Receptor
PDB id Resolution Class Description Source Keywords
1VSO 1.85 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE LIGAND-BINDING CORE OF IGLUR5 IN CO THE ANTAGONIST (S)-ATPO AT 1.85 A RESOLUTION RATTUS NORVEGICUS ANTAGONIST COMPLEX MEMBRANE PROTEIN
Ref.: PARTIAL AGONISM AND ANTAGONISM OF THE IONOTROPIC GL RECEPTOR IGLUR5: STRUCTURES OF THE LIGAND-BINDING C COMPLEX WITH DOMOIC ACID AND 2-AMINO-3-[5-TERT-BUTYL-3-(PHOSPHONOMETHOXY) -4-ISOXAZOLYL]PROPIONIC ACID. J.BIOL.CHEM. V. 282 25726
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AT1 A:258;
Valid;
none;
Ki = 18980 nM
322.252 C11 H19 N2 O7 P CC(C)...
GOL A:400;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FV1 1.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE HUMAN GLUTAMATE RECEPTOR, GLUR5, LI BINDING CORE IN COMPLEX WITH DYSIHERBAINE IN SPACE GROUP P1 HOMO SAPIENS NATURAL COMPOUND GLUTAMATE RECEPTOR LIGAND MEMBRANE PROTE
Ref.: BINDING AND SELECTIVITY OF THE MARINE TOXIN NEODYSI A AND ITS SYNTHETIC ANALOGUES TO GLUK1 AND GLUK2 KA RECEPTORS. J.MOL.BIOL. V. 413 667 2011
Members (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 301 families.
1 4QF9 Ki = 16.1 uM 35K C12 H13 N3 O4 c1cc2c(cc1....
2 1TXF Ki = 57.2 nM GLU C5 H9 N O4 C(CC(=O)O)....
3 3GBB Ki = 126 nM MS8 C11 H17 N O6 C1C[C@@H]2....
4 5MFQ - 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
5 3FVN Ki = 169 nM 9DX C11 H17 N O7 C1CO[C@@H]....
6 1YCJ - GLU C5 H9 N O4 C(CC(=O)O)....
7 3C35 - KAI C10 H15 N O4 CC(=C)[C@H....
8 5MFW - KAI C10 H15 N O4 CC(=C)[C@H....
9 3C31 - KAI C10 H15 N O4 CC(=C)[C@H....
10 3FV1 Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
11 3C34 - KAI C10 H15 N O4 CC(=C)[C@H....
12 2F36 - GLU C5 H9 N O4 C(CC(=O)O)....
13 3GBA Ki = 0.848 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
14 6SBT Ki = 43 nM L5H C19 H12 F3 N5 O3 c1ccc(cc1)....
15 3FV2 Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
16 2QS4 Kd = 38 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
17 2QS3 Kd = 1.4 nM UBE C20 H19 N3 O6 S CC1=CN(C(=....
18 2OJT - UBA C14 H15 N3 O6 S CC1=CN(C(=....
19 3C33 - KAI C10 H15 N O4 CC(=C)[C@H....
20 2WKY Ki = 2.57 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
21 2PBW Ki = 5.56 nM DOQ C15 H21 N O6 C[C@H](C=C....
22 4YMB Ki = 0.62 uM 4E7 C15 H19 N O4 CCC[C@@H]1....
23 6FZ4 Ki = 1.12 uM EC8 C16 H9 F4 N3 O4 c1ccc(c(c1....
24 3FVG Ki = 128 nM MS8 C11 H17 N O6 C1C[C@@H]2....
25 3C36 - KAI C10 H15 N O4 CC(=C)[C@H....
26 2F34 Kd = 0.13 uM UBA C14 H15 N3 O6 S CC1=CN(C(=....
27 3C32 - KAI C10 H15 N O4 CC(=C)[C@H....
28 2QS2 Kd = 186 nM UBF C13 H12 Br N3 O6 S c1csc(c1CN....
29 4DLD Ki = 1.5 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
30 3FVK Ki = 1.5 nM 8DX C11 H17 N O7 C1[C@@H](C....
31 2ZNU Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
32 3S2V Ki = 157 nM 3HU C15 H13 N3 O6 S2 c1csc(c1CN....
33 2QS1 Kd = 33 nM UB1 C14 H13 Br2 N3 O6 S CC1=CN(C(=....
34 4E0X - KAI C10 H15 N O4 CC(=C)[C@H....
35 5MFV - KAI C10 H15 N O4 CC(=C)[C@H....
36 2ZNT Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
37 2F35 Kd = 3.94 uM UBC C15 H15 N3 O6 c1ccc(c(c1....
38 5NEB Ki = 85 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
39 1VSO Ki = 18980 nM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
70% Homology Family (252)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 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 2XHD - GLU C5 H9 N O4 C(CC(=O)O)....
20 3B7D - CNI C9 H2 N4 O4 C1=C(C(=CC....
21 4U1Z - KAI C10 H15 N O4 CC(=C)[C@H....
22 1WVJ Ki = 185 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
23 1P1U - AMQ C7 H10 N2 O4 Cc1c(c(no1....
24 4Q30 - NWD C7 H8 N4 O6 C1=C(C(=O)....
25 4U23 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
26 6Q60 - HJH C6 H10 N4 O3 Cn1nc(c(n1....
27 1MQG ic50 = 0.52 uM IWD C7 H8 I N3 O4 C1=C(C(=O)....
28 3BBR - BHY C20 H28 N2 O4 S2 C[C@@H](CN....
29 3LSF - PZI C6 H10 N2 O2 C1CC(=O)N(....
30 3PMX - 808 C18 H20 F3 N O3 S CC(C)S(=O)....
31 2ANJ - KAI C10 H15 N O4 CC(=C)[C@H....
32 2XX8 - 1NE C17 H18 F3 N3 O CN(C)C(=O)....
33 1P1Q Kd = 12.8 uM AMQ C7 H10 N2 O4 Cc1c(c(no1....
34 2AL5 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
35 5YBG ic50 = 0.03 uM 8SO C21 H30 N2 O4 S2 C[C@@H](CN....
36 1M5E ic50 = 20.1 nM AM1 C8 H10 N2 O5 Cc1c(c(no1....
37 3BKI ic50 = 7.6 uM FQX C8 H4 N4 O4 c1c2c(cc3c....
38 2AIX - U1K C10 H16 N2 O3 S CC(C)(C)c1....
39 3B6W - GLU C5 H9 N O4 C(CC(=O)O)....
40 2I3W - GLU C5 H9 N O4 C(CC(=O)O)....
41 3O6H - O25 C18 H22 F3 N5 O2 S CCNCc1cn(n....
42 6HCC - GLU C5 H9 N O4 C(CC(=O)O)....
43 3KGC - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
44 3BFU Ki = 531 nM R2P C5 H7 N3 O3 S C(c1c(nsn1....
45 3UA8 ic50 = 14 nM 08W C15 H13 F3 N6 O5 S CNC(=O)c1c....
46 4LZ7 - GLU C5 H9 N O4 C(CC(=O)O)....
47 1FTL ic50 = 998 nM DNQ C8 H2 N4 O6 C1=C(C(=CC....
48 3B6Q - GLU C5 H9 N O4 C(CC(=O)O)....
49 3RN8 - RN8 C22 H16 N2 O4 S2 CCc1c(c(c(....
50 1P1W - AMQ C7 H10 N2 O4 Cc1c(c(no1....
51 1MQI ic50 = 23.53 nM FWD C7 H8 F N3 O4 C1=C(C(=O)....
52 3O29 - O29 C23 H30 F3 N5 O2 S CN(C)CCNC(....
53 1FTJ ic50 = 821 nM GLU C5 H9 N O4 C(CC(=O)O)....
54 3PD9 Ki = 494 nM HA5 C7 H8 N2 O4 C1c2c(onc2....
55 1M5B ic50 = 9.7 nM BN1 C8 H10 N6 O4 Cn1nc(nn1)....
56 6HCA - FXW C22 H26 N4 O4 S2 c1cc2c(cc1....
57 3EN3 - KAI C10 H15 N O4 CC(=C)[C@H....
58 1SYH Ki = 393 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
59 4X48 - XPF C18 H20 N2 O4 S2 CC(C)S(=O)....
60 3H6W - NS7 C19 H29 N3 O4 S2 Cc1cc2c(cc....
61 1MY4 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
62 4IGT Ki = 40.8 uM 3ZA C9 H16 N2 O6 CN(C(=O)CC....
63 3M3L - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
64 6GL4 - GLU C5 H9 N O4 C(CC(=O)O)....
65 5CBR Kd = 1.8 uM 4ZK C14 H12 Cl2 N2 O3 c1c(cc(c(c....
66 4GXS - 0YS C18 H21 Cl2 N3 O9 c1c(cc(c(c....
67 4U21 - FWF C24 H36 N2 O4 S2 C[C@@H](CN....
68 4YMA - 4E5 C12 H13 N O5 c1c(cc(cc1....
69 1FW0 - KAI C10 H15 N O4 CC(=C)[C@H....
70 1LB8 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
71 3FAS Ki = 171 nM GLU C5 H9 N O4 C(CC(=O)O)....
72 4U22 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
73 6FQJ - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
74 4ISU Ki = 0.21 mM IKM C12 H14 N2 O6 C1C=C[C@H]....
75 1MXU ic50 = 4 uM BWD C7 H8 Br N3 O4 C1=C(C(=O)....
76 4U4X Kd = 9.8 uM 3C2 C8 H11 N3 O2 S CCN1CNS(=O....
77 1MM7 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
78 2XX9 - 1NF C19 H19 F4 N3 O c1cc(c(cc1....
79 3M3K - GLU C5 H9 N O4 C(CC(=O)O)....
80 2XXH - 1NG C20 H22 F3 N3 O c1cc(ccc1C....
81 5ZG3 Ki = 0.061 uM 9C6 C19 H16 N2 O3 S c1ccc(cc1)....
82 5FHM - 5XP C15 H17 N7 O4 c1cc(cc(c1....
83 4N07 Kd = 0.35 uM 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
84 3IJO - GLU C5 H9 N O4 C(CC(=O)O)....
85 3RNN - RNN C16 H28 N2 O4 S2 CC(C)S(=O)....
86 2AL4 - QUS C5 H7 N3 O5 C([C@@H](C....
87 4LZ5 - GLU C5 H9 N O4 C(CC(=O)O)....
88 4U4S Kd = 1200 uM 3C1 C8 H11 N3 O2 S CCN1CNS(=O....
89 4G8M Kd = 12.8 nM G8M C7 H11 N O4 C1C[C@@H](....
90 3H6T - CYZ C14 H16 Cl N3 O4 S2 c1c2c(cc(c....
91 3O6G - O27 C23 H28 F3 N5 O2 S C1CCc2c(c(....
92 1NNP - CE2 C10 H15 N2 O4 CC(C)(C)c1....
93 5YBF Kd = 543 nM 8SR C16 H17 F3 N4 O2 S Cc1cc(nn1C....
94 1P1N Kd = 0.16 uM KAI C10 H15 N O4 CC(=C)[C@H....
95 1M5D ic50 = 9.2 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
96 5ZG1 Ki = 0.019 uM 9C0 C17 H20 N2 O2 S CC(C)(C)c1....
97 3IK6 - GLU C5 H9 N O4 C(CC(=O)O)....
98 2XXI - JAC C18 H18 F3 N3 O2 c1cc(ccc1C....
99 4O3A Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
100 3B6T - QUS C5 H7 N3 O5 C([C@@H](C....
101 6GIV - GLU C5 H9 N O4 C(CC(=O)O)....
102 4FAT - GLU C5 H9 N O4 C(CC(=O)O)....
103 3H6U - NS3 C18 H28 N4 O4 S2 Cc1cc2c(cc....
104 1NNK ic50 = 3.5 uM CE2 C10 H15 N2 O4 CC(C)(C)c1....
105 3FAT Ki = 22.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
106 3T9X - GLU C5 H9 N O4 C(CC(=O)O)....
107 1MY2 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
108 3ILT - TRU C8 H8 Cl3 N3 O4 S2 c1c2c(cc(c....
109 3O6I - O26 C20 H29 N5 O2 S CC(C)(C)c1....
110 3DLN - GLU C5 H9 N O4 C(CC(=O)O)....
111 3RTW - NWD C7 H8 N4 O6 C1=C(C(=O)....
112 1MQD ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
113 3T93 - GLU C5 H9 N O4 C(CC(=O)O)....
114 6Q54 - HJ8 C7 H12 N4 O3 CCn1c(c(nn....
115 6HCB - D45 C18 H22 N4 O4 S2 CN1CNS(=O)....
116 4F29 Ki = 0.168 uM QUS C5 H7 N3 O5 C([C@@H](C....
117 1MS7 ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
118 3R7X ic50 = 0.082 uM QSN C12 H10 N6 O6 S CS(=O)(=O)....
119 3BFT Ki = 323 nM S2P C5 H7 N3 O3 S C(c1c(nsn1....
120 6FQH - E2Q C12 H8 N4 O6 S c1cc2c(c(c....
121 5JEI - FWD C7 H8 F N3 O4 C1=C(C(=O)....
122 3O28 - O28 C19 H21 F3 N4 O2 S C1CCc2c(c(....
123 4IY6 - MQS C15 H17 N3 O C[C@H]1CCC....
124 3LSL - PZI C6 H10 N2 O2 C1CC(=O)N(....
125 2XX7 - 1ND C19 H20 F3 N3 O c1cc(ccc1C....
126 1FTM Kd = 24.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
127 2GFE - GLU C5 H9 N O4 C(CC(=O)O)....
128 4F31 Ki = 2.08 uM KAI C10 H15 N O4 CC(=C)[C@H....
129 5ZG2 - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
130 3T9U - CNI C9 H2 N4 O4 C1=C(C(=CC....
131 3T96 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
132 3KFM - KAI C10 H15 N O4 CC(=C)[C@H....
133 2I3V - GLU C5 H9 N O4 C(CC(=O)O)....
134 3T9H - KAI C10 H15 N O4 CC(=C)[C@H....
135 3PMW - G69 C18 H22 F3 N3 O3 S CC(C)S(=O)....
136 3H6V - NS6 C18 H27 N3 O4 S2 CN1CCN(CC1....
137 1LBB - KAI C10 H15 N O4 CC(=C)[C@H....
138 5BUU - 4V6 C10 H13 Cl N2 O2 S C[C@@H]1N(....
139 3H03 ic50 = 135 uM UBP C10 H13 N3 O6 C1=CN(C(=O....
140 6FQK - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
141 1LB9 - DNQ C8 H2 N4 O6 C1=C(C(=CC....
142 1N0T ic50 = 12.2 uM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
143 5ZG0 Ki = 0.082 uM 9C3 C16 H18 N2 O3 S CC(C)Oc1cc....
144 3T9V - CNI C9 H2 N4 O4 C1=C(C(=CC....
145 1GR2 - KAI C10 H15 N O4 CC(=C)[C@H....
146 5OEW - GLU C5 H9 N O4 C(CC(=O)O)....
147 3IL1 - GLU C5 H9 N O4 C(CC(=O)O)....
148 3DP6 - GLU C5 H9 N O4 C(CC(=O)O)....
149 4O3C Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
150 3RTF - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
151 6FAZ - GLU C5 H9 N O4 C(CC(=O)O)....
152 1MM6 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
153 4F3G Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
154 4IY5 - GLU C5 H9 N O4 C(CC(=O)O)....
155 4F39 Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
156 5FHO - 5XN C14 H14 Cl N6 O4 c1cc(cc(c1....
157 6HCH - D45 C18 H22 N4 O4 S2 CN1CNS(=O)....
158 2P2A Ki = 0.75 uM MP9 C14 H14 N6 O4 c1ccc(cc1)....
159 3TZA ic50 = 3.4 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
160 5NIH Ki = 237 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
161 3O2A - O30 C22 H28 F3 N5 O2 S C1CCc2c(c(....
162 4LZ8 - 1YX C19 H27 F N4 O4 S CC(C)S(=O)....
163 1MQJ ic50 = 4.76 uM HWD C7 H9 N3 O4 C1=CN(C(=O....
164 5NG9 Ki = 403 nM 8VN C7 H8 N2 O5 C1[C@H]2[C....
165 5NS9 - GLU C5 H9 N O4 C(CC(=O)O)....
166 4F1Y Kd = 0.96 uM CNI C9 H2 N4 O4 C1=C(C(=CC....
167 5ELV Kd = 0.16 uM 5PX C10 H12 N2 O3 S c1cc2c(cc1....
168 4U1O - KAI C10 H15 N O4 CC(=C)[C@H....
169 1LBC - GLU C5 H9 N O4 C(CC(=O)O)....
170 3TDJ - GLU C5 H9 N O4 C(CC(=O)O)....
171 5FHN - 5XO C15 H16 N6 O4 Cc1cccc(c1....
172 4QF9 Ki = 16.1 uM 35K C12 H13 N3 O4 c1cc2c(cc1....
173 1TXF Ki = 57.2 nM GLU C5 H9 N O4 C(CC(=O)O)....
174 3GBB Ki = 126 nM MS8 C11 H17 N O6 C1C[C@@H]2....
175 5MFQ - 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
176 3FVN Ki = 169 nM 9DX C11 H17 N O7 C1CO[C@@H]....
177 1YCJ - GLU C5 H9 N O4 C(CC(=O)O)....
178 3C35 - KAI C10 H15 N O4 CC(=C)[C@H....
179 5MFW - KAI C10 H15 N O4 CC(=C)[C@H....
180 3C31 - KAI C10 H15 N O4 CC(=C)[C@H....
181 3FV1 Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
182 3C34 - KAI C10 H15 N O4 CC(=C)[C@H....
183 2F36 - GLU C5 H9 N O4 C(CC(=O)O)....
184 3GBA Ki = 0.848 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
185 6SBT Ki = 43 nM L5H C19 H12 F3 N5 O3 c1ccc(cc1)....
186 3FV2 Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
187 2QS4 Kd = 38 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
188 2QS3 Kd = 1.4 nM UBE C20 H19 N3 O6 S CC1=CN(C(=....
189 2OJT - UBA C14 H15 N3 O6 S CC1=CN(C(=....
190 3C33 - KAI C10 H15 N O4 CC(=C)[C@H....
191 2WKY Ki = 2.57 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
192 2PBW Ki = 5.56 nM DOQ C15 H21 N O6 C[C@H](C=C....
193 4YMB Ki = 0.62 uM 4E7 C15 H19 N O4 CCC[C@@H]1....
194 6FZ4 Ki = 1.12 uM EC8 C16 H9 F4 N3 O4 c1ccc(c(c1....
195 3FVG Ki = 128 nM MS8 C11 H17 N O6 C1C[C@@H]2....
196 3C36 - KAI C10 H15 N O4 CC(=C)[C@H....
197 2F34 Kd = 0.13 uM UBA C14 H15 N3 O6 S CC1=CN(C(=....
198 3C32 - KAI C10 H15 N O4 CC(=C)[C@H....
199 2QS2 Kd = 186 nM UBF C13 H12 Br N3 O6 S c1csc(c1CN....
200 4DLD Ki = 1.5 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
201 3FVK Ki = 1.5 nM 8DX C11 H17 N O7 C1[C@@H](C....
202 2ZNU Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
203 3S2V Ki = 157 nM 3HU C15 H13 N3 O6 S2 c1csc(c1CN....
204 2QS1 Kd = 33 nM UB1 C14 H13 Br2 N3 O6 S CC1=CN(C(=....
205 4E0X - KAI C10 H15 N O4 CC(=C)[C@H....
206 5MFV - KAI C10 H15 N O4 CC(=C)[C@H....
207 2ZNT Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
208 2F35 Kd = 3.94 uM UBC C15 H15 N3 O6 c1ccc(c(c1....
209 5NEB Ki = 85 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
210 1VSO Ki = 18980 nM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
211 6JMV - SYM C6 H10 N O4 C[C@H](C[C....
212 4MH5 Ki = 7.43 uM GGL C5 H9 N O4 C(CC(=O)O)....
213 3U92 - KAI C10 H15 N O4 CC(=C)[C@H....
214 4E0W - KAI C10 H15 N O4 CC(=C)[C@H....
215 5O4F Ki = 22 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
216 4NWC Ki = 1.74 uM 2QE C9 H15 N O6 COC(=O)CC[....
217 4G8N Kd = 63 nM G8M C7 H11 N O4 C1C[C@@H](....
218 6F28 Ki = 2.15 uM CG8 C10 H14 N4 O4 CN1CC2=C(C....
219 5EHM - OEM C5 H9 N O4 CN[C@H](CC....
220 5EHS - 2JJ C5 H12 N O5 P C(C[C@H](C....
221 5DTB - GLU C5 H9 N O4 C(CC(=O)O)....
222 4F2O Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
223 3DP4 Kd = 43 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
224 4F22 Ki = 30.26 uM KAI C10 H15 N O4 CC(=C)[C@H....
225 4F3B Ki = 1.271 uM GLU C5 H9 N O4 C(CC(=O)O)....
226 4F2Q Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
227 3RT8 - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
228 3M3F - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
229 3LSX - PZI C6 H10 N2 O2 C1CC(=O)N(....
230 3LSW - GLU C5 H9 N O4 C(CC(=O)O)....
231 4H8I - 11W C20 H21 N3 O4 c1ccc(cc1)....
232 4BDQ - CYS C3 H7 N O2 S C([C@@H](C....
233 2XXW - GLU C5 H9 N O4 C(CC(=O)O)....
234 1SD3 - SYM C6 H10 N O4 C[C@H](C[C....
235 2XXX - GLU C5 H9 N O4 C(CC(=O)O)....
236 2XXR - GLU C5 H9 N O4 C(CC(=O)O)....
237 3QXM Ki = 33 nM NDZ C11 H17 N O8 C1[C@@H]2[....
238 1S9T Ki = 253 nM QUS C5 H7 N3 O5 C([C@@H](C....
239 4BDR - KAI C10 H15 N O4 CC(=C)[C@H....
240 2XXT - KAI C10 H15 N O4 CC(=C)[C@H....
241 5CMM - SYM C6 H10 N O4 C[C@H](C[C....
242 2XXU - GLU C5 H9 N O4 C(CC(=O)O)....
243 4BDN - GLU C5 H9 N O4 C(CC(=O)O)....
244 1S50 Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
245 2XXV - KAI C10 H15 N O4 CC(=C)[C@H....
246 5CMK ic50 = 30 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
247 4BDL - GLU C5 H9 N O4 C(CC(=O)O)....
248 1S7Y Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
249 1TT1 Ki = 64.6 nM KAI C10 H15 N O4 CC(=C)[C@H....
250 5IKB Kd = 1.9 nM KAI C10 H15 N O4 CC(=C)[C@H....
251 5DT6 - GLU C5 H9 N O4 C(CC(=O)O)....
252 5ICT - GLU C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (259)
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 2XHD - GLU C5 H9 N O4 C(CC(=O)O)....
20 3B7D - CNI C9 H2 N4 O4 C1=C(C(=CC....
21 4U1Z - KAI C10 H15 N O4 CC(=C)[C@H....
22 1WVJ Ki = 185 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
23 1P1U - AMQ C7 H10 N2 O4 Cc1c(c(no1....
24 4Q30 - NWD C7 H8 N4 O6 C1=C(C(=O)....
25 4U23 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
26 6Q60 - HJH C6 H10 N4 O3 Cn1nc(c(n1....
27 1MQG ic50 = 0.52 uM IWD C7 H8 I N3 O4 C1=C(C(=O)....
28 3BBR - BHY C20 H28 N2 O4 S2 C[C@@H](CN....
29 3LSF - PZI C6 H10 N2 O2 C1CC(=O)N(....
30 3PMX - 808 C18 H20 F3 N O3 S CC(C)S(=O)....
31 2ANJ - KAI C10 H15 N O4 CC(=C)[C@H....
32 2XX8 - 1NE C17 H18 F3 N3 O CN(C)C(=O)....
33 1P1Q Kd = 12.8 uM AMQ C7 H10 N2 O4 Cc1c(c(no1....
34 2AL5 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
35 5YBG ic50 = 0.03 uM 8SO C21 H30 N2 O4 S2 C[C@@H](CN....
36 1M5E ic50 = 20.1 nM AM1 C8 H10 N2 O5 Cc1c(c(no1....
37 3BKI ic50 = 7.6 uM FQX C8 H4 N4 O4 c1c2c(cc3c....
38 2AIX - U1K C10 H16 N2 O3 S CC(C)(C)c1....
39 3B6W - GLU C5 H9 N O4 C(CC(=O)O)....
40 2I3W - GLU C5 H9 N O4 C(CC(=O)O)....
41 3O6H - O25 C18 H22 F3 N5 O2 S CCNCc1cn(n....
42 6HCC - GLU C5 H9 N O4 C(CC(=O)O)....
43 3KGC - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
44 3BFU Ki = 531 nM R2P C5 H7 N3 O3 S C(c1c(nsn1....
45 3UA8 ic50 = 14 nM 08W C15 H13 F3 N6 O5 S CNC(=O)c1c....
46 4LZ7 - GLU C5 H9 N O4 C(CC(=O)O)....
47 1FTL ic50 = 998 nM DNQ C8 H2 N4 O6 C1=C(C(=CC....
48 3B6Q - GLU C5 H9 N O4 C(CC(=O)O)....
49 3RN8 - RN8 C22 H16 N2 O4 S2 CCc1c(c(c(....
50 1P1W - AMQ C7 H10 N2 O4 Cc1c(c(no1....
51 1MQI ic50 = 23.53 nM FWD C7 H8 F N3 O4 C1=C(C(=O)....
52 3O29 - O29 C23 H30 F3 N5 O2 S CN(C)CCNC(....
53 1FTJ ic50 = 821 nM GLU C5 H9 N O4 C(CC(=O)O)....
54 3PD9 Ki = 494 nM HA5 C7 H8 N2 O4 C1c2c(onc2....
55 1M5B ic50 = 9.7 nM BN1 C8 H10 N6 O4 Cn1nc(nn1)....
56 6HCA - FXW C22 H26 N4 O4 S2 c1cc2c(cc1....
57 3EN3 - KAI C10 H15 N O4 CC(=C)[C@H....
58 1SYH Ki = 393 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
59 4X48 - XPF C18 H20 N2 O4 S2 CC(C)S(=O)....
60 3H6W - NS7 C19 H29 N3 O4 S2 Cc1cc2c(cc....
61 1MY4 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
62 4IGT Ki = 40.8 uM 3ZA C9 H16 N2 O6 CN(C(=O)CC....
63 3M3L - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
64 6GL4 - GLU C5 H9 N O4 C(CC(=O)O)....
65 5CBR Kd = 1.8 uM 4ZK C14 H12 Cl2 N2 O3 c1c(cc(c(c....
66 4GXS - 0YS C18 H21 Cl2 N3 O9 c1c(cc(c(c....
67 4U21 - FWF C24 H36 N2 O4 S2 C[C@@H](CN....
68 4YMA - 4E5 C12 H13 N O5 c1c(cc(cc1....
69 1FW0 - KAI C10 H15 N O4 CC(=C)[C@H....
70 1LB8 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
71 3FAS Ki = 171 nM GLU C5 H9 N O4 C(CC(=O)O)....
72 4U22 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
73 6FQJ - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
74 4ISU Ki = 0.21 mM IKM C12 H14 N2 O6 C1C=C[C@H]....
75 1MXU ic50 = 4 uM BWD C7 H8 Br N3 O4 C1=C(C(=O)....
76 4U4X Kd = 9.8 uM 3C2 C8 H11 N3 O2 S CCN1CNS(=O....
77 1MM7 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
78 2XX9 - 1NF C19 H19 F4 N3 O c1cc(c(cc1....
79 3M3K - GLU C5 H9 N O4 C(CC(=O)O)....
80 2XXH - 1NG C20 H22 F3 N3 O c1cc(ccc1C....
81 5ZG3 Ki = 0.061 uM 9C6 C19 H16 N2 O3 S c1ccc(cc1)....
82 5FHM - 5XP C15 H17 N7 O4 c1cc(cc(c1....
83 4N07 Kd = 0.35 uM 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
84 3IJO - GLU C5 H9 N O4 C(CC(=O)O)....
85 3RNN - RNN C16 H28 N2 O4 S2 CC(C)S(=O)....
86 2AL4 - QUS C5 H7 N3 O5 C([C@@H](C....
87 4LZ5 - GLU C5 H9 N O4 C(CC(=O)O)....
88 4U4S Kd = 1200 uM 3C1 C8 H11 N3 O2 S CCN1CNS(=O....
89 4G8M Kd = 12.8 nM G8M C7 H11 N O4 C1C[C@@H](....
90 3H6T - CYZ C14 H16 Cl N3 O4 S2 c1c2c(cc(c....
91 3O6G - O27 C23 H28 F3 N5 O2 S C1CCc2c(c(....
92 1NNP - CE2 C10 H15 N2 O4 CC(C)(C)c1....
93 5YBF Kd = 543 nM 8SR C16 H17 F3 N4 O2 S Cc1cc(nn1C....
94 1P1N Kd = 0.16 uM KAI C10 H15 N O4 CC(=C)[C@H....
95 1M5D ic50 = 9.2 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
96 5ZG1 Ki = 0.019 uM 9C0 C17 H20 N2 O2 S CC(C)(C)c1....
97 3IK6 - GLU C5 H9 N O4 C(CC(=O)O)....
98 2XXI - JAC C18 H18 F3 N3 O2 c1cc(ccc1C....
99 4O3A Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
100 3B6T - QUS C5 H7 N3 O5 C([C@@H](C....
101 6GIV - GLU C5 H9 N O4 C(CC(=O)O)....
102 4FAT - GLU C5 H9 N O4 C(CC(=O)O)....
103 3H6U - NS3 C18 H28 N4 O4 S2 Cc1cc2c(cc....
104 1NNK ic50 = 3.5 uM CE2 C10 H15 N2 O4 CC(C)(C)c1....
105 3FAT Ki = 22.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
106 3T9X - GLU C5 H9 N O4 C(CC(=O)O)....
107 1MY2 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
108 3ILT - TRU C8 H8 Cl3 N3 O4 S2 c1c2c(cc(c....
109 3O6I - O26 C20 H29 N5 O2 S CC(C)(C)c1....
110 3DLN - GLU C5 H9 N O4 C(CC(=O)O)....
111 3RTW - NWD C7 H8 N4 O6 C1=C(C(=O)....
112 1MQD ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
113 3T93 - GLU C5 H9 N O4 C(CC(=O)O)....
114 6Q54 - HJ8 C7 H12 N4 O3 CCn1c(c(nn....
115 6HCB - D45 C18 H22 N4 O4 S2 CN1CNS(=O)....
116 4F29 Ki = 0.168 uM QUS C5 H7 N3 O5 C([C@@H](C....
117 1MS7 ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
118 3R7X ic50 = 0.082 uM QSN C12 H10 N6 O6 S CS(=O)(=O)....
119 3BFT Ki = 323 nM S2P C5 H7 N3 O3 S C(c1c(nsn1....
120 6FQH - E2Q C12 H8 N4 O6 S c1cc2c(c(c....
121 5JEI - FWD C7 H8 F N3 O4 C1=C(C(=O)....
122 3O28 - O28 C19 H21 F3 N4 O2 S C1CCc2c(c(....
123 4IY6 - MQS C15 H17 N3 O C[C@H]1CCC....
124 3LSL - PZI C6 H10 N2 O2 C1CC(=O)N(....
125 2XX7 - 1ND C19 H20 F3 N3 O c1cc(ccc1C....
126 1FTM Kd = 24.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
127 2GFE - GLU C5 H9 N O4 C(CC(=O)O)....
128 4F31 Ki = 2.08 uM KAI C10 H15 N O4 CC(=C)[C@H....
129 5ZG2 - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
130 3T9U - CNI C9 H2 N4 O4 C1=C(C(=CC....
131 3T96 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
132 3KFM - KAI C10 H15 N O4 CC(=C)[C@H....
133 2I3V - GLU C5 H9 N O4 C(CC(=O)O)....
134 3T9H - KAI C10 H15 N O4 CC(=C)[C@H....
135 3PMW - G69 C18 H22 F3 N3 O3 S CC(C)S(=O)....
136 3H6V - NS6 C18 H27 N3 O4 S2 CN1CCN(CC1....
137 1LBB - KAI C10 H15 N O4 CC(=C)[C@H....
138 5BUU - 4V6 C10 H13 Cl N2 O2 S C[C@@H]1N(....
139 3H03 ic50 = 135 uM UBP C10 H13 N3 O6 C1=CN(C(=O....
140 6FQK - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
141 1LB9 - DNQ C8 H2 N4 O6 C1=C(C(=CC....
142 1N0T ic50 = 12.2 uM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
143 5ZG0 Ki = 0.082 uM 9C3 C16 H18 N2 O3 S CC(C)Oc1cc....
144 3T9V - CNI C9 H2 N4 O4 C1=C(C(=CC....
145 1GR2 - KAI C10 H15 N O4 CC(=C)[C@H....
146 5OEW - GLU C5 H9 N O4 C(CC(=O)O)....
147 3IL1 - GLU C5 H9 N O4 C(CC(=O)O)....
148 3DP6 - GLU C5 H9 N O4 C(CC(=O)O)....
149 4O3C Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
150 3RTF - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
151 6FAZ - GLU C5 H9 N O4 C(CC(=O)O)....
152 1MM6 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
153 4F3G Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
154 4IY5 - GLU C5 H9 N O4 C(CC(=O)O)....
155 4F39 Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
156 5FHO - 5XN C14 H14 Cl N6 O4 c1cc(cc(c1....
157 6HCH - D45 C18 H22 N4 O4 S2 CN1CNS(=O)....
158 2P2A Ki = 0.75 uM MP9 C14 H14 N6 O4 c1ccc(cc1)....
159 3TZA ic50 = 3.4 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
160 5NIH Ki = 237 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
161 3O2A - O30 C22 H28 F3 N5 O2 S C1CCc2c(c(....
162 4LZ8 - 1YX C19 H27 F N4 O4 S CC(C)S(=O)....
163 1MQJ ic50 = 4.76 uM HWD C7 H9 N3 O4 C1=CN(C(=O....
164 5NG9 Ki = 403 nM 8VN C7 H8 N2 O5 C1[C@H]2[C....
165 5NS9 - GLU C5 H9 N O4 C(CC(=O)O)....
166 4F1Y Kd = 0.96 uM CNI C9 H2 N4 O4 C1=C(C(=CC....
167 5ELV Kd = 0.16 uM 5PX C10 H12 N2 O3 S c1cc2c(cc1....
168 4U1O - KAI C10 H15 N O4 CC(=C)[C@H....
169 1LBC - GLU C5 H9 N O4 C(CC(=O)O)....
170 3TDJ - GLU C5 H9 N O4 C(CC(=O)O)....
171 5FHN - 5XO C15 H16 N6 O4 Cc1cccc(c1....
172 4QF9 Ki = 16.1 uM 35K C12 H13 N3 O4 c1cc2c(cc1....
173 1TXF Ki = 57.2 nM GLU C5 H9 N O4 C(CC(=O)O)....
174 3GBB Ki = 126 nM MS8 C11 H17 N O6 C1C[C@@H]2....
175 5MFQ - 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
176 3FVN Ki = 169 nM 9DX C11 H17 N O7 C1CO[C@@H]....
177 1YCJ - GLU C5 H9 N O4 C(CC(=O)O)....
178 3C35 - KAI C10 H15 N O4 CC(=C)[C@H....
179 5MFW - KAI C10 H15 N O4 CC(=C)[C@H....
180 3C31 - KAI C10 H15 N O4 CC(=C)[C@H....
181 3FV1 Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
182 3C34 - KAI C10 H15 N O4 CC(=C)[C@H....
183 2F36 - GLU C5 H9 N O4 C(CC(=O)O)....
184 3GBA Ki = 0.848 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
185 6SBT Ki = 43 nM L5H C19 H12 F3 N5 O3 c1ccc(cc1)....
186 3FV2 Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
187 2QS4 Kd = 38 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
188 2QS3 Kd = 1.4 nM UBE C20 H19 N3 O6 S CC1=CN(C(=....
189 2OJT - UBA C14 H15 N3 O6 S CC1=CN(C(=....
190 3C33 - KAI C10 H15 N O4 CC(=C)[C@H....
191 2WKY Ki = 2.57 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
192 2PBW Ki = 5.56 nM DOQ C15 H21 N O6 C[C@H](C=C....
193 4YMB Ki = 0.62 uM 4E7 C15 H19 N O4 CCC[C@@H]1....
194 6FZ4 Ki = 1.12 uM EC8 C16 H9 F4 N3 O4 c1ccc(c(c1....
195 3FVG Ki = 128 nM MS8 C11 H17 N O6 C1C[C@@H]2....
196 3C36 - KAI C10 H15 N O4 CC(=C)[C@H....
197 2F34 Kd = 0.13 uM UBA C14 H15 N3 O6 S CC1=CN(C(=....
198 3C32 - KAI C10 H15 N O4 CC(=C)[C@H....
199 2QS2 Kd = 186 nM UBF C13 H12 Br N3 O6 S c1csc(c1CN....
200 4DLD Ki = 1.5 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
201 3FVK Ki = 1.5 nM 8DX C11 H17 N O7 C1[C@@H](C....
202 2ZNU Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
203 3S2V Ki = 157 nM 3HU C15 H13 N3 O6 S2 c1csc(c1CN....
204 2QS1 Kd = 33 nM UB1 C14 H13 Br2 N3 O6 S CC1=CN(C(=....
205 4E0X - KAI C10 H15 N O4 CC(=C)[C@H....
206 5MFV - KAI C10 H15 N O4 CC(=C)[C@H....
207 2ZNT Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
208 2F35 Kd = 3.94 uM UBC C15 H15 N3 O6 c1ccc(c(c1....
209 5NEB Ki = 85 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
210 1VSO Ki = 18980 nM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
211 5CC2 Kd = 80 uM CKA C10 H6 Cl N O3 c1cc2c(cc1....
212 2V3U Kd = 1 mM DSN C3 H7 N O3 C([C@H](C(....
213 6JMV - SYM C6 H10 N O4 C[C@H](C[C....
214 4MH5 Ki = 7.43 uM GGL C5 H9 N O4 C(CC(=O)O)....
215 3U92 - KAI C10 H15 N O4 CC(=C)[C@H....
216 4E0W - KAI C10 H15 N O4 CC(=C)[C@H....
217 5O4F Ki = 22 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
218 4NWC Ki = 1.74 uM 2QE C9 H15 N O6 COC(=O)CC[....
219 4G8N Kd = 63 nM G8M C7 H11 N O4 C1C[C@@H](....
220 6F28 Ki = 2.15 uM CG8 C10 H14 N4 O4 CN1CC2=C(C....
221 5CMB Kd = 28.3 nM GLY C2 H5 N O2 C(C(=O)O)N
222 4YKJ Ki = 37 uM ALA C3 H7 N O2 C[C@@H](C(....
223 4YKI Kd = 2.7 nM GLY C2 H5 N O2 C(C(=O)O)N
224 4YKP - GLY C2 H5 N O2 C(C(=O)O)N
225 5EHM - OEM C5 H9 N O4 CN[C@H](CC....
226 5EHS - 2JJ C5 H12 N O5 P C(C[C@H](C....
227 5DTB - GLU C5 H9 N O4 C(CC(=O)O)....
228 4F2O Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
229 3DP4 Kd = 43 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
230 4F22 Ki = 30.26 uM KAI C10 H15 N O4 CC(=C)[C@H....
231 4F3B Ki = 1.271 uM GLU C5 H9 N O4 C(CC(=O)O)....
232 4F2Q Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
233 3RT8 - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
234 3M3F - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
235 3LSX - PZI C6 H10 N2 O2 C1CC(=O)N(....
236 3LSW - GLU C5 H9 N O4 C(CC(=O)O)....
237 4WXJ - GLU C5 H9 N O4 C(CC(=O)O)....
238 4H8I - 11W C20 H21 N3 O4 c1ccc(cc1)....
239 4BDQ - CYS C3 H7 N O2 S C([C@@H](C....
240 2XXW - GLU C5 H9 N O4 C(CC(=O)O)....
241 1SD3 - SYM C6 H10 N O4 C[C@H](C[C....
242 2XXX - GLU C5 H9 N O4 C(CC(=O)O)....
243 2XXR - GLU C5 H9 N O4 C(CC(=O)O)....
244 3QXM Ki = 33 nM NDZ C11 H17 N O8 C1[C@@H]2[....
245 1S9T Ki = 253 nM QUS C5 H7 N3 O5 C([C@@H](C....
246 4BDR - KAI C10 H15 N O4 CC(=C)[C@H....
247 2XXT - KAI C10 H15 N O4 CC(=C)[C@H....
248 5CMM - SYM C6 H10 N O4 C[C@H](C[C....
249 2XXU - GLU C5 H9 N O4 C(CC(=O)O)....
250 4BDN - GLU C5 H9 N O4 C(CC(=O)O)....
251 1S50 Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
252 2XXV - KAI C10 H15 N O4 CC(=C)[C@H....
253 5CMK ic50 = 30 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
254 4BDL - GLU C5 H9 N O4 C(CC(=O)O)....
255 1S7Y Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
256 1TT1 Ki = 64.6 nM KAI C10 H15 N O4 CC(=C)[C@H....
257 5IKB Kd = 1.9 nM KAI C10 H15 N O4 CC(=C)[C@H....
258 5DT6 - GLU C5 H9 N O4 C(CC(=O)O)....
259 5ICT - GLU C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AT1; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AT1 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FV1; Ligand: DYH; 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: 3fv1.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3FV1; Ligand: DYH; 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: 3fv1.bio3) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3FV1; Ligand: DYH; 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: 3fv1.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3FV1; Ligand: DYH; 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: 3fv1.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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