Receptor
PDB id Resolution Class Description Source Keywords
1MY2 1.8 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL TITRATION EXPERIMENT (AMPA COMPLEX CONTROL) RATTUS NORVEGICUS IONOTROPIC GLUTAMATE RECEPTOR GLUR2 LIGAND BINDING CORE SPARTIAL AGONIST BROMO-WILLARDIINE AMPA CRYSTAL TITRATIONMEMBRANE PROTEIN
Ref.: PROBING THE FUNCTION, CONFORMATIONAL PLASTICITY, AN DIMER-DIMER CONTACTS OF THE GLUR2 LIGAND-BINDING CO STUDIES OF 5-SUBSTITUTED WILLARDIINES AND GLUR2 S1S CRYSTAL. BIOCHEMISTRY V. 42 5201 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMQ A:602;
B:603;
C:601;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
186.165 C7 H10 N2 O4 Cc1c(...
ZN A:701;
B:702;
B:704;
C:703;
C:705;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M5B 1.85 Å NON-ENZYME: SIGNAL_HORMONE X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN WITH 2-ME-TET-AMPA AT 1.85 A RESOLUTION. RATTUS NORVEGICUS IONOTROPIC GLUTAMATE RECEPTOR GLUR2 LIGAND BINDING CORE ACOMPLEX MEMBRANE PROTEIN
Ref.: STRUCTURAL BASIS FOR AMPA RECEPTOR ACTIVATION AND L SELECTIVITY: CRYSTAL STRUCTURES OF FIVE AGONIST COM WITH THE GLUR2 LIGAND-BINDING CORE J.MOL.BIOL. V. 322 93 2002
Members (150)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 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....
70% Homology Family (227)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 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 4MH5 Ki = 7.43 uM GGL C5 H9 N O4 C(CC(=O)O)....
189 3U92 - KAI C10 H15 N O4 CC(=C)[C@H....
190 4E0W - KAI C10 H15 N O4 CC(=C)[C@H....
191 5O4F Ki = 22 nM 8VE C8 H11 N3 O4 CN1[C@H]2C....
192 4NWC Ki = 1.74 uM 2QE C9 H15 N O6 COC(=O)CC[....
193 4G8N Kd = 63 nM G8M C7 H11 N O4 C1C[C@@H](....
194 5EHM - OEM C5 H9 N O4 CN[C@H](CC....
195 5EHS - 2JJ C5 H12 N O5 P C(C[C@H](C....
196 5DTB - GLU C5 H9 N O4 C(CC(=O)O)....
197 4F2O Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
198 3DP4 Kd = 43 nM AMQ C7 H10 N2 O4 Cc1c(c(no1....
199 4F22 Ki = 30.26 uM KAI C10 H15 N O4 CC(=C)[C@H....
200 4F3B Ki = 1.271 uM GLU C5 H9 N O4 C(CC(=O)O)....
201 4F2Q Ki = 0.042 uM QUS C5 H7 N3 O5 C([C@@H](C....
202 3RT8 - CWD C7 H8 Cl N3 O4 C1=C(C(=O)....
203 3M3F - P99 C16 H16 F2 N2 O4 S2 c1ccc(cc1)....
204 3LSX - PZI C6 H10 N2 O2 C1CC(=O)N(....
205 3LSW - GLU C5 H9 N O4 C(CC(=O)O)....
206 4H8I - 11W C20 H21 N3 O4 c1ccc(cc1)....
207 4BDQ - CYS C3 H7 N O2 S C([C@@H](C....
208 2XXW - GLU C5 H9 N O4 C(CC(=O)O)....
209 1SD3 - SYM C6 H10 N O4 C[C@H](C[C....
210 2XXX - GLU C5 H9 N O4 C(CC(=O)O)....
211 2XXR - GLU C5 H9 N O4 C(CC(=O)O)....
212 3QXM Ki = 33 nM NDZ C11 H17 N O8 C1[C@@H]2[....
213 1S9T Ki = 253 nM QUS C5 H7 N3 O5 C([C@@H](C....
214 4BDR - KAI C10 H15 N O4 CC(=C)[C@H....
215 2XXT - KAI C10 H15 N O4 CC(=C)[C@H....
216 5CMM - SYM C6 H10 N O4 C[C@H](C[C....
217 2XXU - GLU C5 H9 N O4 C(CC(=O)O)....
218 4BDN - GLU C5 H9 N O4 C(CC(=O)O)....
219 1S50 Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
220 2XXV - KAI C10 H15 N O4 CC(=C)[C@H....
221 5CMK ic50 = 30 nM LY5 C16 H24 F2 N2 O4 C1C[C@H]2C....
222 4BDL - GLU C5 H9 N O4 C(CC(=O)O)....
223 1S7Y Ki = 1.4 uM GLU C5 H9 N O4 C(CC(=O)O)....
224 1TT1 Ki = 64.6 nM KAI C10 H15 N O4 CC(=C)[C@H....
225 5IKB Kd = 1.9 nM KAI C10 H15 N O4 CC(=C)[C@H....
226 5DT6 - GLU C5 H9 N O4 C(CC(=O)O)....
227 5ICT - GLU C5 H9 N O4 C(CC(=O)O)....
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: AMQ; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 AMQ 1 1
2 AM1 0.6 0.843137
3 BRH 0.458333 0.854545
4 BN1 0.457627 0.75
5 SHI 0.408163 0.938776
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M5B; Ligand: BN1; Similar sites found: 46
This union binding pocket(no: 1) in the query (biounit: 1m5b.bio1) has 179 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HDA SER MET PRO GLU LEU SER PRO VAL LEU 0.02838 0.46063 None
2 4IPH 1FJ 0.02771 0.41661 None
3 2VDF OCT 0.01738 0.43264 1.58103
4 4DO1 ANN 0.04713 0.44062 2.28137
5 4IYO NAK 0.02452 0.43513 2.6616
6 2POC BG6 0.03813 0.43062 2.6616
7 3Q3H UDP 0.03662 0.43827 3.04183
8 3TDC 0EU 0.001753 0.54347 3.42205
9 1TV5 N8E 0.02648 0.46483 3.42205
10 3GFS FMN 0.04914 0.42156 3.44828
11 1G27 BB1 0.03866 0.42437 3.57143
12 1A99 PUT 0.01872 0.46307 3.80228
13 3JU6 ANP 0.02525 0.45557 3.80228
14 5KJW 53C 0.04962 0.43773 4.18251
15 3TAY MN0 0.04158 0.40811 4.29448
16 1I1E DM2 0.02638 0.45443 4.56274
17 1PCA CIT 0.01624 0.44956 4.94297
18 3BWR GAL NGA SIA GAL BGC 0.009094 0.48211 5.32319
19 5JBE MAL 0.01729 0.45816 5.32319
20 1JJE BYS 0.04855 0.4139 5.40541
21 4X17 SIA SIA 0.009909 0.47522 5.70342
22 4X17 SIA 0.03077 0.43579 5.70342
23 1ZOY UQ1 0.04009 0.44483 5.82524
24 1SQL GUN 0.04218 0.43906 6.16438
25 1GPM AMP 0.02766 0.44854 6.46388
26 3JUC PCA 0.01911 0.45692 7.18954
27 3WMX THR 0.0223 0.46188 7.60456
28 2G30 ALA ALA PHE 0.00935 0.43145 7.75194
29 3VRY B43 0.03091 0.41003 7.98479
30 5AA4 6X4 0.000004372 0.56961 9.88593
31 3JQ3 ADP 0.03109 0.44238 12.1673
32 4F8L AES 0.004508 0.51296 12.4138
33 4QA8 PJZ 0.03055 0.41685 13.9738
34 3JQG AX6 0.03837 0.44458 18.6312
35 2Q89 6CS 0.007112 0.48362 19.4553
36 4G4P GLN 0.0054 0.4956 20.9016
37 2YJP CYS 0.003237 0.50964 24.3346
38 2VHA GLU 0.0002597 0.55484 27.3764
39 5L9O GOP 0.001586 0.48597 36.8821
40 1HSL HIS 0.0003321 0.57067 38.2353
41 3VV5 SLZ 0.02699 0.44592 39.2308
42 4POW OP1 0.00004726 0.56195 39.5437
43 2Q2A ARG 0.001748 0.50875 39.924
44 4DZ1 DAL 0.00002406 0.64064 41.3127
45 4YMX ARG 0.02762 0.44534 41.5385
46 4ZV1 ARG 0.00804 0.48051 45.0644
47 1WDN GLN 0.001881 0.51722 50
Pocket No.: 2; Query (leader) PDB : 1M5B; Ligand: BN1; 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: 1m5b.bio1) has 174 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1M5B; Ligand: BN1; Similar sites found: 640
This union binding pocket(no: 3) in the query (biounit: 1m5b.bio2) has 210 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.0008833 0.53853 None
2 2YLD CMO 0.002032 0.48473 None
3 1UW1 ADP 0.00318 0.46882 None
4 3PMD 11A 0.001524 0.46697 None
5 1UO5 PIH 0.02354 0.46389 None
6 4OHB 5HM 0.0008328 0.46341 None
7 1YRX FMN 0.001758 0.45452 None
8 1ULE GLA GAL NAG 0.01421 0.45418 None
9 1ECM TSA 0.004388 0.45136 None
10 3KPE TM3 0.009496 0.45119 None
11 2ZSC BTN 0.004449 0.43751 None
12 2BOI MFU 0.01119 0.43734 None
13 2AHR NAP 0.0001882 0.43727 None
14 3CR4 PNT 0.009409 0.43179 None
15 1OGD RIP 0.01509 0.43119 None
16 3O55 FAD 0.0009919 0.42968 None
17 2PMP C5P 0.02946 0.40269 None
18 2ASF CIT 0.009367 0.40144 None
19 3UST FAD 0.002497 0.4438 0.760456
20 4WX0 HXD 0.003031 0.44034 0.760456
21 2ZO9 MLI 0.02077 0.41451 0.760456
22 1QDS PGA 0.007537 0.43608 0.796813
23 1AX2 NDG GAL 0.01011 0.4394 0.83682
24 4HZO COA 0.0001285 0.52859 1.14068
25 1AUX AGS 0.001534 0.44823 1.14068
26 1VL8 NAP 0.0002413 0.42792 1.14068
27 3WQM B29 0.002476 0.41905 1.14068
28 1B74 DGN 0.01023 0.46188 1.1811
29 4JCA CIT 0.001644 0.52293 1.1976
30 4FFS BIG 0.005802 0.40891 1.25523
31 2OFD NGA 0.005855 0.46172 1.40845
32 2OFE NAG 0.0106 0.44879 1.40845
33 4U9W SER GLY ARG GLY LYS NH2 0.004856 0.46279 1.44928
34 4U9W COA 0.002662 0.43862 1.44928
35 1POC GEL 0.004952 0.42779 1.49254
36 4M51 BEZ 0.0001245 0.5644 1.52091
37 1Q11 TYE 0.004137 0.45771 1.52091
38 2QCX PF1 0.008255 0.4487 1.52091
39 3K3G MMU 0.01117 0.43979 1.52091
40 3SJU NDP 0.0008428 0.41708 1.52091
41 1CKM GTP 0.01219 0.40575 1.52091
42 4BX7 B4F 0.003051 0.41011 1.5625
43 4IXW IXW 0.001087 0.47906 1.5748
44 3TKA CTN 0.0002392 0.59649 1.90114
45 2EJU SAH 0.0001235 0.48699 1.90114
46 4USS GSH 0.003174 0.46313 1.90114
47 2FGQ MLT 0.006927 0.45807 1.90114
48 2YFT DQR 0.001802 0.44963 1.90114
49 1FP2 SAH 0.004548 0.4371 1.90114
50 1FP2 HMO 0.003684 0.43685 1.90114
51 3HB5 E2B 0.0009336 0.43389 1.90114
52 1A27 EST 0.006773 0.42596 1.90114
53 2Q1W NAD 0.000456 0.42247 1.90114
54 2YB9 HA0 0.0007253 0.42195 1.90114
55 3TKA SAM 0.004689 0.4184 1.90114
56 5XHA FRU FRU 0.03491 0.40625 1.90114
57 1A27 NAP 0.002818 0.40331 1.90114
58 1M9H NAD 0.004387 0.40219 1.90114
59 1FS5 TLA 0.005203 0.40102 1.90114
60 3A2Y TS5 0.001976 0.44381 2.03046
61 4KGM ATP 0.003749 0.44498 2.04082
62 4JEJ 1GP 0.02273 0.41097 2.04918
63 4JP3 CIT 0.000138 0.50701 2.09205
64 3IBH GSH 0.0004334 0.46127 2.14592
65 4UAL 3FV 0.001772 0.44571 2.14797
66 1G8S MET 0.01882 0.43625 2.17391
67 3QP4 HL0 0.004593 0.43291 2.1978
68 1VE3 SAM 0.006324 0.42003 2.20264
69 1S8F GDP 0.002501 0.41302 2.25989
70 4KCT PYR 0.0006706 0.48864 2.28137
71 2P69 PLP 0.003496 0.46682 2.28137
72 4J7H TLO 0.0005772 0.45244 2.28137
73 1I2L DCS 0.0008107 0.45087 2.28137
74 2CE7 ADP 0.002658 0.44694 2.28137
75 3ZUY TCH 0.005199 0.44327 2.28137
76 4KCT FDP 0.004437 0.44182 2.28137
77 4EPL JAI 0.003814 0.43623 2.28137
78 3DG6 MUC 0.004877 0.43582 2.28137
79 3FC2 IBI 0.0002742 0.43531 2.28137
80 1Z4V DAN 0.008357 0.42989 2.28137
81 3B20 NAD 0.001067 0.42859 2.28137
82 1XVA SAM 0.003333 0.42737 2.28137
83 4FWE FAD 0.00005698 0.41798 2.28137
84 4J7H TRH 0.006334 0.41668 2.28137
85 1VJO PLP 0.01168 0.4162 2.28137
86 1NJR XYL 0.002249 0.41175 2.28137
87 2D2I NAP 0.004583 0.40967 2.28137
88 2I3G NAP 0.001693 0.40514 2.28137
89 3B1J NAD 0.002676 0.40402 2.28137
90 2CJE DUN 0.0153 0.40196 2.28137
91 1HK8 DGT 0.02411 0.40007 2.28137
92 3V1V GST 0.001013 0.45545 2.30947
93 2Q2V NAD 0.0007831 0.41267 2.35294
94 3QXG TLA 0.004714 0.4216 2.46914
95 2YGO PCF 0.00083 0.423 2.65957
96 1QZZ SAM 0.0008338 0.46817 2.6616
97 4WBD ADP 0.006517 0.46559 2.6616
98 4WBD CIT 0.01044 0.4614 2.6616
99 3L24 GOA 0.01505 0.4596 2.6616
100 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01199 0.45815 2.6616
101 2YPO PHE 0.00005866 0.45648 2.6616
102 3KO8 NAD 0.0000459 0.45279 2.6616
103 2P4Q FLC 0.01116 0.44767 2.6616
104 1FBL HTA 0.005327 0.4428 2.6616
105 1SQ5 PAU 0.008779 0.44231 2.6616
106 3DER ALA LYS 0.001115 0.44175 2.6616
107 3R6K FUC GAL GLA 0.02141 0.43875 2.6616
108 2XCG XCG 0.0002287 0.4378 2.6616
109 3I51 45C 0.0056 0.43743 2.6616
110 1QPB TPP 0.0004912 0.43677 2.6616
111 2I7C AAT 0.0001434 0.43466 2.6616
112 2CJH AKG 0.004249 0.4343 2.6616
113 4NE2 ADP 0.0001569 0.4335 2.6616
114 1WNG SAH 0.002534 0.43193 2.6616
115 4OJ8 2TQ 0.001696 0.43142 2.6616
116 1H65 GDP 0.002247 0.43036 2.6616
117 5EQU AKG 0.03957 0.43009 2.6616
118 4NE2 SH2 0.0001905 0.42522 2.6616
119 4DEC UDP 0.001191 0.42385 2.6616
120 4DEC 3PG 0.001191 0.42385 2.6616
121 2WK1 SAH 0.003498 0.42316 2.6616
122 4OJ8 AKG 0.004514 0.42232 2.6616
123 1I36 NAP 0.002686 0.42089 2.6616
124 1QPB PYM 0.002432 0.41343 2.6616
125 1SQ5 ADP 0.02373 0.41015 2.6616
126 2J5S KTA 0.01168 0.40955 2.6616
127 2YHW BM3 0.002897 0.40292 2.6616
128 2CFU 1DB 0.01238 0.40258 2.6616
129 1N9L FMN 0.0005757 0.46082 2.75229
130 2Q37 3AL 0.00068 0.50128 2.76243
131 1MQ0 BRD 0.007391 0.42819 2.85714
132 2E2R 2OH 0.0008765 0.40866 2.86885
133 4M4Q 21A 0.0007677 0.43687 2.90456
134 4GO7 THR 0.006134 0.44007 3
135 1RYI GOA 0.001302 0.547 3.04183
136 2Q3M MLA 0.0008035 0.53044 3.04183
137 4B9E FAH 0.00141 0.49999 3.04183
138 3I8P 840 0.0003107 0.481 3.04183
139 1PEA ACM 0.009113 0.46457 3.04183
140 2FOI JPA 0.001815 0.4636 3.04183
141 1KYQ NAD 0.001007 0.45131 3.04183
142 1LL2 UPG 0.0009507 0.44434 3.04183
143 3B9Z CO2 0.01333 0.4438 3.04183
144 3T1A 5MA 0.001637 0.44304 3.04183
145 2IXB NAD 0.0001961 0.43671 3.04183
146 2QJN KDG 0.005143 0.43485 3.04183
147 3CQ5 PMP 0.0108 0.43343 3.04183
148 3ZF8 GDP 0.00891 0.43284 3.04183
149 3V91 UPG 0.00263 0.42445 3.04183
150 3S6T OAN 0.006407 0.4233 3.04183
151 4E13 NAD 0.003901 0.42139 3.04183
152 1FX8 BOG 0.008667 0.41801 3.04183
153 3DX5 DHB 0.01961 0.41753 3.04183
154 3IPQ 965 0.001067 0.41665 3.04183
155 1F3L SAH 0.005849 0.41173 3.04183
156 1V9N NDP 0.001255 0.4091 3.04183
157 1ONX ASP 0.003669 0.40742 3.04183
158 1RYI FAD 0.0002479 0.40212 3.04183
159 5CSM TRP 0.005406 0.45224 3.125
160 3WCS MAN NAG 0.0008147 0.4909 3.14961
161 3WCS MAN NAG GAL 0.0005439 0.48685 3.14961
162 2QTR NXX 0.0001386 0.44138 3.1746
163 3SJ7 NDP 0.002233 0.40913 3.1746
164 3GX0 GDS 0.01254 0.40529 3.25581
165 2QQ0 ANP 0.001041 0.41423 3.26087
166 2QQ0 ADP 0.001141 0.41301 3.26087
167 2QQ0 TMP 0.001141 0.41301 3.26087
168 2HNK SAH 0.001579 0.43979 3.34728
169 3RK0 AMP 0.01168 0.42357 3.37553
170 1DXY COI 0.0008091 0.53027 3.42205
171 2HFK E4H 0.0006949 0.49415 3.42205
172 2W8Q SIN 0.002951 0.48341 3.42205
173 4C2G ALA ALA ALA ALA 0.001611 0.47126 3.42205
174 3SHR CMP 0.001308 0.46991 3.42205
175 3QP6 HL6 0.001926 0.45285 3.42205
176 2JC9 ADN 0.005694 0.45118 3.42205
177 3L6R MLI 0.01254 0.45085 3.42205
178 2Q09 DI6 0.004777 0.44967 3.42205
179 2F2U M77 0.004176 0.4475 3.42205
180 1E2S CSN 0.00443 0.43758 3.42205
181 3TFC PEP 0.01127 0.43719 3.42205
182 2R42 FPS 0.00185 0.43716 3.42205
183 1DXY NAD 0.000624 0.43328 3.42205
184 2WIC GNP 0.002142 0.42282 3.42205
185 1TV5 A26 0.003567 0.4196 3.42205
186 2PP3 LGT 0.02121 0.40878 3.42205
187 3E8N VRA 0.0002303 0.40519 3.42205
188 3E8N ATP 0.0002303 0.40519 3.42205
189 4MOB ADP 0.0252 0.4008 3.42205
190 1EB9 HBA 0.003276 0.44752 3.43511
191 3TN7 NJP 0.001379 0.41045 3.50195
192 1B55 4IP 0.001091 0.46325 3.5503
193 3EJ0 11X 0.01532 0.4332 3.57143
194 1DAK ADP 0.0001279 0.41662 3.57143
195 1DAK DPU 0.0001279 0.41662 3.57143
196 1LYX PGA 0.001943 0.45268 3.62903
197 1L3I SAH 0.005126 0.40253 3.64583
198 1C1L GAL BGC 0.007104 0.46365 3.64964
199 1T0I FMN 0.009723 0.41269 3.66492
200 2WMO GTP 0.009953 0.42273 3.68421
201 3O7B SAH 0.001402 0.44569 3.68852
202 1Q6O LG6 0.001247 0.45621 3.7037
203 1JH7 UVC 0.01161 0.4415 3.7037
204 3R51 MMA 0.008037 0.47482 3.75
205 3GM5 CIT 0.02278 0.43206 3.77358
206 2ZWS PLM 0.0002181 0.58699 3.80228
207 1H16 DTL 0.0004597 0.54392 3.80228
208 2EB5 OXL 0.0005084 0.51482 3.80228
209 1RZM E4P 0.002083 0.49123 3.80228
210 2OWZ CIT 0.002619 0.47922 3.80228
211 1AUA BOG 0.001531 0.47802 3.80228
212 2Y7G AAE 0.001268 0.4559 3.80228
213 1B7Y FYA 0.0001745 0.45556 3.80228
214 1H16 PYR 0.0169 0.45012 3.80228
215 1P1M MET 0.0006173 0.44747 3.80228
216 3GJB AKG 0.007227 0.44144 3.80228
217 2Q8M AMP 0.005398 0.43812 3.80228
218 1RZM PEP 0.01103 0.43763 3.80228
219 2QV7 ADP 0.003668 0.43693 3.80228
220 1X8X TYR 0.008074 0.43475 3.80228
221 4L1F COS 0.001312 0.43204 3.80228
222 2OWZ F6P 0.003971 0.43165 3.80228
223 3HF3 FMN 0.002181 0.42742 3.80228
224 3M31 FAD 0.001871 0.42652 3.80228
225 3IAE D7K 0.000465 0.42509 3.80228
226 1BUC CAA 0.001725 0.42455 3.80228
227 1IG3 VIB 0.0008388 0.41995 3.80228
228 1JQI FAD 0.0004575 0.41172 3.80228
229 4QDC ASD 0.002867 0.40964 3.80228
230 2YP9 SIA CMO 0.0175 0.40729 3.80228
231 4PB2 5UD 0.01342 0.40718 3.80228
232 1L2T ATP 0.0004273 0.44947 3.82979
233 3BHO B4P 0.003091 0.50706 3.84615
234 2Y6P CTP 0.01216 0.42682 3.84615
235 1XIU REA 0.001422 0.44955 3.91304
236 2YCD GTB 0.01008 0.42635 3.91304
237 2IMF TOM 0.002358 0.41979 3.94089
238 2IMF GSH 0.002358 0.41979 3.94089
239 1GU3 BGC BGC BGC BGC BGC 0.004023 0.45828 4.02685
240 1B5E DCM 0.009964 0.43504 4.06504
241 2HV8 GTP 0.00156 0.42609 4.06977
242 1IM8 SAI 0.002974 0.4258 4.09836
243 4JHG ZEA 0.01615 0.41037 4.16667
244 2JFV FLC 0.0006228 0.51041 4.18251
245 1WRA PC 0.001176 0.50407 4.18251
246 2VDJ HSE 0.001987 0.50003 4.18251
247 3U1T MLI 0.001998 0.49216 4.18251
248 2WUF KEM 0.000355 0.45236 4.18251
249 2GN2 C5P 0.001883 0.44465 4.18251
250 2DWU DGL 0.007916 0.43963 4.18251
251 3NFZ 3NF 0.007549 0.43181 4.18251
252 4L7I SAM 0.004138 0.43092 4.18251
253 3NYQ MCA 0.0002701 0.42939 4.18251
254 2GJN FMN 0.001017 0.42931 4.18251
255 3NYQ AMP 0.0002564 0.42713 4.18251
256 2GJN NIS 0.0008342 0.42594 4.18251
257 1RHC F42 ACN 0.0006749 0.42294 4.18251
258 2O2C G6Q 0.01062 0.4179 4.18251
259 1ML4 PAL 0.006183 0.41547 4.18251
260 3ULK NDP 0.00788 0.40698 4.18251
261 1N1G BCP 0.001026 0.40421 4.18251
262 4QDF 30Q 0.004263 0.4039 4.18251
263 4PTZ FMN 0.0005986 0.46461 4.18848
264 3ZOD FMN 0.0009097 0.42778 4.18848
265 3ZOD HQE 0.0009097 0.42778 4.18848
266 3QDT A2G GAL 0.0009012 0.51841 4.1958
267 3QDY A2G GAL 0.001185 0.51206 4.1958
268 3QDY CBS 0.003 0.48304 4.1958
269 3NCQ ATP 0.0007236 0.44877 4.20168
270 3KMT SAH 0.00592 0.43227 4.20168
271 1H8G CHT 0.02441 0.46293 4.21053
272 4ORR PE3 0.003762 0.40981 4.21053
273 3D2Y AH0 ALA FGA LYS 0.001406 0.44564 4.21456
274 4JK3 NAD 0.003616 0.40238 4.2471
275 1QH9 LAC 0.004972 0.46528 4.31034
276 3KYF 5GP 5GP 0.002683 0.45604 4.329
277 3EW2 BTN 0.01998 0.42115 4.44444
278 1V6A TRE 0.007451 0.45087 4.51807
279 4N7C AEF 0.005369 0.46995 4.54545
280 2XDQ MGX 0.002129 0.50692 4.56274
281 4W6Z ETF 0.002255 0.50553 4.56274
282 2RCN GDP 0.0003535 0.49516 4.56274
283 1ZED PNP 0.00216 0.49041 4.56274
284 3CEV ARG 0.001242 0.47641 4.56274
285 1Y42 TYR 0.001913 0.47347 4.56274
286 3GTD MLI 0.003545 0.46653 4.56274
287 1O9U ADZ 0.01369 0.46191 4.56274
288 3AYS CT3 0.002092 0.46085 4.56274
289 1O68 KIV 0.0047 0.4551 4.56274
290 1WDA BAG 0.003956 0.45342 4.56274
291 1PX8 XYP 0.006666 0.45321 4.56274
292 1UF5 CDT 0.003112 0.45318 4.56274
293 3A1I UNU 0.003965 0.44851 4.56274
294 1EYE PMM 0.00367 0.44538 4.56274
295 4E28 0MZ 0.01055 0.44352 4.56274
296 4NM5 ADP 0.001071 0.43873 4.56274
297 4E28 9MZ 0.0292 0.4266 4.56274
298 2XNJ FAD 0.02573 0.42019 4.56274
299 3L02 SN0 0.0006151 0.41852 4.56274
300 3L02 CP 0.0006151 0.41852 4.56274
301 4DYO SD4 0.02336 0.41801 4.56274
302 2XSU PIE 0.001836 0.41466 4.56274
303 4W6Z 8ID 0.0005733 0.40896 4.56274
304 4WB7 ATP 0.02315 0.40887 4.56274
305 1M7Y PPG 0.002625 0.40428 4.56274
306 4BG1 IVL 0.01173 0.40345 4.56274
307 4BG1 OGA 0.01173 0.40345 4.56274
308 2Q9U FMN 0.01671 0.40343 4.56274
309 1Q7E MET 0.004826 0.40342 4.56274
310 1XX4 BAM 0.002038 0.50798 4.5977
311 1QY1 PRZ 0.0006628 0.4502 4.5977
312 1UCN ADP 0.001923 0.45288 4.60526
313 2JGS BTN 0.03794 0.41419 4.61538
314 2QLX RM4 0.007512 0.4624 4.62963
315 1I1Q TRP 0.04197 0.40621 4.6875
316 3F8C HT1 0.005053 0.45906 4.7619
317 1CTU ZEB 0.006786 0.42229 4.7619
318 3UEC ALA ARG TPO LYS 0.00206 0.49148 4.79452
319 4EXO PYR 0.005271 0.47733 4.79452
320 2HJ3 FAD 0.002324 0.42981 4.8
321 4B8V NDG NAG NAG NAG 0.001076 0.42533 4.82456
322 1NF8 BOG 0.0007623 0.51379 4.83092
323 1NF8 ISC 0.003528 0.44612 4.83092
324 2IYG FMN 0.01349 0.42085 4.83871
325 4QED NAP 0.001438 0.41255 4.83871
326 4COQ SAN 0.003391 0.47361 4.8583
327 1Z42 HBA 0.002979 0.52315 4.94297
328 1RYD GLC 0.0008313 0.50414 4.94297
329 1Z44 NPO 0.007853 0.49289 4.94297
330 2GWD GLU 0.00286 0.45986 4.94297
331 2C5S AMP 0.002864 0.45983 4.94297
332 1E5F PLP 0.001066 0.459 4.94297
333 4O8A 2OP 0.01561 0.45872 4.94297
334 4CCO OGA 0.00527 0.45276 4.94297
335 2ZJ5 ADP 0.007897 0.44964 4.94297
336 1Z42 FMN 0.002993 0.44922 4.94297
337 1Z41 FMN 0.001999 0.44778 4.94297