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Receptor
PDB id Resolution Class Description Source Keywords
4YKI 1.21 Å NON-ENZYME: BINDING MNEMIOPSIS LEIDYI ML032222A IGLUR LBD GLYCINE COMPLEX MNEMIOPSIS LEIDYI MEMBRANE PROTEIN GLUTAMATE RECEPTOR ION CHANNEL
Ref.: GLYCINE ACTIVATED ION CHANNEL SUBUNITS ENCODED BY C GLUTAMATE RECEPTOR GENES. PROC.NATL.ACAD.SCI.USA V. 112 E6048 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY A:301;
B:301;
Valid;
Valid;
none;
none;
Kd = 2.7 nM
75.067 C2 H5 N O2 C(C(=...
MG A:302;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
SO4 B:302;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YKI 1.21 Å NON-ENZYME: BINDING MNEMIOPSIS LEIDYI ML032222A IGLUR LBD GLYCINE COMPLEX MNEMIOPSIS LEIDYI MEMBRANE PROTEIN GLUTAMATE RECEPTOR ION CHANNEL
Ref.: GLYCINE ACTIVATED ION CHANNEL SUBUNITS ENCODED BY C GLUTAMATE RECEPTOR GENES. PROC.NATL.ACAD.SCI.USA V. 112 E6048 2015
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 4YKK Ki = 1.7 mM DSN C3 H7 N O3 C([C@H](C(....
2 5CMC Kd = 2.48 uM GLY C2 H5 N O2 C(C(=O)O)N
3 5CMB Kd = 28.3 nM GLY C2 H5 N O2 C(C(=O)O)N
4 4YKJ Ki = 37 uM ALA C3 H7 N O2 C[C@@H](C(....
5 4YKI Kd = 2.7 nM GLY C2 H5 N O2 C(C(=O)O)N
6 4YKP - GLY C2 H5 N O2 C(C(=O)O)N
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 4YKK Ki = 1.7 mM DSN C3 H7 N O3 C([C@H](C(....
2 5CMC Kd = 2.48 uM GLY C2 H5 N O2 C(C(=O)O)N
3 5CMB Kd = 28.3 nM GLY C2 H5 N O2 C(C(=O)O)N
4 4YKJ Ki = 37 uM ALA C3 H7 N O2 C[C@@H](C(....
5 4YKI Kd = 2.7 nM GLY C2 H5 N O2 C(C(=O)O)N
6 4YKP - GLY C2 H5 N O2 C(C(=O)O)N
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: GLY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY 1 1
2 BAL 0.5625 0.708333
3 ABU 0.473684 0.708333
4 MCR 0.466667 0.65
5 2RA 0.421053 0.692308
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YKI; Ligand: GLY; Similar sites found with APoc: 85
This union binding pocket(no: 1) in the query (biounit: 4yki.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4DYG MES 2.04918
2 3CEV ARG 2.34375
3 2ITM XUL 2.34375
4 4I8P NAD 2.34375
5 3ITJ FAD 2.73438
6 1WOG 16D 2.73438
7 5OKU 0L1 2.73438
8 4LZJ 22H 2.73438
9 4ZTE 4RL 2.8436
10 2OYS FMN 2.89256
11 4H6U ACO 3
12 4EUE NAI 3.125
13 3PFD FDA 3.125
14 6D28 NEC 3.125
15 3PNL ADP 3.31754
16 4XJC TTP 3.38983
17 1WK9 TSB 3.42466
18 2YI0 YI0 3.49345
19 2ZJ3 G6P 3.51562
20 2X06 NAD 3.51562
21 5WS9 AMP 3.51562
22 3CR3 ADP 3.64583
23 4XTX 590 3.90625
24 4EUO ABU 3.90625
25 1FW1 GSH 4.16667
26 4M51 BEZ 4.29688
27 1RX0 FAD 4.29688
28 1EGD FAD 4.29688
29 3O75 F1X 4.29688
30 2GJN NIS 4.29688
31 3NY4 SMX 4.29688
32 5EXE 5SR 4.29688
33 1GPM CIT 4.29688
34 6CMJ F6J 4.6875
35 2E2R 2OH 4.91803
36 4LA7 A1O 5.18135
37 5UC4 83S 5.45455
38 1MOQ GLP 5.46875
39 1D3V ABH 6.25
40 4I06 X8A 6.25
41 3VV5 SLZ 6.25
42 4PZ2 NAD 6.25
43 1LAF ARG 6.30252
44 3N26 ARG 6.50407
45 1XT8 CYS 6.64062
46 2POC BG6 6.64062
47 2YPO PHE 6.64062
48 5MDH NAD 7.03125
49 4Q3R XA2 7.8125
50 4Q3S X7A 7.8125
51 6CUZ FEV 7.8125
52 4WEY EG6 7.93651
53 2E3N 6CM 8.23529
54 2VHA GLU 8.59375
55 4AMV F6R 8.59375
56 5LLT DND 8.92019
57 5AA4 6X4 9.375
58 2YJP CYS 9.76562
59 2AEB ABH 9.76562
60 1JBW ACQ 9.76562
61 2HY0 306 9.76562
62 4A1O JLN 9.76562
63 2C94 TSF 10
64 5XNC MTA 10.1562
65 1L1Q 9DA 10.7527
66 5X2Z 3LM 11.3281
67 4PXL NAD 12.8906
68 2Y7I ARG 13.9738
69 4YMX ARG 16.7969
70 4DZ1 DAL 17.1875
71 4KQP GLN 25.431
72 6GPC ARG 26.1905
73 2PYY GLU 33.3333
74 5L9O GOP 34.7656
75 2Q89 6CS 34.7656
76 1II5 GLU 39.485
77 2RC8 DSN 40.2344
78 2RCA GLY 40.625
79 1PBQ DK1 40.625
80 3OEN GLU 43.3594
81 4IO2 GLU 45.5645
82 4ZV1 ARG 46.3519
83 5DEX GLY 47.6562
84 4JWX 1N4 47.6562
85 5DEX 5E0 47.6562
Pocket No.: 2; Query (leader) PDB : 4YKI; Ligand: GLY; Similar sites found with APoc: 37
This union binding pocket(no: 2) in the query (biounit: 4yki.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4WJT NAG 1.79641
2 4USI ATP 1.94805
3 5NJI 8Z2 2.34375
4 3KDJ A8S 2.73438
5 5O3N 4LU 2.73438
6 5OGX FAD 2.73438
7 4M52 FAD 3.125
8 1HYH NAD 3.125
9 2GFD RDA 3.38983
10 1VDC FAD 3.51562
11 3KV8 FAH 3.59712
12 3EFS BTN 3.86266
13 4IU0 ABH 3.90625
14 3N8K D1X 4.06977
15 3MMH SME 4.19162
16 2VOT NHV 4.6875
17 1YC5 NCA 4.87805
18 6E2O S0L 5.46875
19 2Z5Y HRM 5.46875
20 4NWJ 3PG 5.85938
21 5T8O 76Z 6.64062
22 2E27 AB0 6.72269
23 4IEN COA 6.74847
24 1SG4 CO8 7.8125
25 1P4A PCP 8.98438
26 1K0E TRP 8.98438
27 3HVJ 705 9.04977
28 6BQ6 TER 9.375
29 5APG EEM 10.2703
30 4ZRB COA 10.9489
31 5JO1 6LM 11.3514
32 3E5A VX6 11.3636
33 1TDF FAD 12.5
34 6ES9 FAD 12.5
35 3VPB ADP 12.5
36 1RKX NAD 14.4531
37 5H86 BCO 16.6667
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