Receptor
PDB id Resolution Class Description Source Keywords
1S9T 1.8 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE GLUR6 LIGAND BINDING CORE IN COMPLE QUISQUALATE AT 1.8A RESOLUTION RATTUS NORVEGICUS MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE GLUR5 AND GLUR6 LIGAND BI CORES: MOLECULAR MECHANISMS UNDERLYING KAINATE RECE SELECTIVITY. NEURON V. 45 539 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:2001;
B:2002;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
QUS A:1001;
B:1002;
 Valid;
Valid;
 none;
none;
 Ki = 253 nM
189.126 C5 H7 N3 O5 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CMK 1.8 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE GLUK2EM LBD DIMER ASSEMBLY COMPLEX GLUTAMATE AND LY466195 RATTUS NORVEGICUS MEMBRANE PROTEIN TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS OF KAINATE SUBTYPE GLUTAMATE RECEP DESENSITIZATION. NATURE V. 537 567 2016
Members (19)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 4H8I - 11W C20 H21 N3 O4 c1ccc(cc1)....
2 4BDQ - CYS C3 H7 N O2 S C([C@@H](C....
3 2XXW - GLU C5 H9 N O4 C(CC(=O)O)....
4 1SD3 - SYM C6 H10 N O4 C[C@H](C[C....
5 2XXX - GLU C5 H9 N O4 C(CC(=O)O)....
6 2XXR - GLU C5 H9 N O4 C(CC(=O)O)....
7 3QXM Ki = 33 nM NDZ C11 H17 N O8 C1[C@@H]2[....
8 1S9T Ki = 253 nM QUS C5 H7 N3 O5 C([C@@H](C....
9 4BDR - KAI C10 H15 N O4 CC(=C)[C@H....
10 2XXT - KAI C10 H15 N O4 CC(=C)[C@H....
11 5CMM - SYM C6 H10 N O4 C[C@H](C[C....
12 2XXU - GLU C5 H9 N O4 C(CC(=O)O)....
13 4BDN - GLU C5 H9 N O4 C(CC(=O)O)....
14 1S50 Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
15 2XXV - KAI C10 H15 N O4 CC(=C)[C@H....
16 5CMK ic50 = 30 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
17 4BDL - GLU C5 H9 N O4 C(CC(=O)O)....
18 1S7Y Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
19 1TT1 Ki = 64.6 nM KAI C10 H15 N O4 CC(=C)[C@H....
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: QUS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 QUS 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: QUS; Similar ligands found: 868
No: Ligand Similarity coefficient
1 HJH 0.9696
2 SAF 0.9635
3 SHI 0.9632
4 S2P 0.9603
5 B3U 0.9525
6 7Q1 0.9525
7 HIC 0.9484
8 PHE 0.9448
9 0W1 0.9431
10 PPY 0.9419
11 AMQ 0.9416
12 HFA 0.9413
13 BRH 0.9387
14 NFA 0.9377
15 TT4 0.9375
16 R20 0.9369
17 P80 0.9362
18 EDR 0.9354
19 HIS 0.9352
20 K80 0.9349
21 DI6 0.9348
22 AOT 0.9347
23 HF2 0.9346
24 HNL 0.9344
25 9W5 0.9342
26 HQJ 0.9341
27 L5V 0.9333
28 GVG 0.9326
29 A29 0.9326
30 F06 0.9325
31 HWD 0.9301
32 MPV 0.9295
33 8NX 0.9294
34 ESI 0.9292
35 TRP 0.9288
36 3CR 0.9281
37 AX3 0.9281
38 DTY 0.9273
39 P7Y 0.9270
40 R2P 0.9264
41 GO2 0.9263
42 HA5 0.9263
43 CS2 0.9258
44 9RW 0.9256
45 NCT 0.9250
46 SMN 0.9248
47 1A7 0.9248
48 BNL 0.9244
49 J6W 0.9240
50 L22 0.9237
51 FTV 0.9233
52 6NT 0.9232
53 HX4 0.9231
54 DIR 0.9229
55 TZM 0.9229
56 TYR 0.9225
57 6NI 0.9222
58 3NY 0.9221
59 XDK 0.9219
60 GZQ 0.9217
61 IWT 0.9214
62 1F1 0.9213
63 2ZM 0.9206
64 TB8 0.9200
65 3HP 0.9199
66 2UB 0.9199
67 33S 0.9198
68 0HN 0.9193
69 HNK 0.9190
70 TAG 0.9189
71 428 0.9188
72 0A9 0.9184
73 2AL 0.9183
74 BZE 0.9181
75 CWD 0.9181
76 6FZ 0.9180
77 I2E 0.9177
78 46P 0.9174
79 PO6 0.9172
80 IOP 0.9172
81 HL4 0.9171
82 LSQ 0.9169
83 ENO 0.9168
84 4SX 0.9166
85 D3G 0.9165
86 FBU 0.9162
87 S3C 0.9162
88 F4E 0.9162
89 HCI 0.9160
90 4JQ 0.9151
91 SLY 0.9149
92 TOM 0.9148
93 MAJ 0.9147
94 S24 0.9146
95 PJL 0.9146
96 K7M 0.9145
97 DYT 0.9144
98 61M 0.9144
99 56D 0.9143
100 TYE 0.9143
101 HHH 0.9142
102 9BF 0.9141
103 ANN 0.9139
104 263 0.9139
105 1SV 0.9137
106 7OD 0.9136
107 FWD 0.9135
108 DPN 0.9135
109 LNR 0.9134
110 JRB 0.9132
111 BWD 0.9129
112 DHI 0.9129
113 MMS 0.9129
114 A13 0.9128
115 ISA 0.9127
116 9KH 0.9127
117 IWD 0.9124
118 MSR 0.9123
119 BQ2 0.9122
120 14W 0.9121
121 069 0.9121
122 5NI 0.9121
123 B40 0.9120
124 DAH 0.9119
125 2C2 0.9116
126 PFF 0.9116
127 OOG 0.9114
128 DOR 0.9114
129 8WO 0.9113
130 NHG 0.9113
131 2UZ 0.9112
132 APG 0.9111
133 DHY 0.9109
134 E35 0.9108
135 363 0.9108
136 M1Z 0.9106
137 ORO 0.9105
138 EV0 0.9104
139 A5E 0.9104
140 NFM 0.9102
141 TOH 0.9101
142 HNH 0.9101
143 1XA 0.9101
144 SQV 0.9099
145 97T 0.9098
146 0HO 0.9098
147 2HC 0.9096
148 AS3 0.9094
149 CPZ 0.9094
150 ALE 0.9090
151 CK2 0.9088
152 JF6 0.9086
153 X11 0.9086
154 15N 0.9085
155 6HO 0.9083
156 ZZ2 0.9082
157 MXD 0.9082
158 3IL 0.9081
159 PCS 0.9081
160 L13 0.9080
161 BPY 0.9079
162 LGT 0.9078
163 92K 0.9075
164 AKG 0.9073
165 IOS 0.9072
166 2F6 0.9071
167 KJM 0.9070
168 XCZ 0.9070
169 CH9 0.9070
170 6TZ 0.9069
171 TGX 0.9069
172 5RO 0.9068
173 OMD 0.9068
174 A9P 0.9067
175 XDE 0.9066
176 3A9 0.9066
177 4P5 0.9065
178 9FL 0.9065
179 HHS 0.9065
180 ICB 0.9065
181 EKZ 0.9065
182 8OZ 0.9065
183 ESX 0.9059
184 2K8 0.9057
185 1Z6 0.9056
186 J9N 0.9056
187 0JD 0.9054
188 3PF 0.9054
189 6OT 0.9051
190 SQ4 0.9051
191 GLU 0.9050
192 M6H 0.9050
193 FA3 0.9049
194 ASC 0.9049
195 M74 0.9048
196 173 0.9045
197 N2I 0.9045
198 HSX 0.9043
199 268 0.9042
200 4V2 0.9041
201 EGR 0.9041
202 7ME 0.9041
203 TCA 0.9041
204 ABI 0.9039
205 X0V 0.9039
206 KDG 0.9038
207 XEN 0.9038
208 PRO GLY 0.9038
209 LFC 0.9037
210 HDL 0.9035
211 BZ2 0.9034
212 XIZ 0.9033
213 4BY 0.9033
214 0F9 0.9032
215 JVN 0.9032
216 5OO 0.9030
217 A5H 0.9030
218 HJ8 0.9030
219 51R 0.9030
220 RUY 0.9029
221 3QM 0.9028
222 293 0.9028
223 4I8 0.9027
224 OGA 0.9027
225 3AL 0.9026
226 LTN 0.9026
227 DEW 0.9025
228 44V 0.9025
229 GF4 0.9025
230 7VP 0.9024
231 QX4 0.9024
232 1WC 0.9024
233 HQ9 0.9023
234 RLG 0.9023
235 YTX 0.9023
236 12T 0.9023
237 JF2 0.9021
238 SQ7 0.9021
239 EN1 0.9019
240 3ZB 0.9019
241 23J 0.9019
242 ODO 0.9019
243 92G 0.9019
244 J9Q 0.9017
245 8ZE 0.9016
246 IAC 0.9015
247 PJW 0.9015
248 OTR 0.9015
249 KTA 0.9014
250 IFP 0.9014
251 MTL 0.9013
252 4BF 0.9011
253 HPT 0.9011
254 SYM 0.9011
255 B62 0.9009
256 C2Y 0.9007
257 5QY 0.9006
258 4LW 0.9004
259 J9T 0.9004
260 258 0.9003
261 ONR 0.9003
262 3TC 0.9003
263 DQU 0.9002
264 KTJ 0.9002
265 GLR 0.9002
266 CFA 0.9002
267 SYC 0.9001
268 CH8 0.9000
269 269 0.8999
270 DDU 0.8999
271 78Y 0.8998
272 MJ5 0.8998
273 0NX 0.8998
274 F16 0.8996
275 9RH 0.8996
276 TWO 0.8996
277 9R5 0.8995
278 R9S 0.8993
279 YPN 0.8992
280 K6H 0.8992
281 NVU 0.8991
282 FDR 0.8991
283 XQI 0.8990
284 SNU 0.8990
285 FK8 0.8989
286 MNN 0.8988
287 CK1 0.8987
288 FBW 0.8986
289 DTR 0.8985
290 791 0.8985
291 OHP 0.8984
292 RMN 0.8983
293 R9M 0.8982
294 ITW 0.8982
295 T2D 0.8981
296 4LV 0.8981
297 JDN 0.8978
298 6KT 0.8977
299 MQB 0.8977
300 F52 0.8977
301 MUC 0.8977
302 1L5 0.8976
303 A09 0.8974
304 PBA 0.8974
305 5F5 0.8973
306 HSO 0.8973
307 M5H 0.8972
308 5HY 0.8972
309 TYL 0.8972
310 92P 0.8971
311 CLT 0.8971
312 PZI 0.8971
313 KYN 0.8971
314 OHJ 0.8969
315 1BN 0.8968
316 X48 0.8968
317 HDH 0.8966
318 7R4 0.8966
319 GNW 0.8966
320 4XF 0.8964
321 DAL DAL 0.8960
322 HC4 0.8958
323 5XC 0.8956
324 FUD 0.8955
325 TYC 0.8955
326 HHI 0.8955
327 0OC 0.8954
328 Q02 0.8952
329 C53 0.8952
330 STT 0.8951
331 ABF 0.8950
332 4HP 0.8950
333 PF1 0.8949
334 1DJ 0.8948
335 94W 0.8948
336 GCO 0.8947
337 6ME 0.8945
338 52C 0.8945
339 PAC 0.8944
340 N4B 0.8944
341 ISZ 0.8943
342 M5E 0.8943
343 W8G 0.8943
344 2HG 0.8942
345 VM1 0.8941
346 6J9 0.8941
347 J0Z 0.8940
348 PMF 0.8940
349 DZA 0.8939
350 FHC 0.8938
351 HPP 0.8938
352 D1X 0.8938
353 ZZZ 0.8938
354 463 0.8938
355 7UZ 0.8937
356 2LT 0.8937
357 N9J 0.8935
358 4ME 0.8935
359 RP5 0.8934
360 3C4 0.8934
361 7MU 0.8934
362 MEQ 0.8930
363 XYH 0.8930
364 VXX 0.8930
365 K5W 0.8929
366 PIM 0.8929
367 9UL 0.8928
368 E4P 0.8927
369 3PG 0.8926
370 LL2 0.8925
371 PHI 0.8925
372 CLU 0.8925
373 PH2 0.8924
374 MJ2 0.8924
375 NYL 0.8923
376 SER PRO 0.8923
377 CWJ 0.8923
378 M3E 0.8923
379 6FB 0.8923
380 GRO 0.8922
381 6J5 0.8922
382 P58 0.8921
383 TIH 0.8919
384 IJZ 0.8919
385 MO8 0.8919
386 UFV 0.8918
387 2BX 0.8918
388 E79 0.8917
389 QY9 0.8915
390 RAT 0.8915
391 B41 0.8915
392 KBB 0.8914
393 MP5 0.8912
394 B4O 0.8911
395 795 0.8911
396 IYR 0.8909
397 HPS 0.8909
398 BZ3 0.8909
399 4PN 0.8906
400 FPL 0.8905
401 PRZ 0.8905
402 B2J 0.8904
403 6Q3 0.8902
404 CFI 0.8902
405 TSS 0.8902
406 SRO 0.8901
407 SD4 0.8901
408 ZON 0.8901
409 YOF 0.8900
410 4OG 0.8900
411 M3H 0.8899
412 URO 0.8897
413 INO 0.8897
414 DHK 0.8895
415 THU 0.8895
416 4ZD 0.8894
417 AEG 0.8894
418 TSR 0.8893
419 SDD 0.8892
420 KDF 0.8892
421 ARG 0.8890
422 EXR 0.8890
423 GWM 0.8889
424 8XL 0.8889
425 15E 0.8889
426 4YO 0.8889
427 GAE 0.8888
428 7N0 0.8887
429 DGL 0.8886
430 BHO 0.8886
431 I4B 0.8885
432 E0O 0.8885
433 GTK 0.8884
434 FEH 0.8884
435 4Z9 0.8883
436 C82 0.8882
437 PRA 0.8881
438 LDP 0.8881
439 CXP 0.8881
440 N2Z 0.8880
441 3MF 0.8880
442 NIZ 0.8880
443 HL5 0.8878
444 ICO 0.8878
445 Q03 0.8877
446 C0H 0.8877
447 O2Y 0.8876
448 CIT 0.8876
449 DQA 0.8875
450 53C 0.8873
451 DGN 0.8873
452 PH3 0.8873
453 SOL 0.8873
454 ALA ALA 0.8873
455 BTM 0.8872
456 TLM 0.8871
457 GLN 0.8871
458 3FH 0.8871
459 3YP 0.8870
460 MWP 0.8870
461 505 0.8869
462 D2G 0.8869
463 57O 0.8868
464 DXG 0.8867
465 7BC 0.8867
466 5WZ 0.8866
467 LTT 0.8866
468 36Y 0.8866
469 DHB 0.8863
470 6XI 0.8863
471 AVI 0.8862
472 PLP 0.8862
473 4NC 0.8860
474 GJP 0.8858
475 BL0 0.8858
476 3AB 0.8858
477 2D8 0.8858
478 6DP 0.8857
479 IFG 0.8857
480 DS0 0.8856
481 492 0.8855
482 Q06 0.8855
483 Q9Z 0.8855
484 RA7 0.8854
485 AW5 0.8853
486 B85 0.8852
487 SOR 0.8852
488 FBM 0.8852
489 0FK 0.8851
490 FOT 0.8851
491 BNF 0.8851
492 GBN 0.8848
493 7O4 0.8848
494 C2U 0.8848
495 EOL 0.8846
496 5RG 0.8846
497 1VK 0.8845
498 LEL 0.8845
499 FF3 0.8844
500 4FH 0.8844
501 4VY 0.8844
502 AVA 0.8843
503 42C 0.8843
504 SSC 0.8842
505 54G 0.8840
506 4TU 0.8840
507 ZIQ 0.8839
508 HHT 0.8838
509 B09 0.8838
510 I1E 0.8838
511 49O 0.8837
512 2IT 0.8837
513 2V0 0.8836
514 SBK 0.8836
515 5GU 0.8835
516 H4E 0.8835
517 5M0 0.8835
518 GZL 0.8834
519 GZ2 0.8834
520 X0U 0.8834
521 FA1 0.8833
522 TZF 0.8833
523 YZM 0.8833
524 UNJ 0.8832
525 DBX 0.8832
526 TMG 0.8831
527 JF1 0.8831
528 PPT 0.8831
529 APS 0.8829
530 KFH 0.8826
531 FBV 0.8826
532 PSJ 0.8825
533 GAB 0.8825
534 8U3 0.8824
535 LVD 0.8824
536 QMP 0.8824
537 F9P 0.8823
538 SHA 0.8823
539 AKH 0.8822
540 3HB 0.8822
541 HGA 0.8819
542 QMS 0.8819
543 7QD 0.8818
544 ES2 0.8816
545 MXN 0.8815
546 DNB 0.8813
547 9F8 0.8810
548 EWG 0.8810
549 DE5 0.8810
550 CTE 0.8810
551 UN1 0.8809
552 3BU 0.8809
553 2PG 0.8808
554 NLQ 0.8807
555 LLH 0.8806
556 F31 0.8805
557 HHR 0.8805
558 NGO 0.8805
559 HXY 0.8803
560 XRS 0.8802
561 M02 0.8802
562 H7Y 0.8800
563 6L6 0.8799
564 R9J 0.8798
565 5JT 0.8798
566 SEP 0.8797
567 0A1 0.8796
568 1P8 0.8796
569 EPR 0.8796
570 G8M 0.8795
571 AAN 0.8795
572 QBS 0.8795
573 PBN 0.8794
574 T9G 0.8794
575 HJ7 0.8794
576 3VW 0.8792
577 AM1 0.8792
578 S2G 0.8792
579 AHC 0.8792
580 BDP 0.8791
581 RNS 0.8790
582 Q6T 0.8790
583 NMJ 0.8789
584 F69 0.8789
585 0FR 0.8787
586 DEE 0.8787
587 DCZ 0.8786
588 C9E 0.8786
589 PHU 0.8786
590 5WN 0.8785
591 0BP 0.8783
592 PRF 0.8782
593 YF3 0.8781
594 1P3 0.8781
595 50C 0.8781
596 ISC 0.8780
597 KTW 0.8778
598 ZZA 0.8778
599 GTQ 0.8778
600 AOS 0.8778
601 RVE 0.8778
602 DUR 0.8776
603 LYS 0.8776
604 FB1 0.8776
605 CCV 0.8774
606 36M 0.8773
607 4CS 0.8772
608 13P 0.8771
609 PLR 0.8771
610 FCD 0.8771
611 GTR 0.8770
612 PMB 0.8770
613 EQA 0.8770
614 N2Y 0.8769
615 S0W 0.8767
616 2B4 0.8767
617 JG8 0.8767
618 SVD 0.8767
619 F90 0.8767
620 MQN 0.8766
621 PIY 0.8764
622 3B4 0.8764
623 GJZ 0.8764
624 GLO 0.8763
625 LT1 0.8762
626 OSB 0.8761
627 7C3 0.8760
628 MES 0.8759
629 3SU 0.8759
630 FB2 0.8759
631 PQT 0.8758
632 SR1 0.8756
633 BCU 0.8756
634 EYK 0.8755
635 S7G 0.8754
636 CTS 0.8752
637 DJN 0.8752
638 PEP 0.8751
639 MUA 0.8751
640 40F 0.8750
641 TR7 0.8748
642 2KU 0.8747
643 A3M 0.8746
644 CLZ 0.8744
645 78U 0.8744
646 9PL 0.8744
647 BHH 0.8744
648 Z70 0.8744
649 1QP 0.8743
650 BK9 0.8743
651 A6H 0.8743
652 4XV 0.8743
653 BZS 0.8743
654 BZQ 0.8743
655 QLI 0.8741
656 4JT 0.8741
657 IVL 0.8739
658 XSP 0.8739
659 MNP 0.8739
660 3OC 0.8738
661 9TZ 0.8738
662 TPA 0.8736
663 4RU 0.8736
664 4Z3 0.8735
665 NGT 0.8734
666 7MX 0.8733
667 1X4 0.8732
668 2TQ 0.8732
669 5RN 0.8732
670 JPQ 0.8732
671 C1M 0.8730
672 SLC 0.8730
673 RNT 0.8730
674 QH3 0.8730
675 0LH 0.8726
676 GRQ 0.8724
677 ADA 0.8724
678 L99 0.8724
679 ISD 0.8724
680 34D 0.8723
681 AL0 0.8723
682 2UD 0.8722
683 M3Q 0.8721
684 SYG 0.8720
685 K97 0.8719
686 NPA 0.8719
687 44W 0.8718
688 M45 0.8716
689 R1P 0.8716
690 5FN 0.8715
691 EQW 0.8715
692 DXP 0.8714
693 I38 0.8714
694 L21 0.8713
695 AEH 0.8713
696 ING 0.8712
697 S7A 0.8712
698 PKU 0.8711
699 ZYR 0.8711
700 LYL 0.8708
701 LDC 0.8707
702 4RW 0.8707
703 HLP 0.8706
704 SV4 0.8704
705 CMU 0.8704
706 PMP 0.8703
707 XXG 0.8702
708 DBH 0.8701
709 0TU 0.8701
710 GGB 0.8701
711 URI 0.8700
712 ICT 0.8700
713 7UC 0.8700
714 L03 0.8700
715 54Z 0.8697
716 4BL 0.8697
717 9B3 0.8695
718 ALN 0.8695
719 XLS 0.8695
720 E1T 0.8694
721 6HP 0.8694
722 DA4 0.8693
723 MPK 0.8693
724 8SZ 0.8692
725 EXL 0.8691
726 NLA 0.8690
727 GGL 0.8690
728 DHS 0.8687
729 41K 0.8687
730 FBB 0.8686
731 3HA 0.8686
732 4XS 0.8685
733 EGV 0.8685
734 9ON 0.8685
735 XXP 0.8682
736 0QW 0.8682
737 2LY 0.8680
738 G3H 0.8679
739 G3P 0.8679
740 BEA 0.8678
741 4FP 0.8678
742 261 0.8677
743 ONL 0.8676
744 XRX 0.8676
745 344 0.8675
746 AVO 0.8675
747 AHN 0.8672
748 ARP 0.8671
749 REL 0.8670
750 2LP 0.8669
751 XX3 0.8669
752 1FD 0.8666
753 657 0.8666
754 2CL 0.8664
755 3MV 0.8662
756 ODK 0.8662
757 9PY 0.8662
758 2HU 0.8661
759 42J 0.8659
760 DER 0.8659
761 1IT 0.8657
762 5RP 0.8657
763 5AE 0.8656
764 FOC 0.8656
765 NGW 0.8656
766 5MK 0.8654
767 RCV 0.8654
768 DLT 0.8654
769 RJY 0.8653
770 9CA 0.8653
771 XM0 0.8653
772 GP9 0.8652
773 ET2 0.8652
774 K34 0.8651
775 1AL 0.8651
776 K2T 0.8649
777 QIC 0.8648
778 OSE 0.8646
779 AY4 0.8646
780 XHP 0.8645
781 P84 0.8641
782 8HC 0.8640
783 5XB 0.8639
784 JAW 0.8639
785 NLG 0.8639
786 ST3 0.8639
787 0OL 0.8638
788 JZA 0.8638
789 H4B 0.8638
790 BSX 0.8638
791 1SS 0.8638
792 OTW 0.8638
793