
79 AHN 0.8876
80 PLP 0.8874
81 4TB 0.8872
82 CXP 0.8872
83 JX7 0.8868
84 CYX 0.8866
85 8SZ 0.8864
86 DPN 0.8863
87 ENW 0.8857
88 7BC 0.8855
89 EXY 0.8854
90 AZM 0.8852
91 RES 0.8850
92 LX1 0.8843
93 DHC 0.8838
94 HMS 0.8836
95 Q06 0.8834
96 TEG 0.8829
97 4ZD 0.8829
98 J9Y 0.8828
99 TYR 0.8826
100 SLZ 0.8824
101 LVD 0.8823
102 PMV 0.8820
103 LYN 0.8819
104 NFA 0.8815
105 J0Z 0.8814
106 Z70 0.8805
107 PRO GLY 0.8805
108 RP3 0.8799
109 7C3 0.8794
110 P80 0.8793
111 PGH 0.8788
112 1AE 0.8784
113 HSX 0.8781
114 5WN 0.8781
115 HSA 0.8778
116 GAE 0.8778
117 P58 0.8777
118 XIZ 0.8776
119 OCA 0.8771
120 7OD 0.8770
121 HPV 0.8768
122 D5X 0.8763
123 N9J 0.8758
124 S0W 0.8756
125 FK8 0.8753
126 PA5 0.8749
127 LPB 0.8747
128 R10 0.8743
129 DZA 0.8742
130 BHU 0.8741
131 SG3 0.8740
132 TX4 0.8740
133 GLR 0.8736
134 DIR 0.8735
135 XI7 0.8730
136 Q04 0.8724
137 L06 0.8723
138 DLT 0.8719
139 MP5 0.8717
140 YZM 0.8716
141 LSQ 0.8713
142 ENV 0.8711
143 HF2 0.8705
144 P7Y 0.8703
145 Q9Z 0.8701
146 IPE 0.8693
147 129 0.8693
148 PO6 0.8692
149 CUW 0.8691
150 PPT 0.8684
151 JOV 0.8681
152 58X 0.8681
153 011 0.8676
154 F90 0.8673
155 NOT 0.8670
156 SB7 0.8667
157 PJL 0.8665
158 ZZU 0.8664
159 9J6 0.8655
160 NMH 0.8649
161 AHL 0.8644
162 DI6 0.8644
163 E8U 0.8642
164 PLR 0.8638
165 ALY 0.8631
166 6C5 0.8629
167 HRG 0.8621
168 N4B 0.8616
169 MHN 0.8612
170 3OL 0.8611
171 5PV 0.8609
172 NWH 0.8596
173 DLY 0.8595
174 EN1 0.8574
175 FXY 0.8574
176 F06 0.8559
177 DA3 0.8555
178 TOH 0.8554
179 GK8 0.8546
180 MEQ 0.8532
Ligand no: 2; Ligand: 2JJ; Similar ligands found: 233
No: Ligand Similarity coefficient
1 LUQ 0.9634
2 DER 0.9583
3 MF3 0.9513
4 3PG 0.9470
5 FOM 0.9460
6 F98 0.9429
7 DXP 0.9322
8 KPA 0.9317
9 OOG 0.9314
10 RES 0.9313
11 DHM 0.9302
12 KPC 0.9298
13 M3P 0.9295
14 DEZ 0.9292
15 PC 0.9290
16 4TP 0.9261
17 TZP 0.9261
18 5RP 0.9251
19 2FM 0.9248
20 E4P 0.9228
21 1PS 0.9223
22 AKG 0.9213
23 0L1 0.9185
24 9GB 0.9185
25 1HS 0.9183
26 ABF 0.9179
27 LX1 0.9176
28 QFJ 0.9173
29 E79 0.9164
30 HBU 0.9134
31 GVA 0.9109
32 GGB 0.9104
33 ARG 0.9078
34 DX5 0.9077
35 MES 0.9066
36 4TB 0.9064
37 R5P 0.9060
38 5DL 0.9057
39 M3L 0.9046
40 DAR 0.9045
41 650 0.9044
42 A5P 0.9042
43 JX7 0.9040
44 NSB 0.9040
45 HCI 0.9038
46 XRX 0.9037
47 ILO 0.9036
48 LVD 0.9033
49 BL0 0.9030
50 HSX 0.9022
51 SEP 0.9021
52 IAR 0.9019
53 CIR 0.9019
54 RP5 0.9016
55 1X4 0.9013
56 AHN 0.9013
57 CLT 0.9010
58 MLY 0.9003
59 AZM 0.8996
60 CCD 0.8995
61 5LD 0.8986
62 RP3 0.8982
63 MSL 0.8977
64 R52 0.8976
65 O45 0.8974
66 G3P 0.8972
67 IVL 0.8969
68 Q06 0.8968
69 PHE 0.8958
70 PML 0.8957
71 HC4 0.8948
72 JFM 0.8946
73 NFA 0.8945
74 HFA 0.8944
75 ENW 0.8941
76 PBA 0.8940
77 GPJ 0.8939
78 LYS 0.8939
79 13P 0.8936
80 GPF 0.8934
81 DLY 0.8930
82 CHH 0.8926
83 TEG 0.8921
84 PPY 0.8919
85 IP8 0.8919
86 9YT 0.8916
87 PMV 0.8912
88 ENO 0.8911
89 2NP 0.8907
90 XRS 0.8903
91 MP5 0.8903
92 NNH 0.8902
93 FK8 0.8898
94 4LR 0.8896
95 GLR 0.8895
96 E8U 0.8894
97 TYR 0.8887
98 DIR 0.8886
99 CXP 0.8883
100 P81 0.8881
101 KNA 0.8881
102 HG3 0.8880
103 3S5 0.8878
104 SYM 0.8878
105 7OD 0.8874
106 NMH 0.8873
107 TCA 0.8864
108 PPT 0.8852
109 PLR 0.8851
110 PLP 0.8844
111 XOG 0.8841
112 7C3 0.8838
113 J0Z 0.8834
114 MLZ 0.8833
115 KDG 0.8832
116 FB6 0.8831
117 HPV 0.8827
118 4ZD 0.8818
119 GRQ 0.8813
120 DHC 0.8811
121 ENV 0.8810
122 Z70 0.8810
123 5SP 0.8809
124 PBN 0.8808
125 HGA 0.8807
126 G3H 0.8803
127 BVA 0.8800
128 61M 0.8798
129 7BC 0.8797
130 EGV 0.8797
131 F90 0.8795
132 DPN 0.8794
133 OCA 0.8791
134 3H2 0.8785
135 DLT 0.8785
136 37E 0.8780
137 N9J 0.8780
138 PGH 0.8778
139 64Z 0.8777
140 58X 0.8772
141 HPP 0.8771
142 S0W 0.8771
143 011 0.8768
144 D5X 0.8764
145 ZZU 0.8763
146 5PV 0.8763
147 MAJ 0.8762
148 SB7 0.8761
149 LSQ 0.8760
150 AG2 0.8758
151 NMM 0.8758
152 2D8 0.8754
153 LGT 0.8753
154 SSC 0.8750
155 CYX 0.8748
156 3YP 0.8747
157 DZA 0.8744
158 DTY 0.8742
159 129 0.8738
160 Q04 0.8732
161 BCH 0.8731
162 P80 0.8729
163 DXG 0.8726
164 Q9Z 0.8725
165 PO6 0.8720
166 1L5 0.8719
167 GO2 0.8718
168 PJL 0.8717
169 5WN 0.8717
170 F06 0.8714
171 PRO GLY 0.8712
172 SG3 0.8707
173 AHC 0.8703
174 XIZ 0.8702
175 XI7 0.8701
176 HMS 0.8700
177 TZM 0.8695
178 PRA 0.8694
179 GZ2 0.8693
180 S7A 0.8690
181 ATX 0.8687
182 TX4 0.8681
183 C82 0.8681
184 PFF 0.8679
185 HF2 0.8677
186 QH3 0.8677
187 8SZ 0.8675
188 GAE 0.8673
189 HXY 0.8673
190 3QO 0.8673
191 RA7 0.8671
192 MHN 0.8668
193 GRF 0.8664
194 6C4 0.8662
195 TB8 0.8659
196 R10 0.8658
197 OJD 0.8658
198 2O6 0.8657
199 SHV 0.8653
200 DAH 0.8652
201 YIE 0.8645
202 3OL 0.8643
203 EQW 0.8641
204 ACA 0.8637
205 HRG 0.8633
206 5OO 0.8623
207 TOH 0.8622
208 P7Y 0.8618
209 TYC 0.8617
210 YPN 0.8616
211 YOF 0.8606
212 S8V 0.8605
213 BHH 0.8604
214 KYN 0.8592
215 LY0 0.8589
216 LTL 0.8586
217 SB9 0.8584
218 7UC 0.8582
219 SZ7 0.8580
220 IAC 0.8577
221 N4B 0.8571
222 IPE 0.8569
223 MVH 0.8568
224 B3U 0.8567
225 A51 0.8560
226 4XF 0.8560
227 0NX 0.8558
228 HIC 0.8552
229 GVM 0.8552
230 HAR 0.8544
231 I38 0.8540
232 SOJ 0.8538
233 PA5 0.8529
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EHS; Ligand: 5OY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5ehs.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5EHS; Ligand: 2JJ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5ehs.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5EHS; Ligand: 5OY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5ehs.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5EHS; Ligand: 2JJ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5ehs.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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