Receptor
PDB id Resolution Class Description Source Keywords
4YKK 1.38 Å NON-ENZYME: BINDING MNEMIOPSIS LEIDYI ML032222A IGLUR LBD D-SERINE 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 B:302;
A:303;
Valid;
Valid;
none;
none;
submit data
75.067 C2 H5 N O2 C(C(=...
DSN B:301;
A:302;
Valid;
Valid;
none;
none;
Ki = 1.7 mM
105.093 C3 H7 N O3 C([C@...
MG A:301;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
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 473 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 355 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 (237)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 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 1MY3 - BWD C7 H8 Br N3 O4 C1=C(C(=O)....
14 3ILU - HFZ C8 H8 F3 N3 O4 S2 c1c(c(cc2c....
15 3PMV - 557 C17 H22 F3 N3 O3 S C[C@H](CNS....
16 5H8S - 5YC C15 H16 N4 O S CCN(CC1=CC....
17 2XHD - GLU C5 H9 N O4 C(CC(=O)O)....
18 3B7D - CNI C9 H2 N4 O4 C1=C(C(=CC....
19 4U1Z - KAI C10 H15 N O4 CC(=C)[C@H....
20 1WVJ Ki = 185 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
21 1P1U - AMQ C7 H10 N2 O4 Cc1c(c(no1....
22 4Q30 - NWD C7 H8 N4 O6 C1=C(C(=O)....
23 4U23 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
24 1MQG ic50 = 0.52 uM IWD C7 H8 I N3 O4 C1=C(C(=O)....
25 3BBR - BHY C20 H28 N2 O4 S2 C[C@@H](CN....
26 3LSF - PZI C6 H10 N2 O2 C1CC(=O)N(....
27 3PMX - 808 C18 H20 F3 N O3 S CC(C)S(=O)....
28 2ANJ - KAI C10 H15 N O4 CC(=C)[C@H....
29 2XX8 - 1NE C17 H18 F3 N3 O CN(C)C(=O)....
30 1P1Q Kd = 12.8 uM AMQ C7 H10 N2 O4 Cc1c(c(no1....
31 2AL5 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
32 1M5E ic50 = 20.1 nM AM1 C8 H10 N2 O5 Cc1c(c(no1....
33 3BKI ic50 = 7.6 uM FQX C8 H4 N4 O4 c1c2c(cc3c....
34 2AIX - U1K C10 H16 N2 O3 S CC(C)(C)c1....
35 3B6W - GLU C5 H9 N O4 C(CC(=O)O)....
36 2I3W - GLU C5 H9 N O4 C(CC(=O)O)....
37 3O6H - O25 C18 H22 F3 N5 O2 S CCNCc1cn(n....
38 3KGC - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
39 3BFU Ki = 531 nM R2P C5 H7 N3 O3 S C(c1c(nsn1....
40 3UA8 ic50 = 14 nM 08W C15 H13 F3 N6 O5 S CNC(=O)c1c....
41 4LZ7 - GLU C5 H9 N O4 C(CC(=O)O)....
42 1FTL ic50 = 998 nM DNQ C8 H2 N4 O6 C1=C(C(=CC....
43 3B6Q - GLU C5 H9 N O4 C(CC(=O)O)....
44 3RN8 - RN8 C22 H16 N2 O4 S2 CCc1c(c(c(....
45 1P1W - AMQ C7 H10 N2 O4 Cc1c(c(no1....
46 1MQI ic50 = 23.53 nM FWD C7 H8 F N3 O4 C1=C(C(=O)....
47 3O29 - O29 C23 H30 F3 N5 O2 S CN(C)CCNC(....
48 1FTJ ic50 = 821 nM GLU C5 H9 N O4 C(CC(=O)O)....
49 3PD9 Ki = 494 nM HA5 C7 H8 N2 O4 C1c2c(onc2....
50 1M5B ic50 = 9.7 nM BN1 C8 H10 N6 O4 Cn1nc(nn1)....
51 3EN3 - KAI C10 H15 N O4 CC(=C)[C@H....
52 1SYH Ki = 393 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
53 4X48 - XPF C18 H20 N2 O4 S2 CC(C)S(=O)....
54 3H6W - NS7 C19 H29 N3 O4 S2 Cc1cc2c(cc....
55 1MY4 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
56 4IGT Ki = 40.8 uM 3ZA C9 H16 N2 O6 CN(C(=O)CC....
57 3M3L - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
58 5CBR Kd = 1.8 uM 4ZK C14 H12 Cl2 N2 O3 c1c(cc(c(c....
59 4GXS - 0YS C18 H21 Cl2 N3 O9 c1c(cc(c(c....
60 4U21 - FWF C24 H36 N2 O4 S2 C[C@@H](CN....
61 4YMA - 4E5 C12 H13 N O5 c1c(cc(cc1....
62 1FW0 - KAI C10 H15 N O4 CC(=C)[C@H....
63 1LB8 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
64 3FAS Ki = 171 nM GLU C5 H9 N O4 C(CC(=O)O)....
65 4U22 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
66 4ISU Ki = 0.21 mM IKM C12 H14 N2 O6 C1C=C[C@H]....
67 1MXU ic50 = 4 uM BWD C7 H8 Br N3 O4 C1=C(C(=O)....
68 4U4X Kd = 9.8 uM 3C2 C8 H11 N3 O2 S CCN1CNS(=O....
69 1MM7 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
70 2XX9 - 1NF C19 H19 F4 N3 O c1cc(c(cc1....
71 3M3K - GLU C5 H9 N O4 C(CC(=O)O)....
72 2XXH - 1NG C20 H22 F3 N3 O c1cc(ccc1C....
73 5FHM - 5XP C15 H17 N7 O4 c1cc(cc(c1....
74 4N07 Kd = 0.35 uM 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
75 3IJO - GLU C5 H9 N O4 C(CC(=O)O)....
76 3RNN - RNN C16 H28 N2 O4 S2 CC(C)S(=O)....
77 2AL4 - QUS C5 H7 N3 O5 C([C@@H](C....
78 4LZ5 - GLU C5 H9 N O4 C(CC(=O)O)....
79 4U4S Kd = 1200 uM 3C1 C8 H11 N3 O2 S CCN1CNS(=O....
80 4G8M Kd = 12.8 nM G8M C7 H11 N O4 C1C[C@@H](....
81 3H6T - CYZ C14 H16 Cl N3 O4 S2 c1c2c(cc(c....
82 3O6G - O27 C23 H28 F3 N5 O2 S C1CCc2c(c(....
83 1NNP - CE2 C10 H15 N2 O4 CC(C)(C)c1....
84 1P1N Kd = 0.16 uM KAI C10 H15 N O4 CC(=C)[C@H....
85 1M5D ic50 = 9.2 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
86 3IK6 - GLU C5 H9 N O4 C(CC(=O)O)....
87 2XXI - JAC C18 H18 F3 N3 O2 c1cc(ccc1C....
88 4O3A Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
89 3B6T - QUS C5 H7 N3 O5 C([C@@H](C....
90 4FAT - GLU C5 H9 N O4 C(CC(=O)O)....
91 3H6U - NS3 C18 H28 N4 O4 S2 Cc1cc2c(cc....
92 1NNK ic50 = 3.5 uM CE2 C10 H15 N2 O4 CC(C)(C)c1....
93 3FAT Ki = 22.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
94 3T9X - GLU C5 H9 N O4 C(CC(=O)O)....
95 1MY2 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
96 3ILT - TRU C8 H8 Cl3 N3 O4 S2 c1c2c(cc(c....
97 3O6I - O26 C20 H29 N5 O2 S CC(C)(C)c1....
98 3DLN - GLU C5 H9 N O4 C(CC(=O)O)....
99 3RTW - NWD C7 H8 N4 O6 C1=C(C(=O)....
100 1MQD ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
101 3T93 - GLU C5 H9 N O4 C(CC(=O)O)....
102 4F29 Ki = 0.168 uM QUS C5 H7 N3 O5 C([C@@H](C....
103 1MS7 ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
104 3R7X ic50 = 0.082 uM QSN C12 H10 N6 O6 S CS(=O)(=O)....
105 3BFT Ki = 323 nM S2P C5 H7 N3 O3 S C(c1c(nsn1....
106 5JEI - FWD C7 H8 F N3 O4 C1=C(C(=O)....
107 3O28 - O28 C19 H21 F3 N4 O2 S C1CCc2c(c(....
108 4IY6 - MQS C15 H17 N3 O C[C@H]1CCC....
109 3LSL - PZI C6 H10 N2 O2 C1CC(=O)N(....
110 2XX7 - 1ND C19 H20 F3 N3 O c1cc(ccc1C....
111 1FTM Kd = 24.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
112 2GFE - GLU C5 H9 N O4 C(CC(=O)O)....
113 4F31 Ki = 2.08 uM KAI C10 H15 N O4 CC(=C)[C@H....
114 3T9U - CNI C9 H2 N4 O4 C1=C(C(=CC....
115 3T96 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
116 3KFM - KAI C10 H15 N O4 CC(=C)[C@H....
117 2I3V - GLU C5 H9 N O4 C(CC(=O)O)....
118 3T9H - KAI C10 H15 N O4 CC(=C)[C@H....
119 3PMW - G69 C18 H22 F3 N3 O3 S CC(C)S(=O)....
120 3H6V - NS6 C18 H27 N3 O4 S2 CN1CCN(CC1....
121 1LBB - KAI C10 H15 N O4 CC(=C)[C@H....
122 5BUU - 4V6 C10 H13 Cl N2 O2 S C[C@@H]1N(....
123 3H03 ic50 = 135 uM UBP C10 H13 N3 O6 C1=CN(C(=O....
124 1LB9 - DNQ C8 H2 N4 O6 C1=C(C(=CC....
125 1N0T ic50 = 12.2 uM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
126 3T9V - CNI C9 H2 N4 O4 C1=C(C(=CC....
127 1GR2 - KAI C10 H15 N O4 CC(=C)[C@H....
128 3IL1 - GLU C5 H9 N O4 C(CC(=O)O)....
129 3DP6 - GLU C5 H9 N O4 C(CC(=O)O)....
130 4O3C Ki = 2.57 mM ASP C4 H7 N O4 C([C@@H](C....
131 3RTF - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
132 1MM6 ic50 = 20 nM QUS C5 H7 N3 O5 C([C@@H](C....
133 4F3G Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
134 4IY5 - GLU C5 H9 N O4 C(CC(=O)O)....
135 4F39 Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)[C@H....
136 5FHO - 5XN C14 H14 Cl N6 O4 c1cc(cc(c1....
137 2P2A Ki = 0.75 uM MP9 C14 H14 N6 O4 c1ccc(cc1)....
138 3TZA ic50 = 3.4 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
139 5NIH Ki = 237 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
140 3O2A - O30 C22 H28 F3 N5 O2 S C1CCc2c(c(....
141 4LZ8 - 1YX C19 H27 F N4 O4 S CC(C)S(=O)....
142 1MQJ ic50 = 4.76 uM HWD C7 H9 N3 O4 C1=CN(C(=O....
143 5NG9 Ki = 403 nM 8VN C7 H8 N2 O5 C1[C@H]2[C....
144 5NS9 - GLU C5 H9 N O4 C(CC(=O)O)....
145 4F1Y Kd = 0.96 uM CNI C9 H2 N4 O4 C1=C(C(=CC....
146 5ELV Kd = 0.16 uM 5PX C10 H12 N2 O3 S c1cc2c(cc1....
147 4U1O - KAI C10 H15 N O4 CC(=C)[C@H....
148 1LBC - GLU C5 H9 N O4 C(CC(=O)O)....
149 3TDJ - GLU C5 H9 N O4 C(CC(=O)O)....
150 5FHN - 5XO C15 H16 N6 O4 Cc1cccc(c1....
151 4QF9 Ki = 16.1 uM 35K C12 H13 N3 O4 c1cc2c(cc1....
152 1TXF Ki = 57.2 nM GLU C5 H9 N O4 C(CC(=O)O)....
153 3GBB Ki = 126 nM MS8 C11 H17 N O6 C1C[C@@H]2....
154 5MFQ - 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
155 3FVN Ki = 169 nM 9DX C11 H17 N O7 C1CO[C@@H]....
156 1YCJ - GLU C5 H9 N O4 C(CC(=O)O)....
157 3C35 - KAI C10 H15 N O4 CC(=C)[C@H....
158 5MFW - KAI C10 H15 N O4 CC(=C)[C@H....
159 3C31 - KAI C10 H15 N O4 CC(=C)[C@H....
160 3FV1 Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
161 3C34 - KAI C10 H15 N O4 CC(=C)[C@H....
162 2F36 - GLU C5 H9 N O4 C(CC(=O)O)....
163 3GBA Ki = 0.848 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
164 3FV2 Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
165 2QS4 Kd = 38 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
166 2QS3 Kd = 1.4 nM UBE C20 H19 N3 O6 S CC1=CN(C(=....
167 2OJT - UBA C14 H15 N3 O6 S CC1=CN(C(=....
168 3C33 - KAI C10 H15 N O4 CC(=C)[C@H....
169 2WKY Ki = 2.57 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
170 2PBW Ki = 5.56 nM DOQ C15 H21 N O6 C[C@H](C=C....
171 4YMB Ki = 0.62 uM 4E7 C15 H19 N O4 CCC[C@@H]1....
172 3FVG Ki = 128 nM MS8 C11 H17 N O6 C1C[C@@H]2....
173 3C36 - KAI C10 H15 N O4 CC(=C)[C@H....
174 2F34 Kd = 0.13 uM UBA C14 H15 N3 O6 S CC1=CN(C(=....
175 3C32 - KAI C10 H15 N O4 CC(=C)[C@H....
176 2QS2 Kd = 186 nM UBF C13 H12 Br N3 O6 S c1csc(c1CN....
177 4DLD Ki = 1.5 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
178 3FVK Ki = 1.5 nM 8DX C11 H17 N O7 C1[C@@H](C....
179 2ZNU Ki = 7.7 nM NDZ C11 H17 N O8 C1[C@@H]2[....
180 3S2V Ki = 157 nM 3HU C15 H13 N3 O6 S2 c1csc(c1CN....
181 2QS1 Kd = 33 nM UB1 C14 H13 Br2 N3 O6 S CC1=CN(C(=....
182 4E0X - KAI C10 H15 N O4 CC(=C)[C@H....
183 5MFV - KAI C10 H15 N O4 CC(=C)[C@H....
184 2ZNT Ki = 0.5 nM DYH C12 H20 N2 O7 CN[C@@H]1[....
185 2F35 Kd = 3.94 uM UBC C15 H15 N3 O6 c1ccc(c(c1....
186 5NEB Ki = 85 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
187 1VSO Ki = 18980 nM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
188 5CC2 Kd = 80 uM CKA C10 H6 Cl N O3 c1cc2c(cc1....
189 2V3U Kd = 1 mM DSN C3 H7 N O3 C([C@H](C(....
190 4MH5 Ki = 7.43 uM GGL C5 H9 N O4 C(CC(=O)O)....
191 3U92 - KAI C10 H15 N O4 CC(=C)[C@H....
192 4E0W - KAI C10 H15 N O4 CC(=C)[C@H....
193 5O4F Ki = 22 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
194 4NWC Ki = 1.74 uM 2QE C9 H15 N O6 COC(=O)CC[....
195 4G8N Kd = 63 nM G8M C7 H11 N O4 C1C[C@@H](....
196 4YKK Ki = 1.7 mM DSN C3 H7 N O3 C([C@H](C(....
197 5CMC Kd = 2.48 uM GLY C2 H5 N O2 C(C(=O)O)N
198 5CMB Kd = 28.3 nM GLY C2 H5 N O2 C(C(=O)O)N
199 4YKJ Ki = 37 uM ALA C3 H7 N O2 C[C@@H](C(....
200 4YKI Kd = 2.7 nM GLY C2 H5 N O2 C(C(=O)O)N
201 4YKP - GLY C2 H5 N O2 C(C(=O)O)N
202 5EHM - OEM C5 H9 N O4 CN[C@H](CC....
203 5EHS - 2JJ C5 H12 N O5 P C(C[C@H](C....
204 5DTB - GLU C5 H9 N O4 C(CC(=O)O)....
205 4F2O Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
206 3DP4 Kd = 43 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
207 4F22 Ki = 30.26 uM KAI C10 H15 N O4 CC(=C)[C@H....
208 4F3B Ki = 1.271 uM GLU C5 H9 N O4 C(CC(=O)O)....
209 4F2Q Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
210 3RT8 - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
211 3M3F - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
212 3LSX - PZI C6 H10 N2 O2 C1CC(=O)N(....
213 3LSW - GLU C5 H9 N O4 C(CC(=O)O)....
214 4ZDM Kd = 31 nM GLY C2 H5 N O2 C(C(=O)O)N
215 4WXJ - GLU C5 H9 N O4 C(CC(=O)O)....
216 4H8I - 11W C20 H21 N3 O4 c1ccc(cc1)....
217 4BDQ - CYS C3 H7 N O2 S C([C@@H](C....
218 2XXW - GLU C5 H9 N O4 C(CC(=O)O)....
219 1SD3 - SYM C6 H10 N O4 C[C@H](C[C....
220 2XXX - GLU C5 H9 N O4 C(CC(=O)O)....
221 2XXR - GLU C5 H9 N O4 C(CC(=O)O)....
222 3QXM Ki = 33 nM NDZ C11 H17 N O8 C1[C@@H]2[....
223 1S9T Ki = 253 nM QUS C5 H7 N3 O5 C([C@@H](C....
224 4BDR - KAI C10 H15 N O4 CC(=C)[C@H....
225 2XXT - KAI C10 H15 N O4 CC(=C)[C@H....
226 5CMM - SYM C6 H10 N O4 C[C@H](C[C....
227 2XXU - GLU C5 H9 N O4 C(CC(=O)O)....
228 4BDN - GLU C5 H9 N O4 C(CC(=O)O)....
229 1S50 Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
230 2XXV - KAI C10 H15 N O4 CC(=C)[C@H....
231 5CMK ic50 = 30 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
232 4BDL - GLU C5 H9 N O4 C(CC(=O)O)....
233 1S7Y Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
234 1TT1 Ki = 64.6 nM KAI C10 H15 N O4 CC(=C)[C@H....
235 5IKB Kd = 1.9 nM KAI C10 H15 N O4 CC(=C)[C@H....
236 5DT6 - GLU C5 H9 N O4 C(CC(=O)O)....
237 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
Ligand no: 2; Ligand: DSN; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 SER 1 1
2 DSN 1 1
3 DCY 0.65 0.84
4 CYS 0.65 0.84
5 ABA 0.6 0.692308
6 DBB 0.6 0.692308
7 2RA 0.6 0.75
8 HSE 0.590909 0.821429
9 C2N 0.571429 0.730769
10 ASN 0.545455 0.625
11 ASP 0.545455 0.714286
12 DAS 0.545455 0.714286
13 DAB 0.521739 0.724138
14 AS2 0.5 0.703704
15 LEU 0.5 0.642857
16 HCS 0.5 0.777778
17 NVA 0.5 0.62069
18 CSO 0.5 0.636364
19 API 0.5 0.633333
20 CSS 0.48 0.689655
21 DGY 0.47619 0.607143
22 DGL 0.461538 0.655172
23 GLU 0.461538 0.655172
24 GGL 0.461538 0.655172
25 ORN 0.444444 0.689655
26 SLZ 0.433333 0.625
27 UN1 0.413793 0.633333
28 DLY 0.413793 0.666667
29 11C 0.413793 0.633333
30 CME 0.40625 0.666667
31 DHH 0.4 0.612903
32 LYS 0.4 0.645161
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YKI; Ligand: GLY; Similar sites found: 28
This union binding pocket(no: 1) in the query (biounit: 4yki.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CEV ARG 0.00268 0.41431 2.34375
2 1WOG 16D 0.003095 0.42788 2.73438
3 2OYS FMN 0.0263 0.40478 2.89256
4 3PNL ADP 0.02375 0.40782 3.31754
5 4XJC TTP 0.02436 0.40564 3.38983
6 2X06 NAD 0.02845 0.40543 3.51562
7 3CR3 ADP 0.01005 0.42152 3.64583
8 4EUO ABU 0.01234 0.40359 3.90625
9 1RX0 FAD 0.02404 0.42213 4.29688
10 1LAF ARG 0.01025 0.42441 6.30252
11 3N26 ARG 0.002256 0.44283 6.50407
12 1XT8 CYS 0.0001495 0.49381 6.64062
13 2VHA GLU 0.0000873 0.46454 8.59375
14 2YJP CYS 0.0001306 0.49591 9.76562
15 4DZ1 DAL 0.0002525 0.48371 17.1875
16 4G4P GLN 0.0007205 0.45062 25.4098
17 4KQP GLN 0.0002769 0.47986 25.431
18 2Q2A ARG 0.0003932 0.43332 28.5156
19 2PYY GLU 0.00001496 0.51473 33.3333
20 2RC8 DSN 0.000000008938 0.70984 40.2344
21 2RCA GLY 0.00000002185 0.62724 40.625
22 1PBQ DK1 0.00001524 0.52663 40.625
23 3OEN GLU 0.0000003974 0.56636 43.3594
24 4IO2 GLU 0.00002072 0.48589 45.5645
25 4ZV1 ARG 0.000511 0.44793 46.3519
26 5DEX GLY 0.00000002725 0.67643 47.6562
27 4JWX 1N4 0.0000008013 0.58625 47.6562
28 5DEX 5E0 0.00003474 0.56217 47.6562
Pocket No.: 2; Query (leader) PDB : 4YKI; Ligand: GLY; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4yki.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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