Receptor
PDB id Resolution Class Description Source Keywords
2f35 1.87 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE GLUR5 LIGAND BINDING CORE WITH UBP3 ANGSTROMS RESOLUTION RATTUS NORVEGICUS MEMBRANE PROTEIN
Ref.: CRYSTAL STRUCTURES OF THE KAINATE RECEPTOR GLUR5 LI BINDING CORE DIMER WITH NOVEL GLUR5-SELECTIVE ANTAG J.NEUROSCI. V. 26 2852 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PE A:602;
B:601;
Invalid;
Invalid;
none;
none;
submit data
238.278 C10 H22 O6 C(COC...
CL A:501;
B:502;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
UBC A:801;
B:802;
Valid;
Valid;
none;
none;
Kd = 3.94 uM
333.296 C15 H15 N3 O6 c1ccc...
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 (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 224 families.
1 1TXF Ki = 57.2 nM GLU C5 H9 N O4 C(CC(=O)O)....
2 3GBB Ki = 126 nM MS8 C11 H17 N O6 C1CC2C(CC(....
3 2QS3 Kd = 1.4 nM UBE C20 H19 N3 O6 S CC1=CN(C(=....
4 2OJT - UBA C14 H15 N3 O6 S CC1=CN(C(=....
5 3C33 - KAI C10 H15 N O4 CC(=C)C1CN....
6 2WKY Ki = 2.57 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
7 2PBW Ki = 5.56 nM DOQ C15 H21 N O6 CC(C=CC=C(....
8 3FVG Ki = 128 nM MS8 C11 H17 N O6 C1CC2C(CC(....
9 3C36 - KAI C10 H15 N O4 CC(=C)C1CN....
10 2F34 Kd = 0.13 uM UBA C14 H15 N3 O6 S CC1=CN(C(=....
11 3C32 - KAI C10 H15 N O4 CC(=C)C1CN....
12 2QS2 Kd = 186 nM UBF C13 H12 Br N3 O6 S c1csc(c1CN....
13 3FVN Ki = 169 nM 9DX C11 H17 N O7 C1COC2CC(O....
14 1YCJ - GLU C5 H9 N O4 C(CC(=O)O)....
15 4DLD Ki = 1.5 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
16 3FVK Ki = 1.5 nM 8DX C11 H17 N O7 C1C(COC2C1....
17 2ZNU Ki = 7.7 nM NDZ C11 H17 N O8 C1C2C(C(C(....
18 3S2V Ki = 157 nM 3HU C15 H13 N3 O6 S2 c1csc(c1CN....
19 3C35 - KAI C10 H15 N O4 CC(=C)C1CN....
20 3C31 - KAI C10 H15 N O4 CC(=C)C1CN....
21 3FV1 Ki = 0.5 nM DYH C12 H20 N2 O7 CNC1C(COC2....
22 2QS1 Kd = 33 nM UB1 C14 H13 Br2 N3 O6 S CC1=CN(C(=....
23 4E0X - KAI C10 H15 N O4 CC(=C)C1CN....
24 3C34 - KAI C10 H15 N O4 CC(=C)C1CN....
25 2F36 - GLU C5 H9 N O4 C(CC(=O)O)....
26 2ZNT Ki = 0.5 nM DYH C12 H20 N2 O7 CNC1C(COC2....
27 2F35 Kd = 3.94 uM UBC C15 H15 N3 O6 c1ccc(c(c1....
28 3GBA Ki = 0.848 nM DYH C12 H20 N2 O7 CNC1C(COC2....
29 3FV2 Ki = 7.7 nM NDZ C11 H17 N O8 C1C2C(C(C(....
30 1VSO Ki = 18980 nM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
31 2QS4 Kd = 38 nM LY5 C16 H24 F2 N2 O4 C1CC2CNC(C....
70% Homology Family (197)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 172 families.
1 4O3B Ki = 0.82 uM GLU C5 H9 N O4 C(CC(=O)O)....
2 3PD8 Ki = 108 nM HA7 C7 H8 N2 O4 C1CNC(c2c1....
3 1P1O Kd = 1.74 uM QUS C5 H7 N3 O5 C(C(C(=O)O....
4 4U22 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
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)C1CN....
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 4ISU Ki = 0.21 mM IKM C12 H14 N2 O6 C1C=CC2C(N....
10 1MXU ic50 = 4 uM BWD C7 H8 Br N3 O4 C1=C(C(=O)....
11 4U4X Kd = 9.8 uM 3C2 C8 H11 N3 O2 S CCN1CNS(=O....
12 1MM7 ic50 = 20 nM QUS C5 H7 N3 O5 C(C(C(=O)O....
13 1XHY Ki = 624 nM KAI C10 H15 N O4 CC(=C)C1CN....
14 1M5C ic50 = 0.5 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
15 2XX9 - 1NF C19 H19 F4 N3 O c1cc(c(cc1....
16 2XXH - 1NG C20 H22 F3 N3 O c1cc(ccc1C....
17 1SYI Ki = 3330 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
18 1MY3 - BWD C7 H8 Br N3 O4 C1=C(C(=O)....
19 3ILU - HFZ C8 H8 F3 N3 O4 S2 c1c(c(cc2c....
20 4N07 Kd = 0.35 uM 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
21 3IJO - GLU C5 H9 N O4 C(CC(=O)O)....
22 3PMV - 557 C17 H22 F3 N3 O3 S CC(C)S(=O)....
23 3RNN - RNN C16 H28 N2 O4 S2 CC(C)S(=O)....
24 2AL4 - QUS C5 H7 N3 O5 C(C(C(=O)O....
25 4LZ5 - GLU C5 H9 N O4 C(CC(=O)O)....
26 4U4S Kd = 1200 uM 3C1 C8 H11 N3 O2 S CCN1CNS(=O....
27 4G8M Kd = 12.8 nM G8M C7 H11 N O4 C1CC(C1C(C....
28 3H6T - CYZ C14 H16 Cl N3 O4 S2 c1c2c(cc(c....
29 3O6G - O27 C23 H28 F3 N5 O2 S C1CCc2c(c(....
30 1NNP - CE2 C10 H15 N2 O4 CC(C)(C)c1....
31 2XHD - GLU C5 H9 N O4 C(CC(=O)O)....
32 3B7D - CNI C9 H2 N4 O4 C1=C(C(=CC....
33 1P1N Kd = 0.16 uM KAI C10 H15 N O4 CC(=C)C1CN....
34 1M5D ic50 = 9.2 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
35 4U1Z - KAI C10 H15 N O4 CC(=C)C1CN....
36 3IK6 - GLU C5 H9 N O4 C(CC(=O)O)....
37 2XXI - JAC C18 H18 F3 N3 O2 c1cc(ccc1C....
38 1WVJ Ki = 185 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
39 1P1U - AMQ C7 H10 N2 O4 Cc1c(c(no1....
40 4O3A Ki = 2.57 mM ASP C4 H7 N O4 C(C(C(=O)O....
41 3B6T - QUS C5 H7 N3 O5 C(C(C(=O)O....
42 4Q30 - NWD C7 H8 N4 O6 C1=C(C(=O)....
43 4U23 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
44 4FAT - GLU C5 H9 N O4 C(CC(=O)O)....
45 3H6U - NS3 C18 H28 N4 O4 S2 Cc1cc2c(cc....
46 1NNK ic50 = 3.5 uM CE2 C10 H15 N2 O4 CC(C)(C)c1....
47 3FAT Ki = 22.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
48 1MQG ic50 = 0.52 uM IWD C7 H8 I N3 O4 C1=C(C(=O)....
49 3T9X - GLU C5 H9 N O4 C(CC(=O)O)....
50 1MY2 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
51 3ILT - TRU C8 H8 Cl3 N3 O4 S2 c1c2c(cc(c....
52 3O6I - O26 C20 H29 N5 O2 S CC(C)(C)c1....
53 3BBR - BHY C20 H28 N2 O4 S2 CC(CNS(=O)....
54 3RTW - NWD C7 H8 N4 O6 C1=C(C(=O)....
55 1MQD ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
56 3T93 - GLU C5 H9 N O4 C(CC(=O)O)....
57 3LSF - PZI C6 H10 N2 O2 C1CC(=O)N(....
58 3PMX - 808 C18 H20 F3 N O3 S CC(C)S(=O)....
59 2ANJ - KAI C10 H15 N O4 CC(=C)C1CN....
60 1MS7 ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
61 2XX8 - 1NE C17 H18 F3 N3 O CN(C)C(=O)....
62 3R7X ic50 = 0.082 uM QSN C12 H10 N6 O6 S CS(=O)(=O)....
63 3BFT Ki = 323 nM S2P C5 H7 N3 O3 S C(c1c(nsn1....
64 1P1Q Kd = 12.8 uM AMQ C7 H10 N2 O4 Cc1c(c(no1....
65 2AL5 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
66 1M5E ic50 = 20.1 nM AM1 C8 H10 N2 O5 Cc1c(c(no1....
67 3O28 - O28 C19 H21 F3 N4 O2 S C1CCc2c(c(....
68 4IY6 - MQS C15 H17 N3 O CC1CCCN(C1....
69 3BKI ic50 = 7.6 uM FQX C8 H4 N4 O4 c1c2c(cc3c....
70 3LSL - PZI C6 H10 N2 O2 C1CC(=O)N(....
71 2XX7 - 1ND C19 H20 F3 N3 O c1cc(ccc1C....
72 2AIX - U1K C10 H16 N2 O3 S CC(C)(C)c1....
73 1FTM Kd = 24.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
74 2GFE - GLU C5 H9 N O4 C(CC(=O)O)....
75 3B6W - GLU C5 H9 N O4 C(CC(=O)O)....
76 3T9U - CNI C9 H2 N4 O4 C1=C(C(=CC....
77 2I3W - GLU C5 H9 N O4 C(CC(=O)O)....
78 3T96 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
79 3O6H - O25 C18 H22 F3 N5 O2 S CCNCc1cn(n....
80 3KFM - KAI C10 H15 N O4 CC(=C)C1CN....
81 2I3V - GLU C5 H9 N O4 C(CC(=O)O)....
82 3KGC - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
83 3T9H - KAI C10 H15 N O4 CC(=C)C1CN....
84 3PMW - G69 C18 H22 F3 N3 O3 S CC(C)S(=O)....
85 3H6V - NS6 C18 H27 N3 O4 S2 CN1CCN(CC1....
86 3BFU Ki = 531 nM R2P C5 H7 N3 O3 S C(c1c(nsn1....
87 3UA8 ic50 = 14 nM 08W C15 H13 F3 N6 O5 S CNC(=O)c1c....
88 1LBB - KAI C10 H15 N O4 CC(=C)C1CN....
89 4LZ7 - GLU C5 H9 N O4 C(CC(=O)O)....
90 3H03 ic50 = 135 uM UBP C10 H13 N3 O6 C1=CN(C(=O....
91 3M3F - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
92 1FTL ic50 = 998 nM DNQ C8 H2 N4 O6 C1=C(C(=CC....
93 1LB9 - DNQ C8 H2 N4 O6 C1=C(C(=CC....
94 3B6Q - GLU C5 H9 N O4 C(CC(=O)O)....
95 1N0T ic50 = 12.2 uM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
96 3T9V - CNI C9 H2 N4 O4 C1=C(C(=CC....
97 1GR2 - KAI C10 H15 N O4 CC(=C)C1CN....
98 3RN8 - RN8 C22 H16 N2 O4 S2 CCc1c(c(c(....
99 1P1W - AMQ C7 H10 N2 O4 Cc1c(c(no1....
100 3LSX - PZI C6 H10 N2 O2 C1CC(=O)N(....
101 1MQI ic50 = 23.53 nM FWD C7 H8 F N3 O4 C1=C(C(=O)....
102 3O29 - O29 C23 H30 F3 N5 O2 S CN(C)CCNC(....
103 3IL1 - GLU C5 H9 N O4 C(CC(=O)O)....
104 1FTJ ic50 = 821 nM GLU C5 H9 N O4 C(CC(=O)O)....
105 3DP6 - GLU C5 H9 N O4 C(CC(=O)O)....
106 4O3C Ki = 2.57 mM ASP C4 H7 N O4 C(C(C(=O)O....
107 3RTF - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
108 1MM6 ic50 = 20 nM QUS C5 H7 N3 O5 C(C(C(=O)O....
109 3PD9 Ki = 494 nM HA5 C7 H8 N2 O4 C1c2c(onc2....
110 4F3G Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)C1CN....
111 1M5B ic50 = 9.7 nM BN1 C8 H10 N6 O4 Cn1nc(nn1)....
112 4IY5 - GLU C5 H9 N O4 C(CC(=O)O)....
113 4F39 Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)C1CN....
114 3EN3 - KAI C10 H15 N O4 CC(=C)C1CN....
115 2P2A Ki = 0.75 uM MP9 C14 H14 N6 O4 c1ccc(cc1)....
116 1SYH Ki = 393 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
117 3TZA ic50 = 3.4 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
118 3H6W - NS7 C19 H29 N3 O4 S2 Cc1cc2c(cc....
119 1MY4 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
120 4IGT Ki = 40.8 uM 3ZA C9 H16 N2 O6 CN(C(=O)CC....
121 3M3L - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
122 3O2A - O30 C22 H28 F3 N5 O2 S C1CCc2c(c(....
123 4LZ8 - 1YX C19 H27 F N4 O4 S CC(C)S(=O)....
124 1MQJ ic50 = 4.76 uM HWD C7 H9 N3 O4 C1=CN(C(=O....
125 4F1Y Kd = 0.96 uM CNI C9 H2 N4 O4 C1=C(C(=CC....
126 4GXS - 0YS C18 H21 Cl2 N3 O9 c1c(cc(c(c....
127 4U21 - FWF C24 H36 N2 O4 S2 CC(C)S(=O)....
128 4U1O - KAI C10 H15 N O4 CC(=C)C1CN....
129 1FW0 - KAI C10 H15 N O4 CC(=C)C1CN....
130 1LB8 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
131 1LBC - GLU C5 H9 N O4 C(CC(=O)O)....
132 3TDJ - GLU C5 H9 N O4 C(CC(=O)O)....
133 3QXM Ki = 33 nM NDZ C11 H17 N O8 C1C2C(C(C(....
134 1S9T Ki = 253 nM QUS C5 H7 N3 O5 C(C(C(=O)O....
135 4BDR - KAI C10 H15 N O4 CC(=C)C1CN....
136 2XXT - KAI C10 H15 N O4 CC(=C)C1CN....
137 4H8I - 11W C20 H21 N3 O4 c1ccc(cc1)....
138 2XXU - GLU C5 H9 N O4 C(CC(=O)O)....
139 4BDN - GLU C5 H9 N O4 C(CC(=O)O)....
140 4BDQ - CYS C3 H7 N O2 S C(C(C(=O)O....
141 1S50 Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
142 2XXW - GLU C5 H9 N O4 C(CC(=O)O)....
143 1SD3 - SYM C6 H10 N O4 CC(CC(C(=O....
144 2XXV - KAI C10 H15 N O4 CC(=C)C1CN....
145 4BDL - GLU C5 H9 N O4 C(CC(=O)O)....
146 2XXX - GLU C5 H9 N O4 C(CC(=O)O)....
147 2XXR - GLU C5 H9 N O4 C(CC(=O)O)....
148 1S7Y Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
149 1TT1 Ki = 64.6 nM KAI C10 H15 N O4 CC(=C)C1CN....
150 3FAS Ki = 171 nM GLU C5 H9 N O4 C(CC(=O)O)....
151 3LSW - GLU C5 H9 N O4 C(CC(=O)O)....
152 3M3K - GLU C5 H9 N O4 C(CC(=O)O)....
153 4F2O Ki = 0.042 uM QUS C5 H7 N3 O5 C(C(C(=O)O....
154 3DP4 Kd = 43 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
155 4F22 Ki = 30.26 uM KAI C10 H15 N O4 CC(=C)C1CN....
156 4F3B Ki = 1.271 uM GLU C5 H9 N O4 C(CC(=O)O)....
157 4F2Q Ki = 0.042 uM QUS C5 H7 N3 O5 C(C(C(=O)O....
158 3DLN - GLU C5 H9 N O4 C(CC(=O)O)....
159 4F29 Ki = 0.168 uM QUS C5 H7 N3 O5 C(C(C(=O)O....
160 3RT8 - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
161 4F31 Ki = 2.08 uM KAI C10 H15 N O4 CC(=C)C1CN....
162 4MH5 Ki = 7.43 uM GGL C5 H9 N O4 C(CC(=O)O)....
163 4NWC Ki = 1.74 uM 2QE C9 H15 N O6 COC(=O)CCC....
164 3U92 - KAI C10 H15 N O4 CC(=C)C1CN....
165 4E0W - KAI C10 H15 N O4 CC(=C)C1CN....
166 4G8N Kd = 63 nM G8M C7 H11 N O4 C1CC(C1C(C....
167 1TXF Ki = 57.2 nM GLU C5 H9 N O4 C(CC(=O)O)....
168 3GBB Ki = 126 nM MS8 C11 H17 N O6 C1CC2C(CC(....
169 2QS3 Kd = 1.4 nM UBE C20 H19 N3 O6 S CC1=CN(C(=....
170 2OJT - UBA C14 H15 N3 O6 S CC1=CN(C(=....
171 3C33 - KAI C10 H15 N O4 CC(=C)C1CN....
172 2WKY Ki = 2.57 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
173 2PBW Ki = 5.56 nM DOQ C15 H21 N O6 CC(C=CC=C(....
174 3FVG Ki = 128 nM MS8 C11 H17 N O6 C1CC2C(CC(....
175 3C36 - KAI C10 H15 N O4 CC(=C)C1CN....
176 2F34 Kd = 0.13 uM UBA C14 H15 N3 O6 S CC1=CN(C(=....
177 3C32 - KAI C10 H15 N O4 CC(=C)C1CN....
178 2QS2 Kd = 186 nM UBF C13 H12 Br N3 O6 S c1csc(c1CN....
179 3FVN Ki = 169 nM 9DX C11 H17 N O7 C1COC2CC(O....
180 1YCJ - GLU C5 H9 N O4 C(CC(=O)O)....
181 4DLD Ki = 1.5 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
182 3FVK Ki = 1.5 nM 8DX C11 H17 N O7 C1C(COC2C1....
183 2ZNU Ki = 7.7 nM NDZ C11 H17 N O8 C1C2C(C(C(....
184 3S2V Ki = 157 nM 3HU C15 H13 N3 O6 S2 c1csc(c1CN....
185 3C35 - KAI C10 H15 N O4 CC(=C)C1CN....
186 3C31 - KAI C10 H15 N O4 CC(=C)C1CN....
187 3FV1 Ki = 0.5 nM DYH C12 H20 N2 O7 CNC1C(COC2....
188 2QS1 Kd = 33 nM UB1 C14 H13 Br2 N3 O6 S CC1=CN(C(=....
189 4E0X - KAI C10 H15 N O4 CC(=C)C1CN....
190 3C34 - KAI C10 H15 N O4 CC(=C)C1CN....
191 2F36 - GLU C5 H9 N O4 C(CC(=O)O)....
192 2ZNT Ki = 0.5 nM DYH C12 H20 N2 O7 CNC1C(COC2....
193 2F35 Kd = 3.94 uM UBC C15 H15 N3 O6 c1ccc(c(c1....
194 3GBA Ki = 0.848 nM DYH C12 H20 N2 O7 CNC1C(COC2....
195 3FV2 Ki = 7.7 nM NDZ C11 H17 N O8 C1C2C(C(C(....
196 1VSO Ki = 18980 nM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
197 2QS4 Kd = 38 nM LY5 C16 H24 F2 N2 O4 C1CC2CNC(C....
50% Homology Family (198)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 145 families.
1 4O3B Ki = 0.82 uM GLU C5 H9 N O4 C(CC(=O)O)....
2 3PD8 Ki = 108 nM HA7 C7 H8 N2 O4 C1CNC(c2c1....
3 1P1O Kd = 1.74 uM QUS C5 H7 N3 O5 C(C(C(=O)O....
4 4U22 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
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)C1CN....
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 4ISU Ki = 0.21 mM IKM C12 H14 N2 O6 C1C=CC2C(N....
10 1MXU ic50 = 4 uM BWD C7 H8 Br N3 O4 C1=C(C(=O)....
11 4U4X Kd = 9.8 uM 3C2 C8 H11 N3 O2 S CCN1CNS(=O....
12 1MM7 ic50 = 20 nM QUS C5 H7 N3 O5 C(C(C(=O)O....
13 1XHY Ki = 624 nM KAI C10 H15 N O4 CC(=C)C1CN....
14 1M5C ic50 = 0.5 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
15 2XX9 - 1NF C19 H19 F4 N3 O c1cc(c(cc1....
16 2XXH - 1NG C20 H22 F3 N3 O c1cc(ccc1C....
17 1SYI Ki = 3330 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
18 1MY3 - BWD C7 H8 Br N3 O4 C1=C(C(=O)....
19 3ILU - HFZ C8 H8 F3 N3 O4 S2 c1c(c(cc2c....
20 4N07 Kd = 0.35 uM 2J9 C10 H11 F N2 O2 S c1cc2c(cc1....
21 3IJO - GLU C5 H9 N O4 C(CC(=O)O)....
22 3PMV - 557 C17 H22 F3 N3 O3 S CC(C)S(=O)....
23 3RNN - RNN C16 H28 N2 O4 S2 CC(C)S(=O)....
24 2AL4 - QUS C5 H7 N3 O5 C(C(C(=O)O....
25 4LZ5 - GLU C5 H9 N O4 C(CC(=O)O)....
26 4U4S Kd = 1200 uM 3C1 C8 H11 N3 O2 S CCN1CNS(=O....
27 4G8M Kd = 12.8 nM G8M C7 H11 N O4 C1CC(C1C(C....
28 3H6T - CYZ C14 H16 Cl N3 O4 S2 c1c2c(cc(c....
29 3O6G - O27 C23 H28 F3 N5 O2 S C1CCc2c(c(....
30 1NNP - CE2 C10 H15 N2 O4 CC(C)(C)c1....
31 2XHD - GLU C5 H9 N O4 C(CC(=O)O)....
32 3B7D - CNI C9 H2 N4 O4 C1=C(C(=CC....
33 1P1N Kd = 0.16 uM KAI C10 H15 N O4 CC(=C)C1CN....
34 1M5D ic50 = 9.2 uM BRH C6 H7 Br N2 O4 C(c1c(c(no....
35 4U1Z - KAI C10 H15 N O4 CC(=C)C1CN....
36 3IK6 - GLU C5 H9 N O4 C(CC(=O)O)....
37 2XXI - JAC C18 H18 F3 N3 O2 c1cc(ccc1C....
38 1WVJ Ki = 185 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
39 1P1U - AMQ C7 H10 N2 O4 Cc1c(c(no1....
40 4O3A Ki = 2.57 mM ASP C4 H7 N O4 C(C(C(=O)O....
41 3B6T - QUS C5 H7 N3 O5 C(C(C(=O)O....
42 4Q30 - NWD C7 H8 N4 O6 C1=C(C(=O)....
43 4U23 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
44 4FAT - GLU C5 H9 N O4 C(CC(=O)O)....
45 3H6U - NS3 C18 H28 N4 O4 S2 Cc1cc2c(cc....
46 1NNK ic50 = 3.5 uM CE2 C10 H15 N2 O4 CC(C)(C)c1....
47 3FAT Ki = 22.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
48 1MQG ic50 = 0.52 uM IWD C7 H8 I N3 O4 C1=C(C(=O)....
49 3T9X - GLU C5 H9 N O4 C(CC(=O)O)....
50 1MY2 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
51 3ILT - TRU C8 H8 Cl3 N3 O4 S2 c1c2c(cc(c....
52 3O6I - O26 C20 H29 N5 O2 S CC(C)(C)c1....
53 3BBR - BHY C20 H28 N2 O4 S2 CC(CNS(=O)....
54 3RTW - NWD C7 H8 N4 O6 C1=C(C(=O)....
55 1MQD ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
56 3T93 - GLU C5 H9 N O4 C(CC(=O)O)....
57 3LSF - PZI C6 H10 N2 O2 C1CC(=O)N(....
58 3PMX - 808 C18 H20 F3 N O3 S CC(C)S(=O)....
59 2ANJ - KAI C10 H15 N O4 CC(=C)C1CN....
60 1MS7 ic50 = 0.17 uM SHI C6 H8 N2 O4 c1c(c(no1)....
61 2XX8 - 1NE C17 H18 F3 N3 O CN(C)C(=O)....
62 3R7X ic50 = 0.082 uM QSN C12 H10 N6 O6 S CS(=O)(=O)....
63 3BFT Ki = 323 nM S2P C5 H7 N3 O3 S C(c1c(nsn1....
64 1P1Q Kd = 12.8 uM AMQ C7 H10 N2 O4 Cc1c(c(no1....
65 2AL5 - FWD C7 H8 F N3 O4 C1=C(C(=O)....
66 1M5E ic50 = 20.1 nM AM1 C8 H10 N2 O5 Cc1c(c(no1....
67 3O28 - O28 C19 H21 F3 N4 O2 S C1CCc2c(c(....
68 4IY6 - MQS C15 H17 N3 O CC1CCCN(C1....
69 3BKI ic50 = 7.6 uM FQX C8 H4 N4 O4 c1c2c(cc3c....
70 3LSL - PZI C6 H10 N2 O2 C1CC(=O)N(....
71 2XX7 - 1ND C19 H20 F3 N3 O c1cc(ccc1C....
72 2AIX - U1K C10 H16 N2 O3 S CC(C)(C)c1....
73 1FTM Kd = 24.8 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
74 2GFE - GLU C5 H9 N O4 C(CC(=O)O)....
75 3B6W - GLU C5 H9 N O4 C(CC(=O)O)....
76 3T9U - CNI C9 H2 N4 O4 C1=C(C(=CC....
77 2I3W - GLU C5 H9 N O4 C(CC(=O)O)....
78 3T96 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
79 3O6H - O25 C18 H22 F3 N5 O2 S CCNCc1cn(n....
80 3KFM - KAI C10 H15 N O4 CC(=C)C1CN....
81 2I3V - GLU C5 H9 N O4 C(CC(=O)O)....
82 3KGC - ZK1 C14 H15 F3 N3 O6 P c1c(c(cc2c....
83 3T9H - KAI C10 H15 N O4 CC(=C)C1CN....
84 3PMW - G69 C18 H22 F3 N3 O3 S CC(C)S(=O)....
85 3H6V - NS6 C18 H27 N3 O4 S2 CN1CCN(CC1....
86 3BFU Ki = 531 nM R2P C5 H7 N3 O3 S C(c1c(nsn1....
87 3UA8 ic50 = 14 nM 08W C15 H13 F3 N6 O5 S CNC(=O)c1c....
88 1LBB - KAI C10 H15 N O4 CC(=C)C1CN....
89 4LZ7 - GLU C5 H9 N O4 C(CC(=O)O)....
90 3H03 ic50 = 135 uM UBP C10 H13 N3 O6 C1=CN(C(=O....
91 3M3F - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
92 1FTL ic50 = 998 nM DNQ C8 H2 N4 O6 C1=C(C(=CC....
93 1LB9 - DNQ C8 H2 N4 O6 C1=C(C(=CC....
94 3B6Q - GLU C5 H9 N O4 C(CC(=O)O)....
95 1N0T ic50 = 12.2 uM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
96 3T9V - CNI C9 H2 N4 O4 C1=C(C(=CC....
97 1GR2 - KAI C10 H15 N O4 CC(=C)C1CN....
98 3RN8 - RN8 C22 H16 N2 O4 S2 CCc1c(c(c(....
99 1P1W - AMQ C7 H10 N2 O4 Cc1c(c(no1....
100 3LSX - PZI C6 H10 N2 O2 C1CC(=O)N(....
101 1MQI ic50 = 23.53 nM FWD C7 H8 F N3 O4 C1=C(C(=O)....
102 3O29 - O29 C23 H30 F3 N5 O2 S CN(C)CCNC(....
103 3IL1 - GLU C5 H9 N O4 C(CC(=O)O)....
104 1FTJ ic50 = 821 nM GLU C5 H9 N O4 C(CC(=O)O)....
105 3DP6 - GLU C5 H9 N O4 C(CC(=O)O)....
106 4O3C Ki = 2.57 mM ASP C4 H7 N O4 C(C(C(=O)O....
107 3RTF - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
108 1MM6 ic50 = 20 nM QUS C5 H7 N3 O5 C(C(C(=O)O....
109 3PD9 Ki = 494 nM HA5 C7 H8 N2 O4 C1c2c(onc2....
110 4F3G Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)C1CN....
111 1M5B ic50 = 9.7 nM BN1 C8 H10 N6 O4 Cn1nc(nn1)....
112 4IY5 - GLU C5 H9 N O4 C(CC(=O)O)....
113 4F39 Ki = 3.44 uM KAI C10 H15 N O4 CC(=C)C1CN....
114 3EN3 - KAI C10 H15 N O4 CC(=C)C1CN....
115 2P2A Ki = 0.75 uM MP9 C14 H14 N6 O4 c1ccc(cc1)....
116 1SYH Ki = 393 nM CPW C10 H13 N3 O4 C1CC2=C(C1....
117 3TZA ic50 = 3.4 uM TZG C12 H13 Cl N2 O6 c1c(c(cc(c....
118 3H6W - NS7 C19 H29 N3 O4 S2 Cc1cc2c(cc....
119 1MY4 - IWD C7 H8 I N3 O4 C1=C(C(=O)....
120 4IGT Ki = 40.8 uM 3ZA C9 H16 N2 O6 CN(C(=O)CC....
121 3M3L - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
122 3O2A - O30 C22 H28 F3 N5 O2 S C1CCc2c(c(....
123 4LZ8 - 1YX C19 H27 F N4 O4 S CC(C)S(=O)....
124 1MQJ ic50 = 4.76 uM HWD C7 H9 N3 O4 C1=CN(C(=O....
125 4F1Y Kd = 0.96 uM CNI C9 H2 N4 O4 C1=C(C(=CC....
126 4GXS - 0YS C18 H21 Cl2 N3 O9 c1c(cc(c(c....
127 4U21 - FWF C24 H36 N2 O4 S2 CC(C)S(=O)....
128 4U1O - KAI C10 H15 N O4 CC(=C)C1CN....
129 1FW0 - KAI C10 H15 N O4 CC(=C)C1CN....
130 1LB8 - AMQ C7 H10 N2 O4 Cc1c(c(no1....
131 1LBC - GLU C5 H9 N O4 C(CC(=O)O)....
132 3TDJ - GLU C5 H9 N O4 C(CC(=O)O)....
133 3QXM Ki = 33 nM NDZ C11 H17 N O8 C1C2C(C(C(....
134 1S9T Ki = 253 nM QUS C5 H7 N3 O5 C(C(C(=O)O....
135 4BDR - KAI C10 H15 N O4 CC(=C)C1CN....
136 2XXT - KAI C10 H15 N O4 CC(=C)C1CN....
137 4H8I - 11W C20 H21 N3 O4 c1ccc(cc1)....
138 2XXU - GLU C5 H9 N O4 C(CC(=O)O)....
139 4BDN - GLU C5 H9 N O4 C(CC(=O)O)....
140 4BDQ - CYS C3 H7 N O2 S C(C(C(=O)O....
141 1S50 Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
142 2XXW - GLU C5 H9 N O4 C(CC(=O)O)....
143 1SD3 - SYM C6 H10 N O4 CC(CC(C(=O....
144 2XXV - KAI C10 H15 N O4 CC(=C)C1CN....
145 4BDL - GLU C5 H9 N O4 C(CC(=O)O)....
146 2XXX - GLU C5 H9 N O4 C(CC(=O)O)....
147 2XXR - GLU C5 H9 N O4 C(CC(=O)O)....
148 1S7Y Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
149 1TT1 Ki = 64.6 nM KAI C10 H15 N O4 CC(=C)C1CN....
150 3FAS Ki = 171 nM GLU C5 H9 N O4 C(CC(=O)O)....
151 3LSW - GLU C5 H9 N O4 C(CC(=O)O)....
152 3M3K - GLU C5 H9 N O4 C(CC(=O)O)....
153 4F2O Ki = 0.042 uM QUS C5 H7 N3 O5 C(C(C(=O)O....
154 3DP4 Kd = 43 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
155 4F22 Ki = 30.26 uM KAI C10 H15 N O4 CC(=C)C1CN....
156 4F3B Ki = 1.271 uM GLU C5 H9 N O4 C(CC(=O)O)....
157 4F2Q Ki = 0.042 uM QUS C5 H7 N3 O5 C(C(C(=O)O....
158 3DLN - GLU C5 H9 N O4 C(CC(=O)O)....
159 4F29 Ki = 0.168 uM QUS C5 H7 N3 O5 C(C(C(=O)O....
160 3RT8 - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
161 4F31 Ki = 2.08 uM KAI C10 H15 N O4 CC(=C)C1CN....
162 4MH5 Ki = 7.43 uM GGL C5 H9 N O4 C(CC(=O)O)....
163 4NWC Ki = 1.74 uM 2QE C9 H15 N O6 COC(=O)CCC....
164 3U92 - KAI C10 H15 N O4 CC(=C)C1CN....
165 4E0W - KAI C10 H15 N O4 CC(=C)C1CN....
166 4G8N Kd = 63 nM G8M C7 H11 N O4 C1CC(C1C(C....
167 2V3U Kd = 1 mM DSN C3 H7 N O3 C(C(C(=O)O....
168 1TXF Ki = 57.2 nM GLU C5 H9 N O4 C(CC(=O)O)....
169 3GBB Ki = 126 nM MS8 C11 H17 N O6 C1CC2C(CC(....
170 2QS3 Kd = 1.4 nM UBE C20 H19 N3 O6 S CC1=CN(C(=....
171 2OJT - UBA C14 H15 N3 O6 S CC1=CN(C(=....
172 3C33 - KAI C10 H15 N O4 CC(=C)C1CN....
173 2WKY Ki = 2.57 nM IBC C11 H14 N2 O4 C1CC=C(c2c....
174 2PBW Ki = 5.56 nM DOQ C15 H21 N O6 CC(C=CC=C(....
175 3FVG Ki = 128 nM MS8 C11 H17 N O6 C1CC2C(CC(....
176 3C36 - KAI C10 H15 N O4 CC(=C)C1CN....
177 2F34 Kd = 0.13 uM UBA C14 H15 N3 O6 S CC1=CN(C(=....
178 3C32 - KAI C10 H15 N O4 CC(=C)C1CN....
179 2QS2 Kd = 186 nM UBF C13 H12 Br N3 O6 S c1csc(c1CN....
180 3FVN Ki = 169 nM 9DX C11 H17 N O7 C1COC2CC(O....
181 1YCJ - GLU C5 H9 N O4 C(CC(=O)O)....
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 C1C(COC2C1....
184 2ZNU Ki = 7.7 nM NDZ C11 H17 N O8 C1C2C(C(C(....
185 3S2V Ki = 157 nM 3HU C15 H13 N3 O6 S2 c1csc(c1CN....
186 3C35 - KAI C10 H15 N O4 CC(=C)C1CN....
187 3C31 - KAI C10 H15 N O4 CC(=C)C1CN....
188 3FV1 Ki = 0.5 nM DYH C12 H20 N2 O7 CNC1C(COC2....
189 2QS1 Kd = 33 nM UB1 C14 H13 Br2 N3 O6 S CC1=CN(C(=....
190 4E0X - KAI C10 H15 N O4 CC(=C)C1CN....
191 3C34 - KAI C10 H15 N O4 CC(=C)C1CN....
192 2F36 - GLU C5 H9 N O4 C(CC(=O)O)....
193 2ZNT Ki = 0.5 nM DYH C12 H20 N2 O7 CNC1C(COC2....
194 2F35 Kd = 3.94 uM UBC C15 H15 N3 O6 c1ccc(c(c1....
195 3GBA Ki = 0.848 nM DYH C12 H20 N2 O7 CNC1C(COC2....
196 3FV2 Ki = 7.7 nM NDZ C11 H17 N O8 C1C2C(C(C(....
197 1VSO Ki = 18980 nM AT1 C11 H19 N2 O7 P CC(C)(C)c1....
198 2QS4 Kd = 38 nM LY5 C16 H24 F2 N2 O4 C1CC2CNC(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: UBC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 UBC 1 1
2 UBP 0.492754 0.898305
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FV1; Ligand: DYH; Similar sites found: 78
This union binding pocket(no: 1) in the query (biounit: 3fv1.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4DZ1 DAL 0.00004585 0.55679
2 2VHA GLU 0.00004453 0.52966
3 4G4P GLN 0.0002406 0.51353
4 2YJP CYS 0.0004956 0.49975
5 4POW OP1 0.00003022 0.49762
6 1XT8 CYS 0.0005802 0.49601
7 2Q2A ARG 0.0002304 0.49522
8 1WDN GLN 0.0004202 0.49444
9 2YJP CYS 0.0006175 0.49443
10 2Q2A ARG 0.0002437 0.49405
11 2YJP CYS 0.0006398 0.49378
12 2Q2A ARG 0.0002676 0.49208
13 4POW OP1 0.00005453 0.49172
14 3NOJ PYR 0.001623 0.48851
15 3NOJ PYR 0.001623 0.48851
16 2Q2A ARG 0.0003857 0.48443
17 2Q89 6CS 0.0006933 0.48342
18 3N26 ARG 0.002906 0.44683
19 4MUV PCG 0.002279 0.44262
20 2YLN CYS 0.006914 0.44229
21 4AG5 ADP 0.007043 0.43962
22 3VV5 SLZ 0.004099 0.43944
23 4AG5 ADP 0.007217 0.43909
24 2DVZ GLU 0.004236 0.43873
25 2DVZ GLU 0.004236 0.43873
26 4AMV F6R 0.002947 0.43314
27 2F5X ASP 0.01039 0.42996
28 2W58 ADP 0.01064 0.42637
29 1GXU 2HP 0.01264 0.42635
30 3JUC PCA 0.007737 0.42543
31 2Y7I ARG 0.007957 0.42517
32 3W5J GDP 0.01534 0.42332
33 1RVV INI 0.01097 0.42256
34 1I1Q TRP 0.01158 0.42136
35 1I1Q TRP 0.01158 0.42136
36 3JQF AX2 0.006699 0.42062
37 3ENV ABF 0.008124 0.42051
38 3BY9 SIN 0.02036 0.41969
39 2POC BG6 0.00706 0.41943
40 2AWN ADP 0.02303 0.41846
41 2B6N ALA PRO THR 0.009049 0.41785
42 3IT7 TLA 0.03231 0.41755
43 3TK1 GDP 0.01676 0.41753
44 4AMV F6R 0.006541 0.41715
45 3HUN ZZ7 0.01839 0.41697
46 3VV5 SLZ 0.01482 0.41591
47 3BY9 SIN 0.02132 0.41515
48 2VPN 4CS 0.02176 0.41443
49 3A4M ADP 0.01926 0.41437
50 2VPN 4CS 0.02315 0.41293
51 4K7O EKZ 0.02591 0.41213
52 4NYT PC 0.005365 0.41181
53 4C0R GDS 0.002109 0.41115
54 4C0R GDS 0.001565 0.40878
55 4C0R GDS 0.001565 0.40878
56 1II5 GLU 0.00003071 0.4087
57 3W6G FLC 0.02486 0.40854
58 1WZU MLT 0.0251 0.40833
59 2B99 RDL 0.01521 0.4073
60 4TXE 38F 0.01093 0.40683
61 3BU1 HSM 0.02791 0.40681
62 3W6G FLC 0.02911 0.40672
63 2VN9 GVD 0.02712 0.40656
64 3LRE ADP 0.03492 0.40655
65 4KQ6 DLZ 0.01918 0.40617
66 1P9B GDP 0.01003 0.40508
67 1WDI CIT 0.03256 0.40399
68 1MAI I3P 0.02601 0.40369
69 4UOX PLP 0.01846 0.40321
70 1YKJ FAD 0.02466 0.40308
71 1YKJ PHB 0.02466 0.40308
72 3LRE ADP 0.03979 0.40267
73 3LRE ADP 0.03979 0.40267
74 3MCT 3MC 0.03261 0.40233
75 3OF1 CMP 0.02356 0.4017
76 1K4M CIT 0.04102 0.40158
77 1G6H ADP 0.04341 0.40018
78 2FGQ MLT 0.02836 0.40001
Pocket No.: 2; Query (leader) PDB : 3FV1; Ligand: DYH; Similar sites found: 83
This union binding pocket(no: 2) in the query (biounit: 3fv1.bio3) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4DZ1 DAL 0.00005251 0.55331
2 2VHA GLU 0.00005727 0.52438
3 4G4P GLN 0.0001506 0.52411
4 4POW OP1 0.00002748 0.49934
5 1WDN GLN 0.0003547 0.49817
6 2YJP CYS 0.0005306 0.49811
7 1XT8 CYS 0.0005436 0.49759
8 2Q2A ARG 0.0002328 0.495
9 2YJP CYS 0.0006357 0.49393
10 2YJP CYS 0.0006337 0.49385
11 2Q2A ARG 0.000257 0.49294
12 4POW OP1 0.00005151 0.49277
13 2Q2A ARG 0.0002769 0.49137
14 3NOJ PYR 0.001512 0.49078
15 3NOJ PYR 0.001512 0.49078
16 2Q89 6CS 0.000614 0.48609
17 2Q2A ARG 0.0004144 0.48292
18 3N26 ARG 0.002455 0.45045
19 4AG5 ADP 0.005741 0.44431
20 3VV5 SLZ 0.003915 0.44043
21 2YLN CYS 0.007479 0.44027
22 2DVZ GLU 0.004127 0.43929
23 2DVZ GLU 0.004127 0.43929
24 4MUV PCG 0.003209 0.43561
25 2F5X ASP 0.008779 0.434
26 4AMV F6R 0.003441 0.43003
27 1GXU 2HP 0.01289 0.42582
28 2W58 ADP 0.0117 0.4237
29 2Y7I ARG 0.008765 0.42308
30 3W5J GDP 0.01556 0.42295
31 3JUC PCA 0.008638 0.42289
32 1RVV INI 0.01195 0.42067
33 2B6N ALA PRO THR 0.007692 0.42042
34 3ENV ABF 0.008179 0.42037
35 1I1Q TRP 0.01246 0.41974
36 1I1Q TRP 0.01246 0.41974
37 1QHH ATP 0.008609 0.41929
38 3BY9 SIN 0.02062 0.41927
39 4C0R GDS 0.001332 0.41914
40 3EB9 FLC 0.008714 0.41904
41 2POC BG6 0.007347 0.41861
42 3TK1 GDP 0.01604 0.41855
43 2AWN ADP 0.02328 0.4178
44 2IOR ADP 0.01668 0.41765
45 3HUN ZZ7 0.01796 0.41746
46 2VPN 4CS 0.01985 0.41647
47 3BY9 SIN 0.02025 0.41626
48 3IT7 TLA 0.03317 0.41622
49 4C0R GDS 0.00105 0.41613
50 4C0R GDS 0.00105 0.41613
51 1TUU AMP 0.01501 0.41562
52 3A4M ADP 0.01863 0.41512
53 2VPN 4CS 0.02138 0.41469
54 3VV5 SLZ 0.01584 0.41443
55 4NYT PC 0.005546 0.41405
56 1WDI CIT 0.02057 0.41391
57 4AMV F6R 0.007717 0.41383
58 2F5X ASP 0.02064 0.41279
59 3W6G FLC 0.02122 0.41216
60 4K7O EKZ 0.026 0.41181
61 1UAS GLA 0.01946 0.40985
62 1II5 GLU 0.0000262 0.40924
63 3LRE ADP 0.03146 0.40907
64 2B99 RDL 0.01403 0.40901
65 1B09 PC 0.02228 0.40834
66 1S20 TLA 0.04924 0.40785
67 4KQ6 DLZ 0.01809 0.40744
68 3W6G FLC 0.02832 0.40734
69 3PDB OAA 0.02457 0.40573
70 4UOX PLP 0.01685 0.40515
71 3LRE ADP 0.03716 0.40455
72 3LRE ADP 0.03716 0.40455
73 1YKJ FAD 0.02485 0.40293
74 1YKJ PHB 0.02485 0.40293
75 1MAI I3P 0.02635 0.40291
76 4TXE 38F 0.01333 0.40283
77 3MCT 3MC 0.03204 0.40273
78 4KQ6 DLZ 0.01945 0.40211
79 2DPY ADP 0.03294 0.4021
80 1XP8 AGS 0.02761 0.40207
81 4CP8 MLI 0.03422 0.40203
82 1K4M CIT 0.0406 0.402
83 3OF1 CMP 0.02462 0.40075
Pocket No.: 3; Query (leader) PDB : 3FV1; Ligand: DYH; Similar sites found: 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 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
Pocket No.: 4; Query (leader) PDB : 3FV1; Ligand: DYH; Similar sites found: 83
This union binding pocket(no: 4) in the query (biounit: 3fv1.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 4DZ1 DAL 0.00005251 0.55331
2 2VHA GLU 0.00005727 0.52438
3 4G4P GLN 0.0001506 0.52411
4 4POW OP1 0.00002748 0.49934
5 1WDN GLN 0.0003547 0.49817
6 2YJP CYS 0.0005306 0.49811
7 1XT8 CYS 0.0005436 0.49759
8 2Q2A ARG 0.0002328 0.495
9 2YJP CYS 0.0006357 0.49393
10 2YJP CYS 0.0006337 0.49385
11 2Q2A ARG 0.000257 0.49294
12 4POW OP1 0.00005151 0.49277
13 2Q2A ARG 0.0002769 0.49137
14 3NOJ PYR 0.001512 0.49078
15 3NOJ PYR 0.001512 0.49078
16 2Q89 6CS 0.000614 0.48609
17 2Q2A ARG 0.0004144 0.48292
18 3N26 ARG 0.002455 0.45045
19 4AG5 ADP 0.005741 0.44431
20 3VV5 SLZ 0.003915 0.44043
21 2YLN CYS 0.007479 0.44027
22 2DVZ GLU 0.004127 0.43929
23 2DVZ GLU 0.004127 0.43929
24 4MUV PCG 0.003209 0.43561
25 2F5X ASP 0.008779 0.434
26 4AMV F6R 0.003441 0.43003
27 1GXU 2HP 0.01289 0.42582
28 2W58 ADP 0.0117 0.4237
29 2Y7I ARG 0.008765 0.42308
30 3W5J GDP 0.01556 0.42295
31 3JUC PCA 0.008638 0.42289
32 1RVV INI 0.01195 0.42067
33 2B6N ALA PRO THR 0.007692 0.42042
34 3ENV ABF 0.008179 0.42037
35 1I1Q TRP 0.01246 0.41974
36 1I1Q TRP 0.01246 0.41974
37 1QHH ATP 0.008609 0.41929
38 3BY9 SIN 0.02062 0.41927
39 4C0R GDS 0.001332 0.41914
40 3EB9 FLC 0.008714 0.41904
41 2POC BG6 0.007347 0.41861
42 3TK1 GDP 0.01604 0.41855
43 2AWN ADP 0.02328 0.4178
44 2IOR ADP 0.01668 0.41765
45 3HUN ZZ7 0.01796 0.41746
46 2VPN 4CS 0.01985 0.41647
47 3BY9 SIN 0.02025 0.41626
48 3IT7 TLA 0.03317 0.41622
49 4C0R GDS 0.00105 0.41613
50 4C0R GDS 0.00105 0.41613
51 1TUU AMP 0.01501 0.41562
52 3A4M ADP 0.01863 0.41512
53 2VPN 4CS 0.02138 0.41469
54 3VV5 SLZ 0.01584 0.41443
55 4NYT PC 0.005546 0.41405
56 1WDI CIT 0.02057 0.41391
57 4AMV F6R 0.007717 0.41383
58 2F5X ASP 0.02064 0.41279
59 3W6G FLC 0.02122 0.41216
60 4K7O EKZ 0.026 0.41181
61 1UAS GLA 0.01946 0.40985
62 1II5 GLU 0.0000262 0.40924
63 3LRE ADP 0.03146 0.40907
64 2B99 RDL 0.01403 0.40901
65 1B09 PC 0.02228 0.40834
66 1S20 TLA 0.04924 0.40785
67 4KQ6 DLZ 0.01809 0.40744
68 3W6G FLC 0.02832 0.40734
69 3PDB OAA 0.02457 0.40573
70 4UOX PLP 0.01685 0.40515
71 3LRE ADP 0.03716 0.40455
72 3LRE ADP 0.03716 0.40455
73 1YKJ FAD 0.02485 0.40293
74 1YKJ PHB 0.02485 0.40293
75 1MAI I3P 0.02635 0.40291
76 4TXE 38F 0.01333 0.40283
77 3MCT 3MC 0.03204 0.40273
78 4KQ6 DLZ 0.01945 0.40211
79 2DPY ADP 0.03294 0.4021
80 1XP8 AGS 0.02761 0.40207
81 4CP8 MLI 0.03422 0.40203
82 1K4M CIT 0.0406 0.402
83 3OF1 CMP 0.02462 0.40075
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