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Receptor
PDB id Resolution Class Description Source Keywords
4BDR 1.65 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE GLUK2 R775A LBD DIMER IN COMPLEX WI RATTUS NORVEGICUS METAL TRANSPORT KAINATE RECEPTOR
Ref.: CORRELATING EFFICACY AND DESENSITIZATION WITH GLUK2 LIGAND-BINDING DOMAIN MOVEMENTS. OPEN BIOL. V. 3 0051 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:901;
Invalid;
none;
submit data
35.453 Cl [Cl-]
KAI A:900;
B:900;
Valid;
Valid;
none;
none;
submit data
213.23 C10 H15 N O4 CC(=C...
NA B:902;
A:902;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
CYS B:804;
Valid;
none;
submit data
121.158 C3 H7 N O2 S 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 286 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 (233)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 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 2XHD - GLU C5 H9 N O4 C(CC(=O)O)....
19 3B7D - CNI C9 H2 N4 O4 C1=C(C(=CC....
20 4U1Z - KAI C10 H15 N O4 CC(=C)[C@H....
21 1WVJ Ki = 185 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
22 1P1U - AMQ C7 H10 N2 O4 Cc1c(c(no1....
23 4Q30 - NWD C7 H8 N4 O6 C1=C(C(=O)....
24 4U23 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
25 1MQG ic50 = 0.52 uM IWD C7 H8 I N3 O4 C1=C(C(=O)....
26 3BBR - BHY C20 H28 N2 O4 S2 C[C@@H](CN....
27 3LSF - PZI C6 H10 N2 O2 C1CC(=O)N(....
28 3PMX - 808 C18 H20 F3 N O3 S CC(C)S(=O)....
29 2ANJ - KAI C10 H15 N O4 CC(=C)[C@H....
30 2XX8 - 1NE C17 H18 F3 N3 O CN(C)C(=O)....
31 1P1Q Kd = 12.8 uM AMQ C7 H10 N2 O4 Cc1c(c(no1....
32 2AL5 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
33 5YBG ic50 = 0.03 uM 8SO C21 H30 N2 O4 S2 C[C@@H](CN....
34 1M5E ic50 = 20.1 nM AM1 C8 H10 N2 O5 Cc1c(c(no1....
35 3BKI ic50 = 7.6 uM FQX C8 H4 N4 O4 c1c2c(cc3c....
36 2AIX - U1K C10 H16 N2 O3 S CC(C)(C)c1....
37 3B6W - GLU C5 H9 N O4 C(CC(=O)O)....
38 2I3W - GLU C5 H9 N O4 C(CC(=O)O)....
39 3O6H - O25 C18 H22 F3 N5 O2 S CCNCc1cn(n....
40 3KGC - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
41 3BFU Ki = 531 nM R2P C5 H7 N3 O3 S C(c1c(nsn1....
42 3UA8 ic50 = 14 nM 08W C15 H13 F3 N6 O5 S CNC(=O)c1c....
43 4LZ7 - GLU C5 H9 N O4 C(CC(=O)O)....
44 1FTL ic50 = 998 nM DNQ C8 H2 N4 O6 C1=C(C(=CC....
45 3B6Q - GLU C5 H9 N O4 C(CC(=O)O)....
46 3RN8 - RN8 C22 H16 N2 O4 S2 CCc1c(c(c(....
47 1P1W - AMQ C7 H10 N2 O4 Cc1c(c(no1....
48 1MQI ic50 = 23.53 nM FWD C7 H8 F N3 O4 C1=C(C(=O)....
49 3O29 - O29 C23 H30 F3 N5 O2 S CN(C)CCNC(....
50 1FTJ ic50 = 821 nM GLU C5 H9 N O4 C(CC(=O)O)....
51 3PD9 Ki = 494 nM HA5 C7 H8 N2 O4 C1c2c(onc2....
52 1M5B ic50 = 9.7 nM BN1 C8 H10 N6 O4 Cn1nc(nn1)....
53 3EN3 - KAI C10 H15 N O4 CC(=C)[C@H....
54 1SYH Ki = 393 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
55 4X48 - XPF C18 H20 N2 O4 S2 CC(C)S(=O)....
56 3H6W - NS7 C19 H29 N3 O4 S2 Cc1cc2c(cc....
57 1MY4 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
58 4IGT Ki = 40.8 uM 3ZA C9 H16 N2 O6 CN(C(=O)CC....
59 3M3L - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
60 5CBR Kd = 1.8 uM 4ZK C14 H12 Cl2 N2 O3 c1c(cc(c(c....
61 4GXS - 0YS C18 H21 Cl2 N3 O9 c1c(cc(c(c....
62 4U21 - FWF C24 H36 N2 O4 S2 C[C@@H](CN....
63 4YMA - 4E5 C12 H13 N O5 c1c(cc(cc1....
64 1FW0 - KAI C10 H15 N O4 CC(=C)[C@H....
65 1LB8 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
66 3FAS Ki = 171 nM GLU C5 H9 N O4 C(CC(=O)O)....
67 4U22 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
68 4ISU Ki = 0.21 mM IKM C12 H14 N2 O6 C1C=C[C@H]....
69 1MXU ic50 = 4 uM BWD C7 H8 Br N3 O4 C1=C(C(=O)....
70 4U4X Kd = 9.8 uM 3C2 C8 H11 N3 O2 S CCN1CNS(=O....
71 1MM7 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
72 2XX9 - 1NF C19 H19 F4 N3 O c1cc(c(cc1....
73 3M3K - GLU C5 H9 N O4 C(CC(=O)O)....
74 2XXH - 1NG C20 H22 F3 N3 O c1cc(ccc1C....
75 5FHM - 5XP C15 H17 N7 O4 c1cc(cc(c1....
76 4N07 Kd = 0.35 uM 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
77 3IJO - GLU C5 H9 N O4 C(CC(=O)O)....
78 3RNN - RNN C16 H28 N2 O4 S2 CC(C)S(=O)....
79 2AL4 - QUS C5 H7 N3 O5 C([C@@H](C....
80 4LZ5 - GLU C5 H9 N O4 C(CC(=O)O)....
81 4U4S Kd = 1200 uM 3C1 C8 H11 N3 O2 S CCN1CNS(=O....
82 4G8M Kd = 12.8 nM G8M C7 H11 N O4 C1C[C@@H](....
83 3H6T - CYZ C14 H16 Cl N3 O4 S2 c1c2c(cc(c....
84 3O6G - O27 C23 H28 F3 N5 O2 S C1CCc2c(c(....
85 1NNP - CE2 C10 H15 N2 O4 CC(C)(C)c1....
86 5YBF Kd = 543 nM 8SR C16 H17 F3 N4 O2 S Cc1cc(nn1C....
87 1P1N Kd = 0.16 uM KAI C10 H15 N O4 CC(=C)[C@H....
88 1M5D ic50 = 9.2 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
89 3IK6 - GLU C5 H9 N O4 C(CC(=O)O)....
90 2XXI - JAC C18 H18 F3 N3 O2 c1cc(ccc1C....
91 4O3A Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
92 3B6T - QUS C5 H7 N3 O5 C([C@@H](C....
93 4FAT - GLU C5 H9 N O4 C(CC(=O)O)....
94 3H6U - NS3 C18 H28 N4 O4 S2 Cc1cc2c(cc....
95 1NNK ic50 = 3.5 uM CE2 C10 H15 N2 O4 CC(C)(C)c1....
96 3FAT Ki = 22.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
97 3T9X - GLU C5 H9 N O4 C(CC(=O)O)....
98 1MY2 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
99 3ILT - TRU C8 H8 Cl3 N3 O4 S2 c1c2c(cc(c....
100 3O6I - O26 C20 H29 N5 O2 S CC(C)(C)c1....
101 3DLN - GLU C5 H9 N O4 C(CC(=O)O)....
102 3RTW - NWD C7 H8 N4 O6 C1=C(C(=O)....
103 1MQD ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
104 3T93 - GLU C5 H9 N O4 C(CC(=O)O)....
105 4F29 Ki = 0.168 uM QUS C5 H7 N3 O5 C([C@@H](C....
106 1MS7 ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
107 3R7X ic50 = 0.082 uM QSN C12 H10 N6 O6 S CS(=O)(=O)....
108 3BFT Ki = 323 nM S2P C5 H7 N3 O3 S C(c1c(nsn1....
109 5JEI - FWD C7 H8 F N3 O4 C1=C(C(=O)....
110 3O28 - O28 C19 H21 F3 N4 O2 S C1CCc2c(c(....
111 4IY6 - MQS C15 H17 N3 O C[C@H]1CCC....
112 3LSL - PZI C6 H10 N2 O2 C1CC(=O)N(....
113 2XX7 - 1ND C19 H20 F3 N3 O c1cc(ccc1C....
114 1FTM Kd = 24.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
115 2GFE - GLU C5 H9 N O4 C(CC(=O)O)....
116 4F31 Ki = 2.08 uM KAI C10 H15 N O4 CC(=C)[C@H....
117 3T9U - CNI C9 H2 N4 O4 C1=C(C(=CC....
118 3T96 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
119 3KFM - KAI C10 H15 N O4 CC(=C)[C@H....
120 2I3V - GLU C5 H9 N O4 C(CC(=O)O)....
121 3T9H - KAI C10 H15 N O4 CC(=C)[C@H....
122 3PMW - G69 C18 H22 F3 N3 O3 S CC(C)S(=O)....
123 3H6V - NS6 C18 H27 N3 O4 S2 CN1CCN(CC1....
124 1LBB - KAI C10 H15 N O4 CC(=C)[C@H....
125 5BUU - 4V6 C10 H13 Cl N2 O2 S C[C@@H]1N(....
126 3H03 ic50 = 135 uM UBP C10 H13 N3 O6 C1=CN(C(=O....
127 1LB9 - DNQ C8 H2 N4 O6 C1=C(C(=CC....
128 1N0T ic50 = 12.2 uM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
129 3T9V - CNI C9 H2 N4 O4 C1=C(C(=CC....
130 1GR2 - KAI C10 H15 N O4 CC(=C)[C@H....
131 5OEW - GLU C5 H9 N O4 C(CC(=O)O)....
132 3IL1 - GLU C5 H9 N O4 C(CC(=O)O)....
133 3DP6 - GLU C5 H9 N O4 C(CC(=O)O)....
134 4O3C Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
135 3RTF - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
136 6FAZ - GLU C5 H9 N O4 C(CC(=O)O)....
137 1MM6 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
138 4F3G Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
139 4IY5 - GLU C5 H9 N O4 C(CC(=O)O)....
140 4F39 Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
141 5FHO - 5XN C14 H14 Cl N6 O4 c1cc(cc(c1....
142 2P2A Ki = 0.75 uM MP9 C14 H14 N6 O4 c1ccc(cc1)....
143 3TZA ic50 = 3.4 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
144 5NIH Ki = 237 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
145 3O2A - O30 C22 H28 F3 N5 O2 S C1CCc2c(c(....
146 4LZ8 - 1YX C19 H27 F N4 O4 S CC(C)S(=O)....
147 1MQJ ic50 = 4.76 uM HWD C7 H9 N3 O4 C1=CN(C(=O....
148 5NG9 Ki = 403 nM 8VN C7 H8 N2 O5 C1[C@H]2[C....
149 5NS9 - GLU C5 H9 N O4 C(CC(=O)O)....
150 4F1Y Kd = 0.96 uM CNI C9 H2 N4 O4 C1=C(C(=CC....
151 5ELV Kd = 0.16 uM 5PX C10 H12 N2 O3 S c1cc2c(cc1....
152 4U1O - KAI C10 H15 N O4 CC(=C)[C@H....
153 1LBC - GLU C5 H9 N O4 C(CC(=O)O)....
154 3TDJ - GLU C5 H9 N O4 C(CC(=O)O)....
155 5FHN - 5XO C15 H16 N6 O4 Cc1cccc(c1....
156 4QF9 Ki = 16.1 uM 35K C12 H13 N3 O4 c1cc2c(cc1....
157 1TXF Ki = 57.2 nM GLU C5 H9 N O4 C(CC(=O)O)....
158 3GBB Ki = 126 nM MS8 C11 H17 N O6 C1C[C@@H]2....
159 5MFQ - 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
160 3FVN Ki = 169 nM 9DX C11 H17 N O7 C1CO[C@@H]....
161 1YCJ - GLU C5 H9 N O4 C(CC(=O)O)....
162 3C35 - KAI C10 H15 N O4 CC(=C)[C@H....
163 5MFW - KAI C10 H15 N O4 CC(=C)[C@H....
164 3C31 - KAI C10 H15 N O4 CC(=C)[C@H....
165 3FV1 Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
166 3C34 - KAI C10 H15 N O4 CC(=C)[C@H....
167 2F36 - GLU C5 H9 N O4 C(CC(=O)O)....
168 3GBA Ki = 0.848 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
169 3FV2 Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
170 2QS4 Kd = 38 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
171 2QS3 Kd = 1.4 nM UBE C20 H19 N3 O6 S CC1=CN(C(=....
172 2OJT - UBA C14 H15 N3 O6 S CC1=CN(C(=....
173 3C33 - KAI C10 H15 N O4 CC(=C)[C@H....
174 2WKY Ki = 2.57 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
175 2PBW Ki = 5.56 nM DOQ C15 H21 N O6 C[C@H](C=C....
176 4YMB Ki = 0.62 uM 4E7 C15 H19 N O4 CCC[C@@H]1....
177 3FVG Ki = 128 nM MS8 C11 H17 N O6 C1C[C@@H]2....
178 3C36 - KAI C10 H15 N O4 CC(=C)[C@H....
179 2F34 Kd = 0.13 uM UBA C14 H15 N3 O6 S CC1=CN(C(=....
180 3C32 - KAI C10 H15 N O4 CC(=C)[C@H....
181 2QS2 Kd = 186 nM UBF C13 H12 Br N3 O6 S c1csc(c1CN....
182 4DLD Ki = 1.5 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
183 3FVK Ki = 1.5 nM 8DX C11 H17 N O7 C1[C@@H](C....
184 2ZNU Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
185 3S2V Ki = 157 nM 3HU C15 H13 N3 O6 S2 c1csc(c1CN....
186 2QS1 Kd = 33 nM UB1 C14 H13 Br2 N3 O6 S CC1=CN(C(=....
187 4E0X - KAI C10 H15 N O4 CC(=C)[C@H....
188 5MFV - KAI C10 H15 N O4 CC(=C)[C@H....
189 2ZNT Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
190 2F35 Kd = 3.94 uM UBC C15 H15 N3 O6 c1ccc(c(c1....
191 5NEB Ki = 85 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
192 1VSO Ki = 18980 nM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
193 4MH5 Ki = 7.43 uM GGL C5 H9 N O4 C(CC(=O)O)....
194 3U92 - KAI C10 H15 N O4 CC(=C)[C@H....
195 4E0W - KAI C10 H15 N O4 CC(=C)[C@H....
196 5O4F Ki = 22 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
197 4NWC Ki = 1.74 uM 2QE C9 H15 N O6 COC(=O)CC[....
198 4G8N Kd = 63 nM G8M C7 H11 N O4 C1C[C@@H](....
199 6F28 Ki = 2.15 uM CG8 C10 H14 N4 O4 CN1CC2=C(C....
200 5EHM - OEM C5 H9 N O4 CN[C@H](CC....
201 5EHS - 2JJ C5 H12 N O5 P C(C[C@H](C....
202 5DTB - GLU C5 H9 N O4 C(CC(=O)O)....
203 4F2O Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
204 3DP4 Kd = 43 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
205 4F22 Ki = 30.26 uM KAI C10 H15 N O4 CC(=C)[C@H....
206 4F3B Ki = 1.271 uM GLU C5 H9 N O4 C(CC(=O)O)....
207 4F2Q Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
208 3RT8 - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
209 3M3F - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
210 3LSX - PZI C6 H10 N2 O2 C1CC(=O)N(....
211 3LSW - GLU C5 H9 N O4 C(CC(=O)O)....
212 4H8I - 11W C20 H21 N3 O4 c1ccc(cc1)....
213 4BDQ - CYS C3 H7 N O2 S C([C@@H](C....
214 2XXW - GLU C5 H9 N O4 C(CC(=O)O)....
215 1SD3 - SYM C6 H10 N O4 C[C@H](C[C....
216 2XXX - GLU C5 H9 N O4 C(CC(=O)O)....
217 2XXR - GLU C5 H9 N O4 C(CC(=O)O)....
218 3QXM Ki = 33 nM NDZ C11 H17 N O8 C1[C@@H]2[....
219 1S9T Ki = 253 nM QUS C5 H7 N3 O5 C([C@@H](C....
220 4BDR - KAI C10 H15 N O4 CC(=C)[C@H....
221 2XXT - KAI C10 H15 N O4 CC(=C)[C@H....
222 5CMM - SYM C6 H10 N O4 C[C@H](C[C....
223 2XXU - GLU C5 H9 N O4 C(CC(=O)O)....
224 4BDN - GLU C5 H9 N O4 C(CC(=O)O)....
225 1S50 Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
226 2XXV - KAI C10 H15 N O4 CC(=C)[C@H....
227 5CMK ic50 = 30 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
228 4BDL - GLU C5 H9 N O4 C(CC(=O)O)....
229 1S7Y Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
230 1TT1 Ki = 64.6 nM KAI C10 H15 N O4 CC(=C)[C@H....
231 5IKB Kd = 1.9 nM KAI C10 H15 N O4 CC(=C)[C@H....
232 5DT6 - GLU C5 H9 N O4 C(CC(=O)O)....
233 5ICT - GLU C5 H9 N O4 C(CC(=O)O)....
50% Homology Family (240)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 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 2XHD - GLU C5 H9 N O4 C(CC(=O)O)....
19 3B7D - CNI C9 H2 N4 O4 C1=C(C(=CC....
20 4U1Z - KAI C10 H15 N O4 CC(=C)[C@H....
21 1WVJ Ki = 185 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
22 1P1U - AMQ C7 H10 N2 O4 Cc1c(c(no1....
23 4Q30 - NWD C7 H8 N4 O6 C1=C(C(=O)....
24 4U23 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
25 1MQG ic50 = 0.52 uM IWD C7 H8 I N3 O4 C1=C(C(=O)....
26 3BBR - BHY C20 H28 N2 O4 S2 C[C@@H](CN....
27 3LSF - PZI C6 H10 N2 O2 C1CC(=O)N(....
28 3PMX - 808 C18 H20 F3 N O3 S CC(C)S(=O)....
29 2ANJ - KAI C10 H15 N O4 CC(=C)[C@H....
30 2XX8 - 1NE C17 H18 F3 N3 O CN(C)C(=O)....
31 1P1Q Kd = 12.8 uM AMQ C7 H10 N2 O4 Cc1c(c(no1....
32 2AL5 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
33 5YBG ic50 = 0.03 uM 8SO C21 H30 N2 O4 S2 C[C@@H](CN....
34 1M5E ic50 = 20.1 nM AM1 C8 H10 N2 O5 Cc1c(c(no1....
35 3BKI ic50 = 7.6 uM FQX C8 H4 N4 O4 c1c2c(cc3c....
36 2AIX - U1K C10 H16 N2 O3 S CC(C)(C)c1....
37 3B6W - GLU C5 H9 N O4 C(CC(=O)O)....
38 2I3W - GLU C5 H9 N O4 C(CC(=O)O)....
39 3O6H - O25 C18 H22 F3 N5 O2 S CCNCc1cn(n....
40 3KGC - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
41 3BFU Ki = 531 nM R2P C5 H7 N3 O3 S C(c1c(nsn1....
42 3UA8 ic50 = 14 nM 08W C15 H13 F3 N6 O5 S CNC(=O)c1c....
43 4LZ7 - GLU C5 H9 N O4 C(CC(=O)O)....
44 1FTL ic50 = 998 nM DNQ C8 H2 N4 O6 C1=C(C(=CC....
45 3B6Q - GLU C5 H9 N O4 C(CC(=O)O)....
46 3RN8 - RN8 C22 H16 N2 O4 S2 CCc1c(c(c(....
47 1P1W - AMQ C7 H10 N2 O4 Cc1c(c(no1....
48 1MQI ic50 = 23.53 nM FWD C7 H8 F N3 O4 C1=C(C(=O)....
49 3O29 - O29 C23 H30 F3 N5 O2 S CN(C)CCNC(....
50 1FTJ ic50 = 821 nM GLU C5 H9 N O4 C(CC(=O)O)....
51 3PD9 Ki = 494 nM HA5 C7 H8 N2 O4 C1c2c(onc2....
52 1M5B ic50 = 9.7 nM BN1 C8 H10 N6 O4 Cn1nc(nn1)....
53 3EN3 - KAI C10 H15 N O4 CC(=C)[C@H....
54 1SYH Ki = 393 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
55 4X48 - XPF C18 H20 N2 O4 S2 CC(C)S(=O)....
56 3H6W - NS7 C19 H29 N3 O4 S2 Cc1cc2c(cc....
57 1MY4 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
58 4IGT Ki = 40.8 uM 3ZA C9 H16 N2 O6 CN(C(=O)CC....
59 3M3L - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
60 5CBR Kd = 1.8 uM 4ZK C14 H12 Cl2 N2 O3 c1c(cc(c(c....
61 4GXS - 0YS C18 H21 Cl2 N3 O9 c1c(cc(c(c....
62 4U21 - FWF C24 H36 N2 O4 S2 C[C@@H](CN....
63 4YMA - 4E5 C12 H13 N O5 c1c(cc(cc1....
64 1FW0 - KAI C10 H15 N O4 CC(=C)[C@H....
65 1LB8 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
66 3FAS Ki = 171 nM GLU C5 H9 N O4 C(CC(=O)O)....
67 4U22 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
68 4ISU Ki = 0.21 mM IKM C12 H14 N2 O6 C1C=C[C@H]....
69 1MXU ic50 = 4 uM BWD C7 H8 Br N3 O4 C1=C(C(=O)....
70 4U4X Kd = 9.8 uM 3C2 C8 H11 N3 O2 S CCN1CNS(=O....
71 1MM7 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
72 2XX9 - 1NF C19 H19 F4 N3 O c1cc(c(cc1....
73 3M3K - GLU C5 H9 N O4 C(CC(=O)O)....
74 2XXH - 1NG C20 H22 F3 N3 O c1cc(ccc1C....
75 5FHM - 5XP C15 H17 N7 O4 c1cc(cc(c1....
76 4N07 Kd = 0.35 uM 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
77 3IJO - GLU C5 H9 N O4 C(CC(=O)O)....
78 3RNN - RNN C16 H28 N2 O4 S2 CC(C)S(=O)....
79 2AL4 - QUS C5 H7 N3 O5 C([C@@H](C....
80 4LZ5 - GLU C5 H9 N O4 C(CC(=O)O)....
81 4U4S Kd = 1200 uM 3C1 C8 H11 N3 O2 S CCN1CNS(=O....
82 4G8M Kd = 12.8 nM G8M C7 H11 N O4 C1C[C@@H](....
83 3H6T - CYZ C14 H16 Cl N3 O4 S2 c1c2c(cc(c....
84 3O6G - O27 C23 H28 F3 N5 O2 S C1CCc2c(c(....
85 1NNP - CE2 C10 H15 N2 O4 CC(C)(C)c1....
86 5YBF Kd = 543 nM 8SR C16 H17 F3 N4 O2 S Cc1cc(nn1C....
87 1P1N Kd = 0.16 uM KAI C10 H15 N O4 CC(=C)[C@H....
88 1M5D ic50 = 9.2 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
89 3IK6 - GLU C5 H9 N O4 C(CC(=O)O)....
90 2XXI - JAC C18 H18 F3 N3 O2 c1cc(ccc1C....
91 4O3A Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
92 3B6T - QUS C5 H7 N3 O5 C([C@@H](C....
93 4FAT - GLU C5 H9 N O4 C(CC(=O)O)....
94 3H6U - NS3 C18 H28 N4 O4 S2 Cc1cc2c(cc....
95 1NNK ic50 = 3.5 uM CE2 C10 H15 N2 O4 CC(C)(C)c1....
96 3FAT Ki = 22.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
97 3T9X - GLU C5 H9 N O4 C(CC(=O)O)....
98 1MY2 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
99 3ILT - TRU C8 H8 Cl3 N3 O4 S2 c1c2c(cc(c....
100 3O6I - O26 C20 H29 N5 O2 S CC(C)(C)c1....
101 3DLN - GLU C5 H9 N O4 C(CC(=O)O)....
102 3RTW - NWD C7 H8 N4 O6 C1=C(C(=O)....
103 1MQD ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
104 3T93 - GLU C5 H9 N O4 C(CC(=O)O)....
105 4F29 Ki = 0.168 uM QUS C5 H7 N3 O5 C([C@@H](C....
106 1MS7 ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
107 3R7X ic50 = 0.082 uM QSN C12 H10 N6 O6 S CS(=O)(=O)....
108 3BFT Ki = 323 nM S2P C5 H7 N3 O3 S C(c1c(nsn1....
109 5JEI - FWD C7 H8 F N3 O4 C1=C(C(=O)....
110 3O28 - O28 C19 H21 F3 N4 O2 S C1CCc2c(c(....
111 4IY6 - MQS C15 H17 N3 O C[C@H]1CCC....
112 3LSL - PZI C6 H10 N2 O2 C1CC(=O)N(....
113 2XX7 - 1ND C19 H20 F3 N3 O c1cc(ccc1C....
114 1FTM Kd = 24.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
115 2GFE - GLU C5 H9 N O4 C(CC(=O)O)....
116 4F31 Ki = 2.08 uM KAI C10 H15 N O4 CC(=C)[C@H....
117 3T9U - CNI C9 H2 N4 O4 C1=C(C(=CC....
118 3T96 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
119 3KFM - KAI C10 H15 N O4 CC(=C)[C@H....
120 2I3V - GLU C5 H9 N O4 C(CC(=O)O)....
121 3T9H - KAI C10 H15 N O4 CC(=C)[C@H....
122 3PMW - G69 C18 H22 F3 N3 O3 S CC(C)S(=O)....
123 3H6V - NS6 C18 H27 N3 O4 S2 CN1CCN(CC1....
124 1LBB - KAI C10 H15 N O4 CC(=C)[C@H....
125 5BUU - 4V6 C10 H13 Cl N2 O2 S C[C@@H]1N(....
126 3H03 ic50 = 135 uM UBP C10 H13 N3 O6 C1=CN(C(=O....
127 1LB9 - DNQ C8 H2 N4 O6 C1=C(C(=CC....
128 1N0T ic50 = 12.2 uM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
129 3T9V - CNI C9 H2 N4 O4 C1=C(C(=CC....
130 1GR2 - KAI C10 H15 N O4 CC(=C)[C@H....
131 5OEW - GLU C5 H9 N O4 C(CC(=O)O)....
132 3IL1 - GLU C5 H9 N O4 C(CC(=O)O)....
133 3DP6 - GLU C5 H9 N O4 C(CC(=O)O)....
134 4O3C Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
135 3RTF - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
136 6FAZ - GLU C5 H9 N O4 C(CC(=O)O)....
137 1MM6 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
138 4F3G Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
139 4IY5 - GLU C5 H9 N O4 C(CC(=O)O)....
140 4F39 Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
141 5FHO - 5XN C14 H14 Cl N6 O4 c1cc(cc(c1....
142 2P2A Ki = 0.75 uM MP9 C14 H14 N6 O4 c1ccc(cc1)....
143 3TZA ic50 = 3.4 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
144 5NIH Ki = 237 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
145 3O2A - O30 C22 H28 F3 N5 O2 S C1CCc2c(c(....
146 4LZ8 - 1YX C19 H27 F N4 O4 S CC(C)S(=O)....
147 1MQJ ic50 = 4.76 uM HWD C7 H9 N3 O4 C1=CN(C(=O....
148 5NG9 Ki = 403 nM 8VN C7 H8 N2 O5 C1[C@H]2[C....
149 5NS9 - GLU C5 H9 N O4 C(CC(=O)O)....
150 4F1Y Kd = 0.96 uM CNI C9 H2 N4 O4 C1=C(C(=CC....
151 5ELV Kd = 0.16 uM 5PX C10 H12 N2 O3 S c1cc2c(cc1....
152 4U1O - KAI C10 H15 N O4 CC(=C)[C@H....
153 1LBC - GLU C5 H9 N O4 C(CC(=O)O)....
154 3TDJ - GLU C5 H9 N O4 C(CC(=O)O)....
155 5FHN - 5XO C15 H16 N6 O4 Cc1cccc(c1....
156 4QF9 Ki = 16.1 uM 35K C12 H13 N3 O4 c1cc2c(cc1....
157 1TXF Ki = 57.2 nM GLU C5 H9 N O4 C(CC(=O)O)....
158 3GBB Ki = 126 nM MS8 C11 H17 N O6 C1C[C@@H]2....
159 5MFQ - 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
160 3FVN Ki = 169 nM 9DX C11 H17 N O7 C1CO[C@@H]....
161 1YCJ - GLU C5 H9 N O4 C(CC(=O)O)....
162 3C35 - KAI C10 H15 N O4 CC(=C)[C@H....
163 5MFW - KAI C10 H15 N O4 CC(=C)[C@H....
164 3C31 - KAI C10 H15 N O4 CC(=C)[C@H....
165 3FV1 Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
166 3C34 - KAI C10 H15 N O4 CC(=C)[C@H....
167 2F36 - GLU C5 H9 N O4 C(CC(=O)O)....
168 3GBA Ki = 0.848 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
169 3FV2 Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
170 2QS4 Kd = 38 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
171 2QS3 Kd = 1.4 nM UBE C20 H19 N3 O6 S CC1=CN(C(=....
172 2OJT - UBA C14 H15 N3 O6 S CC1=CN(C(=....
173 3C33 - KAI C10 H15 N O4 CC(=C)[C@H....
174 2WKY Ki = 2.57 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
175 2PBW Ki = 5.56 nM DOQ C15 H21 N O6 C[C@H](C=C....
176 4YMB Ki = 0.62 uM 4E7 C15 H19 N O4 CCC[C@@H]1....
177 3FVG Ki = 128 nM MS8 C11 H17 N O6 C1C[C@@H]2....
178 3C36 - KAI C10 H15 N O4 CC(=C)[C@H....
179 2F34 Kd = 0.13 uM UBA C14 H15 N3 O6 S CC1=CN(C(=....
180 3C32 - KAI C10 H15 N O4 CC(=C)[C@H....
181 2QS2 Kd = 186 nM UBF C13 H12 Br N3 O6 S c1csc(c1CN....
182 4DLD Ki = 1.5 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
183 3FVK Ki = 1.5 nM 8DX C11 H17 N O7 C1[C@@H](C....
184 2ZNU Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
185 3S2V Ki = 157 nM 3HU C15 H13 N3 O6 S2 c1csc(c1CN....
186 2QS1 Kd = 33 nM UB1 C14 H13 Br2 N3 O6 S CC1=CN(C(=....
187 4E0X - KAI C10 H15 N O4 CC(=C)[C@H....
188 5MFV - KAI C10 H15 N O4 CC(=C)[C@H....
189 2ZNT Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
190 2F35 Kd = 3.94 uM UBC C15 H15 N3 O6 c1ccc(c(c1....
191 5NEB Ki = 85 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
192 1VSO Ki = 18980 nM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
193 5CC2 Kd = 80 uM CKA C10 H6 Cl N O3 c1cc2c(cc1....
194 2V3U Kd = 1 mM DSN C3 H7 N O3 C([C@H](C(....
195 4MH5 Ki = 7.43 uM GGL C5 H9 N O4 C(CC(=O)O)....
196 3U92 - KAI C10 H15 N O4 CC(=C)[C@H....
197 4E0W - KAI C10 H15 N O4 CC(=C)[C@H....
198 5O4F Ki = 22 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
199 4NWC Ki = 1.74 uM 2QE C9 H15 N O6 COC(=O)CC[....
200 4G8N Kd = 63 nM G8M C7 H11 N O4 C1C[C@@H](....
201 6F28 Ki = 2.15 uM CG8 C10 H14 N4 O4 CN1CC2=C(C....
202 5CMB Kd = 28.3 nM GLY C2 H5 N O2 C(C(=O)O)N
203 4YKJ Ki = 37 uM ALA C3 H7 N O2 C[C@@H](C(....
204 4YKI Kd = 2.7 nM GLY C2 H5 N O2 C(C(=O)O)N
205 4YKP - GLY C2 H5 N O2 C(C(=O)O)N
206 5EHM - OEM C5 H9 N O4 CN[C@H](CC....
207 5EHS - 2JJ C5 H12 N O5 P C(C[C@H](C....
208 5DTB - GLU C5 H9 N O4 C(CC(=O)O)....
209 4F2O Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
210 3DP4 Kd = 43 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
211 4F22 Ki = 30.26 uM KAI C10 H15 N O4 CC(=C)[C@H....
212 4F3B Ki = 1.271 uM GLU C5 H9 N O4 C(CC(=O)O)....
213 4F2Q Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
214 3RT8 - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
215 3M3F - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
216 3LSX - PZI C6 H10 N2 O2 C1CC(=O)N(....
217 3LSW - GLU C5 H9 N O4 C(CC(=O)O)....
218 4WXJ - GLU C5 H9 N O4 C(CC(=O)O)....
219 4H8I - 11W C20 H21 N3 O4 c1ccc(cc1)....
220 4BDQ - CYS C3 H7 N O2 S C([C@@H](C....
221 2XXW - GLU C5 H9 N O4 C(CC(=O)O)....
222 1SD3 - SYM C6 H10 N O4 C[C@H](C[C....
223 2XXX - GLU C5 H9 N O4 C(CC(=O)O)....
224 2XXR - GLU C5 H9 N O4 C(CC(=O)O)....
225 3QXM Ki = 33 nM NDZ C11 H17 N O8 C1[C@@H]2[....
226 1S9T Ki = 253 nM QUS C5 H7 N3 O5 C([C@@H](C....
227 4BDR - KAI C10 H15 N O4 CC(=C)[C@H....
228 2XXT - KAI C10 H15 N O4 CC(=C)[C@H....
229 5CMM - SYM C6 H10 N O4 C[C@H](C[C....
230 2XXU - GLU C5 H9 N O4 C(CC(=O)O)....
231 4BDN - GLU C5 H9 N O4 C(CC(=O)O)....
232 1S50 Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
233 2XXV - KAI C10 H15 N O4 CC(=C)[C@H....
234 5CMK ic50 = 30 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
235 4BDL - GLU C5 H9 N O4 C(CC(=O)O)....
236 1S7Y Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
237 1TT1 Ki = 64.6 nM KAI C10 H15 N O4 CC(=C)[C@H....
238 5IKB Kd = 1.9 nM KAI C10 H15 N O4 CC(=C)[C@H....
239 5DT6 - GLU C5 H9 N O4 C(CC(=O)O)....
240 5ICT - GLU C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KAI; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 KAI 1 1
2 DOQ 0.482759 0.928571
Ligand no: 2; Ligand: CYS; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 CYS 1 1
2 DCY 1 1
3 DSN 0.65 0.84
4 SER 0.65 0.84
5 HCS 0.608696 0.916667
6 2RA 0.571429 0.807692
7 ABA 0.571429 0.75
8 DBB 0.571429 0.75
9 C2N 0.545455 0.791667
10 ASP 0.521739 0.703704
11 DAS 0.521739 0.703704
12 ASN 0.521739 0.612903
13 CSS 0.52 0.807692
14 DAB 0.5 0.777778
15 HSE 0.5 0.75
16 LEU 0.48 0.692308
17 AS2 0.48 0.692308
18 API 0.48 0.62069
19 NVA 0.48 0.666667
20 CSO 0.48 0.677419
21 HL5 0.448276 0.740741
22 GLU 0.444444 0.642857
23 DGL 0.444444 0.642857
24 GGL 0.444444 0.642857
25 ORN 0.428571 0.740741
26 ALA 0.428571 0.608696
27 DAL 0.428571 0.608696
28 NLE 0.413793 0.62069
29 3GC 0.405405 0.647059
30 UN1 0.4 0.62069
31 MED 0.4 0.666667
32 DLY 0.4 0.714286
33 MET 0.4 0.666667
34 11C 0.4 0.62069
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5CMK; Ligand: GLU; Similar sites found with APoc: 106
This union binding pocket(no: 1) in the query (biounit: 5cmk.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 6HKE MLT None
2 6HKE LMR None
3 1KYV RBF None
4 2B99 RDL None
5 2VWT PYR 1.1583
6 4XG0 CIT 1.5444
7 1CT9 GLN 1.9305
8 2F9W PAU 1.9305
9 4XDY HIO 2.3166
10 2F5X ASP 2.3166
11 4TQK NAG 2.3166
12 2JFN GLU 2.3166
13 3NOJ PYR 2.52101
14 2POC BG6 2.7027
15 4TVD BGC 2.7027
16 3TK1 GDP 2.7027
17 5MB4 NDG 2.7027
18 5MB4 NAG 2.7027
19 4YG0 GAL NAG GAL BGC 3.04878
20 4PPF FLC 3.0888
21 3MCT 3MC 3.0888
22 3ITJ CIT 3.0888
23 2XZ9 PYR 3.0888
24 6APL C5P 3.0888
25 5A96 GTP 3.21285
26 5HWK BEZ 3.33333
27 1QMG DMV 3.4749
28 4JD0 1KH 3.58566
29 2B6N ALA PRO THR 3.861
30 5NM7 GLY 3.861
31 5YV5 ADP 3.861
32 1RVV INI 3.8961
33 3W5J GDP 3.92157
34 2PZE ATP 3.93013
35 1WK9 TSB 4.10959
36 1VAY AZA 4.2471
37 1RDL MMA 4.42478
38 1Q19 SSC 4.6332
39 4C0R GDS 4.83871
40 5ZZO FLC 4.97512
41 1H16 PYR 5.01931
42 4AVB CMP 5.40541
43 3A4M ADP 5.40541
44 1NXJ TLA 5.46448
45 5E5U MLI 5.52764
46 5OSW DIU 6.17761
47 1B09 PC 6.31068
48 3W6G FLC 6.48148
49 1QHH ATP 6.50888
50 3JUC PCA 6.53595
51 4AG5 ADP 6.56371
52 4AMV F6R 6.56371
53 6C92 EGV 6.56371
54 3HUN ZZ7 6.62252
55 2W58 ADP 6.93069
56 2AWN ADP 6.94981
57 3W6X HZP 6.9869
58 1KJ8 GAR 7.33591
59 5WSY 7UC 7.51445
60 1KUJ MMA 7.5188
61 4CP8 MLI 7.72201
62 4KQ6 DLZ 7.82123
63 5ZI9 FLC 8.07692
64 6ARJ BW4 8.10811
65 6ARJ SAH 8.10811
66 5O74 GDP 8.12183
67 1XX6 ADP 8.37696
68 5C8W PCG 8.39161
69 1MOQ GLP 8.88031
70 1RRC ADP 9.26641
71 4UP4 NDG 10.0386
72 4UP4 GAL NAG 10.0386
73 3WH2 FLC 10.2041
74 4QM7 GTP 10.5263
75 4K7O EKZ 10.7143
76 6H1U ASP 10.8108
77 3BY9 SIN 10.8108
78 5Y3N 8MF 10.8108
79 3G4Q MCH 10.9589
80 4UP5 94W 11.1111
81 2DVZ GLU 11.1969
82 1XT8 CYS 11.583
83 4U00 ADP 13.1148
84 5AA4 6X4 13.1274
85 4JX1 CAM 13.5135
86 3B8I OXL 13.5135
87 2P3V SRT 14.0625
88 2Y7I ARG 15.2838
89 3JQ8 DX3 17.3745
90 4CM9 YGL 17.3745
91 4DZ1 DAL 17.3745
92 2Q89 6CS 17.5097
93 1GXU 2HP 17.5824
94 4KQP GLN 18.9655
95 4YMX ARG 20.8494
96 5L9O GOP 21.2355
97 2YJP CYS 23.5521
98 4POW OP1 23.9382
99 2VHA GLU 25.4826
100 3VV5 SLZ 26.6409
101 6GPC ARG 33.3333
102 3N26 ARG 34.9594
103 1HSL HIS 38.6555
104 5ORG 6DB 40.1544
105 4ZV1 ARG 45.0644
106 1II5 GLU 46.3519
Pocket No.: 2; Query (leader) PDB : 5CMK; Ligand: LY5; Similar sites found with APoc: 57
This union binding pocket(no: 2) in the query (biounit: 5cmk.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3I54 CMP 1.60643
2 2ITM XUL 1.9305
3 1RSG FAD 1.9305
4 5ZBC FAD 2.3166
5 6GAS FAD 2.3166
6 2ZJ3 G6P 2.7027
7 4KVL PLM 2.7027
8 1P31 EPU 2.7027
9 2POC BG6 2.7027
10 3WMX THR 3.0888
11 3ITJ CIT 3.0888
12 5A96 GTP 3.21285
13 4M52 FAD 3.4749
14 5NM7 GLY 3.861
15 4XWM CBK 3.861
16 4JDR FAD 4.2471
17 2OHH FMN 4.2471
18 1YKJ FAD 4.2471
19 5WS9 ATP 4.2471
20 5UAO FAD 4.2471
21 2VVM FAD 4.2471
22 1Q19 SSC 4.6332
23 1RM0 D6P 4.6332
24 2WK9 PLP 5.01931
25 5K0A FAD 5.01931
26 2WK9 PLG 5.01931
27 1H82 FAD 5.40541
28 5E5U MLI 5.52764
29 4AMV F6R 6.56371
30 4LY9 1YY 6.94981
31 4LY9 S6P 6.94981
32 4LZJ 22H 7.33591
33 1KJ8 GAR 7.33591
34 4H6Q TFB 7.72201
35 5ZI9 FLC 8.07692
36 5YVR NDP 8.10811
37 1CDO NAD 8.10811
38 6AIN FAD 8.49421
39 1MOQ GLP 8.88031
40 5BRT FAD 9.26641
41 5J5Z FAD 9.65251
42 2F5Z FAD 9.65251
43 2YG3 FAD 10.0386
44 1XT8 CYS 11.583
45 5AA4 6X4 13.1274
46 3B8I OXL 13.5135
47 4DZ1 DAL 17.3745
48 2Q89 6CS 17.5097
49 4KQP GLN 18.9655
50 5L9O GOP 21.2355
51 2YJP CYS 23.5521
52 4POW OP1 23.9382
53 6GPC ARG 33.3333
54 1HSL HIS 38.6555
55 5ORG 6DB 40.1544
56 4ZV1 ARG 45.0644
57 1II5 GLU 46.3519
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