- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 426 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 |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 4O3B | Ki = 0.82 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
2 | 5CBS | Kd = 3.9 uM | E42 | C15 H15 N O3 | c1cc(cc(c1.... |
3 | 3PD8 | Ki = 108 nM | HA7 | C7 H8 N2 O4 | C1CN[C@@H].... |
4 | 1P1O | Kd = 1.74 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
5 | 1MQH | ic50 = 0.3 uM | BWD | C7 H8 Br N3 O4 | C1=C(C(=O).... |
6 | 1FTK | ic50 = 14.5 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
7 | 3TKD | - | CYZ | C14 H16 Cl N3 O4 S2 | c1c2c(cc(c.... |
8 | 1M5F | ic50 = 14.8 nM | AM1 | C8 H10 N2 O5 | Cc1c(c(no1.... |
9 | 5FTI | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
10 | 1XHY | Ki = 624 nM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
11 | 1M5C | ic50 = 0.5 uM | BRH | C6 H7 Br N2 O4 | C(c1c(c(no.... |
12 | 1SYI | Ki = 3330 nM | CPW | C10 H13 N3 O4 | C1CC2=C(C1.... |
13 | 5O9A | - | 7M6 | C9 H10 Cl F N2 O2 S | c1cc2c(cc1.... |
14 | 1MY3 | - | BWD | C7 H8 Br N3 O4 | C1=C(C(=O).... |
15 | 3ILU | - | HFZ | C8 H8 F3 N3 O4 S2 | c1c(c(cc2c.... |
16 | 3PMV | - | 557 | C17 H22 F3 N3 O3 S | C[C@H](CNS.... |
17 | 5H8S | - | 5YC | C15 H16 N4 O S | CCN(CC1=CC.... |
18 | 6HC9 | - | FXW | C22 H26 N4 O4 S2 | c1cc2c(cc1.... |
19 | 6YK3 | Ki = 17.5 uM | PVQ | C9 H12 N4 O4 | C1C2=C(CN1.... |
20 | 2XHD | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
21 | 3B7D | - | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
22 | 4U1Z | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
23 | 1WVJ | Ki = 185 nM | IBC | C11 H14 N2 O4 | C1CC=C(c2c.... |
24 | 1P1U | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
25 | 4Q30 | - | NWD | C7 H8 N4 O6 | C1=C(C(=O).... |
26 | 6YK2 | Ki = 0.762 uM | CGW | C9 H11 N3 O4 S | C1C2=C(CS1.... |
27 | 4U23 | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
28 | 6Q60 | - | HJH | C6 H10 N4 O3 | Cn1nc(c(n1.... |
29 | 1MQG | ic50 = 0.52 uM | IWD | C7 H8 I N3 O4 | C1=C(C(=O).... |
30 | 3BBR | - | BHY | C20 H28 N2 O4 S2 | C[C@@H](CN.... |
31 | 3LSF | - | PZI | C6 H10 N2 O2 | C1CC(=O)N(.... |
32 | 3PMX | - | 808 | C18 H20 F3 N O3 S | CC(C)S(=O).... |
33 | 2ANJ | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
34 | 2XX8 | - | 1NE | C17 H18 F3 N3 O | CN(C)C(=O).... |
35 | 1P1Q | Kd = 12.8 uM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
36 | 2AL5 | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
37 | 5YBG | ic50 = 0.03 uM | 8SO | C21 H30 N2 O4 S2 | C[C@@H](CN.... |
38 | 1M5E | ic50 = 20.1 nM | AM1 | C8 H10 N2 O5 | Cc1c(c(no1.... |
39 | 3BKI | ic50 = 7.6 uM | FQX | C8 H4 N4 O4 | c1c2c(cc3c.... |
40 | 2AIX | - | U1K | C10 H16 N2 O3 S | CC(C)(C)c1.... |
41 | 3B6W | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
42 | 2I3W | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
43 | 3O6H | - | O25 | C18 H22 F3 N5 O2 S | CCNCc1cn(n.... |
44 | 6HCC | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
45 | 3KGC | - | ZK1 | C14 H15 F3 N3 O6 P | c1c(c(cc2c.... |
46 | 3BFU | Ki = 531 nM | R2P | C5 H7 N3 O3 S | C(c1c(nsn1.... |
47 | 3UA8 | ic50 = 14 nM | 08W | C15 H13 F3 N6 O5 S | CNC(=O)c1c.... |
48 | 4LZ7 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
49 | 1FTL | ic50 = 998 nM | DNQ | C8 H2 N4 O6 | C1=C(C(=CC.... |
50 | 3B6Q | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
51 | 3RN8 | - | RN8 | C22 H16 N2 O4 S2 | CCc1c(c(c(.... |
52 | 1P1W | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
53 | 1MQI | ic50 = 23.53 nM | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
54 | 3O29 | - | O29 | C23 H30 F3 N5 O2 S | CN(C)CCNC(.... |
55 | 1FTJ | ic50 = 821 nM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
56 | 3PD9 | Ki = 494 nM | HA5 | C7 H8 N2 O4 | C1c2c(onc2.... |
57 | 1M5B | ic50 = 9.7 nM | BN1 | C8 H10 N6 O4 | Cn1nc(nn1).... |
58 | 6HCA | - | FXW | C22 H26 N4 O4 S2 | c1cc2c(cc1.... |
59 | 3EN3 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
60 | 1SYH | Ki = 393 nM | CPW | C10 H13 N3 O4 | C1CC2=C(C1.... |
61 | 4X48 | - | XPF | C18 H20 N2 O4 S2 | CC(C)S(=O).... |
62 | 3H6W | - | NS7 | C19 H29 N3 O4 S2 | Cc1cc2c(cc.... |
63 | 1MY4 | - | IWD | C7 H8 I N3 O4 | C1=C(C(=O).... |
64 | 4IGT | Kd = 12.8 nM | 3ZA | C9 H16 N2 O6 | CN(C(=O)CC.... |
65 | 3M3L | - | P99 | C16 H16 F2 N2 O4 S2 | c1ccc(cc1).... |
66 | 6GL4 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
67 | 5CBR | Kd = 1.8 uM | 4ZK | C14 H12 Cl2 N2 O3 | c1c(cc(c(c.... |
68 | 4GXS | - | 0YS | C18 H21 Cl2 N3 O9 | c1c(cc(c(c.... |
69 | 4U21 | - | FWF | C24 H36 N2 O4 S2 | C[C@@H](CN.... |
70 | 4YMA | - | 4E5 | C12 H13 N O5 | c1c(cc(cc1.... |
71 | 1FW0 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
72 | 1LB8 | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
73 | 3FAS | Ki = 171 nM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
74 | 4U22 | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
75 | 6FQJ | - | ZK1 | C14 H15 F3 N3 O6 P | c1c(c(cc2c.... |
76 | 4ISU | Ki = 0.21 mM | IKM | C12 H14 N2 O6 | C1C=C[C@H].... |
77 | 1MXU | ic50 = 4 uM | BWD | C7 H8 Br N3 O4 | C1=C(C(=O).... |
78 | 4U4X | Kd = 9.8 uM | 3C2 | C8 H11 N3 O2 S | CCN1CNS(=O.... |
79 | 1MM7 | ic50 = 20 nM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
80 | 2XX9 | - | 1NF | C19 H19 F4 N3 O | c1cc(c(cc1.... |
81 | 3M3K | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
82 | 2XXH | - | 1NG | C20 H22 F3 N3 O | c1cc(ccc1C.... |
83 | 5ZG3 | Ki = 0.061 uM | 9C6 | C19 H16 N2 O3 S | c1ccc(cc1).... |
84 | 5FHM | - | 5XP | C15 H17 N7 O4 | c1cc(cc(c1.... |
85 | 4N07 | Kd = 0.35 uM | 2J9 | C10 H11 F N2 O2 S | c1cc2c(cc1.... |
86 | 3IJO | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
87 | 3RNN | - | RNN | C16 H28 N2 O4 S2 | CC(C)S(=O).... |
88 | 2AL4 | - | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
89 | 4LZ5 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
90 | 4U4S | Kd = 1200 uM | 3C1 | C8 H11 N3 O2 S | CCN1CNS(=O.... |
91 | 4G8M | Kd = 12.8 nM | G8M | C7 H11 N O4 | C1C[C@@H](.... |
92 | 3H6T | - | CYZ | C14 H16 Cl N3 O4 S2 | c1c2c(cc(c.... |
93 | 3O6G | - | O27 | C23 H28 F3 N5 O2 S | C1CCc2c(c(.... |
94 | 1NNP | - | CE2 | C10 H15 N2 O4 | CC(C)(C)c1.... |
95 | 5YBF | Kd = 543 nM | 8SR | C16 H17 F3 N4 O2 S | Cc1cc(nn1C.... |
96 | 1P1N | Kd = 0.16 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
97 | 1M5D | ic50 = 9.2 uM | BRH | C6 H7 Br N2 O4 | C(c1c(c(no.... |
98 | 5ZG1 | Ki = 0.019 uM | 9C0 | C17 H20 N2 O2 S | CC(C)(C)c1.... |
99 | 3IK6 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
100 | 2XXI | - | JAC | C18 H18 F3 N3 O2 | c1cc(ccc1C.... |
101 | 4O3A | Ki = 2.57 mM | ASP | C4 H7 N O4 | C([C@@H](C.... |
102 | 3B6T | - | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
103 | 6GIV | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
104 | 4FAT | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
105 | 3H6U | - | NS3 | C18 H28 N4 O4 S2 | Cc1cc2c(cc.... |
106 | 1NNK | ic50 = 3.5 uM | CE2 | C10 H15 N2 O4 | CC(C)(C)c1.... |
107 | 3FAT | Kd = 22.8 nM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
108 | 3T9X | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
109 | 1MY2 | - | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
110 | 3ILT | - | TRU | C8 H8 Cl3 N3 O4 S2 | c1c2c(cc(c.... |
111 | 3O6I | - | O26 | C20 H29 N5 O2 S | CC(C)(C)c1.... |
112 | 3DLN | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
113 | 3RTW | - | NWD | C7 H8 N4 O6 | C1=C(C(=O).... |
114 | 1MQD | ic50 = 0.17 uM | SHI | C6 H8 N2 O4 | c1c(c(no1).... |
115 | 3T93 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
116 | 6Q54 | - | HJ8 | C7 H12 N4 O3 | CCn1c(c(nn.... |
117 | 6YK6 | Ki = 135 uM | OUB | C9 H9 N3 O5 | c1c2c(co1).... |
118 | 6HCB | - | D45 | C18 H22 N4 O4 S2 | CN1CNS(=O).... |
119 | 4F29 | Ki = 0.168 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
120 | 1MS7 | ic50 = 0.17 uM | SHI | C6 H8 N2 O4 | c1c(c(no1).... |
121 | 3R7X | ic50 = 0.082 uM | QSN | C12 H10 N6 O6 S | CS(=O)(=O).... |
122 | 3BFT | Ki = 323 nM | S2P | C5 H7 N3 O3 S | C(c1c(nsn1.... |
123 | 6FQH | - | E2Q | C12 H8 N4 O6 S | c1cc2c(c(c.... |
124 | 5JEI | - | FWD | C7 H8 F N3 O4 | C1=C(C(=O).... |
125 | 3O28 | - | O28 | C19 H21 F3 N4 O2 S | C1CCc2c(c(.... |
126 | 4IY6 | - | MQS | C15 H17 N3 O | C[C@H]1CCC.... |
127 | 3LSL | - | PZI | C6 H10 N2 O2 | C1CC(=O)N(.... |
128 | 2XX7 | - | 1ND | C19 H20 F3 N3 O | c1cc(ccc1C.... |
129 | 1FTM | Kd = 24.8 nM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
130 | 2GFE | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
131 | 4F31 | Ki = 2.08 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
132 | 5ZG2 | - | ZK1 | C14 H15 F3 N3 O6 P | c1c(c(cc2c.... |
133 | 3T9U | - | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
134 | 3T96 | - | IWD | C7 H8 I N3 O4 | C1=C(C(=O).... |
135 | 3KFM | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
136 | 6YK5 | Ki = 4.73 uM | PVK | C9 H11 N3 O5 | C1C2=C(CO1.... |
137 | 2I3V | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
138 | 3T9H | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
139 | 3PMW | - | G69 | C18 H22 F3 N3 O3 S | CC(C)S(=O).... |
140 | 3H6V | - | NS6 | C18 H27 N3 O4 S2 | CN1CCN(CC1.... |
141 | 1LBB | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
142 | 5BUU | - | 4V6 | C10 H13 Cl N2 O2 S | C[C@@H]1N(.... |
143 | 3H03 | ic50 = 135 uM | UBP | C10 H13 N3 O6 | C1=CN(C(=O.... |
144 | 6FQK | - | ZK1 | C14 H15 F3 N3 O6 P | c1c(c(cc2c.... |
145 | 1LB9 | - | DNQ | C8 H2 N4 O6 | C1=C(C(=CC.... |
146 | 1N0T | ic50 = 12.2 uM | AT1 | C11 H19 N2 O7 P | CC(C)(C)c1.... |
147 | 5ZG0 | Ki = 0.082 uM | 9C3 | C16 H18 N2 O3 S | CC(C)Oc1cc.... |
148 | 3T9V | - | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
149 | 1GR2 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
150 | 5OEW | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
151 | 3IL1 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
152 | 3DP6 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
153 | 4O3C | Ki = 2.57 mM | ASP | C4 H7 N O4 | C([C@@H](C.... |
154 | 3RTF | - | CWD | C7 H8 Cl N3 O4 | C1=C(C(=O).... |
155 | 6FAZ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
156 | 1MM6 | ic50 = 20 nM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
157 | 4F3G | Ki = 3.44 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
158 | 4IY5 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
159 | 4F39 | Ki = 3.44 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
160 | 5FHO | - | 5XN | C14 H14 Cl N6 O4 | c1cc(cc(c1.... |
161 | 6HCH | - | D45 | C18 H22 N4 O4 S2 | CN1CNS(=O).... |
162 | 2P2A | Ki = 0.75 uM | MP9 | C14 H14 N6 O4 | c1ccc(cc1).... |
163 | 3TZA | Ki = 3.15 uM | TZG | C12 H13 Cl N2 O6 | c1c(c(cc(c.... |
164 | 5NIH | Ki = 134 nM | 8VE | C8 H11 N3 O4 | CN1[C@H]2C.... |
165 | 3O2A | - | O30 | C22 H28 F3 N5 O2 S | C1CCc2c(c(.... |
166 | 4LZ8 | - | 1YX | C19 H27 F N4 O4 S | CC(C)S(=O).... |
167 | 1MQJ | ic50 = 4.76 uM | HWD | C7 H9 N3 O4 | C1=CN(C(=O.... |
168 | 5NG9 | Ki = 191 nM | 8VN | C7 H8 N2 O5 | C1[C@H]2[C.... |
169 | 5NS9 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
170 | 4F1Y | Kd = 0.96 uM | CNI | C9 H2 N4 O4 | C1=C(C(=CC.... |
171 | 5ELV | Kd = 0.16 uM | 5PX | C10 H12 N2 O3 S | c1cc2c(cc1.... |
172 | 6YK4 | Ki = 7.89 uM | CG8 | C10 H14 N4 O4 | CN1CC2=C(C.... |
173 | 4U1O | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
174 | 1LBC | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
175 | 3TDJ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
176 | 5FHN | - | 5XO | C15 H16 N6 O4 | Cc1cccc(c1.... |
177 | 4QF9 | Ki = 37.1 uM | 35K | C12 H13 N3 O4 | c1cc2c(cc1.... |
178 | 1TXF | Ki = 57.2 nM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
179 | 3GBB | Ki = 126 nM | MS8 | C11 H17 N O6 | C1C[C@@H]2.... |
180 | 5MFQ | - | 2J9 | C10 H11 F N2 O2 S | c1cc2c(cc1.... |
181 | 3FVN | Ki = 169 nM | 9DX | C11 H17 N O7 | C1CO[C@@H].... |
182 | 1YCJ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
183 | 3C35 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
184 | 5MFW | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
185 | 3C31 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
186 | 3FV1 | Ki = 0.5 nM | DYH | C12 H20 N2 O7 | CN[C@@H]1[.... |
187 | 3C34 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
188 | 2F36 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
189 | 3GBA | Ki = 0.848 nM | DYH | C12 H20 N2 O7 | CN[C@@H]1[.... |
190 | 6SBT | Ki = 43 nM | L5H | C19 H12 F3 N5 O3 | c1ccc(cc1).... |
191 | 3FV2 | Ki = 7.7 nM | NDZ | C11 H17 N O8 | C1[C@@H]2[.... |
192 | 2QS4 | Kd = 38 nM | LY5 | C16 H24 F2 N2 O4 | C1C[C@H]2C.... |
193 | 2QS3 | Kd = 1.4 nM | UBE | C20 H19 N3 O6 S | CC1=CN(C(=.... |
194 | 2OJT | - | UBA | C14 H15 N3 O6 S | CC1=CN(C(=.... |
195 | 3C33 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
196 | 2WKY | Ki = 2.57 nM | IBC | C11 H14 N2 O4 | C1CC=C(c2c.... |
197 | 2PBW | Ki = 5.56 nM | DOQ | C15 H21 N O6 | C[C@H](C=C.... |
198 | 4YMB | Ki = 0.62 uM | 4E7 | C15 H19 N O4 | CCC[C@@H]1.... |
199 | 6FZ4 | Ki = 1.12 uM | EC8 | C16 H9 F4 N3 O4 | c1ccc(c(c1.... |
200 | 3FVG | Ki = 128 nM | MS8 | C11 H17 N O6 | C1C[C@@H]2.... |
201 | 3C36 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
202 | 2F34 | Kd = 0.13 uM | UBA | C14 H15 N3 O6 S | CC1=CN(C(=.... |
203 | 3C32 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
204 | 2QS2 | Kd = 186 nM | UBF | C13 H12 Br N3 O6 S | c1csc(c1CN.... |
205 | 4DLD | Ki = 1.5 uM | TZG | C12 H13 Cl N2 O6 | c1c(c(cc(c.... |
206 | 3FVK | Ki = 1.5 nM | 8DX | C11 H17 N O7 | C1[C@@H](C.... |
207 | 2ZNU | Ki = 7.7 nM | NDZ | C11 H17 N O8 | C1[C@@H]2[.... |
208 | 3S2V | Ki = 157 nM | 3HU | C15 H13 N3 O6 S2 | c1csc(c1CN.... |
209 | 2QS1 | Kd = 33 nM | UB1 | C14 H13 Br2 N3 O6 S | CC1=CN(C(=.... |
210 | 4E0X | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
211 | 5MFV | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
212 | 2ZNT | Ki = 0.5 nM | DYH | C12 H20 N2 O7 | CN[C@@H]1[.... |
213 | 2F35 | Kd = 3.94 uM | UBC | C15 H15 N3 O6 | c1ccc(c(c1.... |
214 | 5NEB | Ki = 17 nM | 8VE | C8 H11 N3 O4 | CN1[C@H]2C.... |
215 | 1VSO | Ki = 18980 nM | AT1 | C11 H19 N2 O7 P | CC(C)(C)c1.... |
216 | 5CC2 | Kd = 80 uM | CKA | C10 H6 Cl N O3 | c1cc2c(cc1.... |
217 | 2V3U | Kd = 1 mM | DSN | C3 H7 N O3 | C([C@H](C(.... |
218 | 6JMV | - | SYM | C6 H10 N O4 | C[C@H](C[C.... |
219 | 4MH5 | Ki = 7.43 uM | GGL | C5 H9 N O4 | C(CC(=O)O).... |
220 | 3U92 | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
221 | 4E0W | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
222 | 5O4F | Ki = 208 uM | 8VE | C8 H11 N3 O4 | CN1[C@H]2C.... |
223 | 4NWC | Ki = 1.74 uM | 2QE | C9 H15 N O6 | COC(=O)CC[.... |
224 | 4G8N | Kd = 63 nM | G8M | C7 H11 N O4 | C1C[C@@H](.... |
225 | 6F28 | Ki = 2.15 uM | CG8 | C10 H14 N4 O4 | CN1CC2=C(C.... |
226 | 5CMB | Kd = 28.3 nM | GLY | C2 H5 N O2 | C(C(=O)O)N |
227 | 4YKJ | Ki = 37 uM | ALA | C3 H7 N O2 | C[C@@H](C(.... |
228 | 4YKI | Kd = 2.7 nM | GLY | C2 H5 N O2 | C(C(=O)O)N |
229 | 4YKP | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
230 | 5EHM | - | OEM | C5 H9 N O4 | CN[C@H](CC.... |
231 | 5EHS | - | 2JJ | C5 H12 N O5 P | C(C[C@H](C.... |
232 | 5DTB | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
233 | 4F2O | Ki = 0.042 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
234 | 3DP4 | Kd = 43 nM | AMQ | C7 H10 N2 O4 | Cc1c(c(no1.... |
235 | 4F22 | Ki = 30.26 uM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
236 | 4F3B | Ki = 1.271 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
237 | 4F2Q | Ki = 0.042 uM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
238 | 3RT8 | - | CWD | C7 H8 Cl N3 O4 | C1=C(C(=O).... |
239 | 3M3F | - | P99 | C16 H16 F2 N2 O4 S2 | c1ccc(cc1).... |
240 | 3LSX | - | PZI | C6 H10 N2 O2 | C1CC(=O)N(.... |
241 | 3LSW | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
242 | 4WXJ | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
243 | 4H8I | - | 11W | C20 H21 N3 O4 | c1ccc(cc1).... |
244 | 4BDQ | - | CYS | C3 H7 N O2 S | C([C@@H](C.... |
245 | 2XXW | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
246 | 1SD3 | - | SYM | C6 H10 N O4 | C[C@H](C[C.... |
247 | 2XXX | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
248 | 2XXR | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
249 | 3QXM | Ki = 33 nM | NDZ | C11 H17 N O8 | C1[C@@H]2[.... |
250 | 1S9T | Ki = 253 nM | QUS | C5 H7 N3 O5 | C([C@@H](C.... |
251 | 4BDR | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
252 | 2XXT | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
253 | 5CMM | - | SYM | C6 H10 N O4 | C[C@H](C[C.... |
254 | 2XXU | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
255 | 4BDN | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
256 | 1S50 | Ki = 1.4 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
257 | 2XXV | - | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
258 | 5CMK | ic50 = 30 nM | LY5 | C16 H24 F2 N2 O4 | C1C[C@H]2C.... |
259 | 4BDL | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
260 | 1S7Y | Ki = 1.4 uM | GLU | C5 H9 N O4 | C(CC(=O)O).... |
261 | 1TT1 | Ki = 64.6 nM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
262 | 5IKB | Kd = 1.9 nM | KAI | C10 H15 N O4 | CC(=C)[C@H.... |
263 | 5DT6 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
264 | 5ICT | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
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 | DBB | 0.6 | 0.692308 |
6 | ABA | 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 | HL5 | 0.518519 | 0.814815 |
15 | AS2 | 0.5 | 0.703704 |
16 | NVA | 0.5 | 0.62069 |
17 | HCS | 0.5 | 0.777778 |
18 | CSO | 0.5 | 0.636364 |
19 | LEU | 0.5 | 0.642857 |
20 | API | 0.5 | 0.633333 |
21 | CSS | 0.48 | 0.689655 |
22 | DGY | 0.47619 | 0.607143 |
23 | DGL | 0.461538 | 0.655172 |
24 | GLU | 0.461538 | 0.655172 |
25 | GGL | 0.461538 | 0.655172 |
26 | ORN | 0.444444 | 0.689655 |
27 | SLZ | 0.433333 | 0.625 |
28 | DLY | 0.413793 | 0.666667 |
29 | 11C | 0.413793 | 0.633333 |
30 | UN1 | 0.413793 | 0.633333 |
31 | CME | 0.40625 | 0.666667 |
32 | LYS | 0.4 | 0.645161 |
33 | DHH | 0.4 | 0.612903 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DE2 | 1.0000 |
2 | 3PY | 1.0000 |
3 | TAR | 1.0000 |
4 | SMB | 1.0000 |
5 | HUI | 1.0000 |
6 | DXX | 1.0000 |
7 | 39J | 0.9987 |
8 | 2KT | 0.9984 |
9 | KG7 | 0.9971 |
10 | 1AC | 0.9864 |
11 | ALA | 0.9831 |
12 | THR | 0.9831 |
13 | LAC | 0.9792 |
14 | 2OP | 0.9775 |
15 | 03W | 0.9773 |
16 | HIU | 0.9773 |
17 | OXL | 0.9770 |
18 | A3B | 0.9766 |
19 | PYR | 0.9754 |
20 | MB3 | 0.9746 |
21 | ALQ | 0.9719 |
22 | HBS | 0.9705 |
23 | SSN | 0.9680 |
24 | NIS | 0.9669 |
25 | VAL | 0.9668 |
26 | CAQ | 0.9666 |
27 | 9YL | 0.9662 |
28 | OXM | 0.9658 |
29 | CEJ | 0.9658 |
30 | 23W | 0.9655 |
31 | OXD | 0.9655 |
32 | HV2 | 0.9653 |
33 | MLI | 0.9641 |
34 | 9X7 | 0.9640 |
35 | 2HA | 0.9633 |
36 | LER | 0.9628 |
37 | MLA | 0.9622 |
38 | GOL | 0.9620 |
39 | GXV | 0.9620 |
40 | 192 | 0.9617 |
41 | E60 | 0.9616 |
42 | HGY | 0.9607 |
43 | C5J | 0.9606 |
44 | 3GR | 0.9606 |
45 | NAK | 0.9601 |
46 | IPH | 0.9599 |
47 | ALO | 0.9596 |
48 | HBR | 0.9594 |
49 | AKB | 0.9593 |
50 | DTL | 0.9582 |
51 | TF4 | 0.9582 |
52 | BAL | 0.9573 |
53 | IQ0 | 0.9573 |
54 | PPF | 0.9561 |
55 | 273 | 0.9559 |
56 | MMZ | 0.9554 |
57 | MEU | 0.9552 |
58 | PYM | 0.9552 |
59 | 3OH | 0.9551 |
60 | TAY | 0.9550 |
61 | AOA | 0.9542 |
62 | TFB | 0.9541 |
63 | DAL | 0.9540 |
64 | BUQ | 0.9538 |
65 | PRS | 0.9537 |
66 | BUB | 0.9537 |
67 | 2PC | 0.9536 |
68 | PRO | 0.9536 |
69 | BUO | 0.9536 |
70 | MRY | 0.9535 |
71 | KIV | 0.9534 |
72 | DMG | 0.9533 |
73 | BAQ | 0.9531 |
74 | SAR | 0.9530 |
75 | FW5 | 0.9526 |
76 | AAE | 0.9522 |
77 | 7EX | 0.9519 |
78 | KSW | 0.9515 |
79 | 2IM | 0.9514 |
80 | BU4 | 0.9509 |
81 | 5Y9 | 0.9508 |
82 | BMD | 0.9504 |
83 | 40O | 0.9503 |
84 | BUA | 0.9499 |
85 | 69O | 0.9495 |
86 | MAK | 0.9494 |
87 | CYH | 0.9494 |
88 | LEA | 0.9492 |
89 | CXL | 0.9492 |
90 | BAE | 0.9490 |
91 | MLM | 0.9487 |
92 | A2Q | 0.9483 |
93 | 280 | 0.9478 |
94 | ICN | 0.9475 |
95 | HYN | 0.9471 |
96 | 3ZQ | 0.9469 |
97 | NVI | 0.9464 |
98 | BXO | 0.9462 |
99 | CHT | 0.9459 |
100 | XIX | 0.9458 |
101 | V1L | 0.9451 |
102 | 4AX | 0.9449 |
103 | HDA | 0.9443 |
104 | MZ0 | 0.9442 |
105 | DTI | 0.9442 |
106 | HRZ | 0.9441 |
107 | 9PO | 0.9440 |
108 | 3HL | 0.9435 |
109 | 1SP | 0.9434 |
110 | LGA | 0.9434 |
111 | 3HR | 0.9432 |
112 | DMI | 0.9428 |
113 | 2AP | 0.9427 |
114 | HVK | 0.9427 |
115 | XAP | 0.9427 |
116 | IVA | 0.9426 |
117 | DCD | 0.9426 |
118 | 3AP | 0.9425 |
119 | HAI | 0.9424 |
120 | MBN | 0.9423 |
121 | HSL | 0.9422 |
122 | GXE | 0.9421 |
123 | 4AP | 0.9420 |
124 | HPY | 0.9414 |
125 | MTG | 0.9411 |
126 | BEW | 0.9410 |
127 | 24T | 0.9409 |
128 | ATQ | 0.9406 |
129 | P2D | 0.9405 |
130 | ABU | 0.9404 |
131 | AMT | 0.9404 |
132 | GBL | 0.9402 |
133 | URA | 0.9401 |
134 | WOT | 0.9400 |
135 | MAE | 0.9399 |
136 | MMU | 0.9396 |
137 | T2C | 0.9394 |
138 | HZP | 0.9393 |
139 | DTT | 0.9391 |
140 | 3TR | 0.9387 |
141 | 8CL | 0.9387 |
142 | PRI | 0.9384 |
143 | TMT | 0.9384 |
144 | 93B | 0.9383 |
145 | 278 | 0.9380 |
146 | ODV | 0.9374 |
147 | 6SP | 0.9371 |
148 | L60 | 0.9368 |
149 | HVQ | 0.9368 |
150 | SIN | 0.9366 |
151 | 8X3 | 0.9363 |
152 | 25T | 0.9362 |
153 | FUM | 0.9358 |
154 | J1Z | 0.9356 |
155 | 26D | 0.9352 |
156 | BVG | 0.9351 |
157 | ITU | 0.9350 |
158 | 1DU | 0.9348 |
159 | CRS | 0.9346 |
160 | 1CB | 0.9344 |
161 | 3BB | 0.9342 |
162 | 265 | 0.9339 |
163 | 3MT | 0.9336 |
164 | TP5 | 0.9336 |
165 | A8C | 0.9333 |
166 | SLP | 0.9331 |
167 | TTO | 0.9328 |
168 | 9TY | 0.9327 |
169 | HGQ | 0.9323 |
170 | DTU | 0.9321 |
171 | XPO | 0.9321 |
172 | IHG | 0.9321 |
173 | HBX | 0.9319 |
174 | TAU | 0.9318 |
175 | PYC | 0.9318 |
176 | FOA | 0.9317 |
177 | VX | 0.9316 |
178 | BVC | 0.9313 |
179 | MR3 | 0.9312 |
180 | HOW | 0.9311 |
181 | 2HE | 0.9309 |
182 | POA | 0.9309 |
183 | C21 | 0.9308 |
184 | 282 | 0.9304 |
185 | WTZ | 0.9303 |
186 | 2MZ | 0.9303 |
187 | SYN | 0.9303 |
188 | PYF | 0.9301 |
189 | 1MZ | 0.9300 |
190 | H3M | 0.9300 |
191 | 2AI | 0.9298 |
192 | JZ6 | 0.9297 |
193 | SGL | 0.9296 |
194 | D2P | 0.9293 |
195 | MZY | 0.9292 |
196 | TMZ | 0.9292 |
197 | 4HA | 0.9291 |
198 | EGD | 0.9291 |
199 | NXA | 0.9288 |
200 | 2EZ | 0.9285 |
201 | 5MP | 0.9285 |
202 | 5KX | 0.9285 |
203 | 4MZ | 0.9284 |
204 | 1DH | 0.9278 |
205 | ETX | 0.9277 |
206 | CYT | 0.9276 |
207 | RCO | 0.9276 |
208 | GOA | 0.9270 |
209 | PUT | 0.9267 |
210 | NBE | 0.9266 |
211 | 285 | 0.9266 |
212 | HHN | 0.9265 |
213 | TZC | 0.9265 |
214 | DUC | 0.9264 |
215 | PE9 | 0.9263 |
216 | 23B | 0.9263 |
217 | PYG | 0.9262 |
218 | SMV | 0.9261 |
219 | 4JU | 0.9259 |
220 | IDH | 0.9259 |
221 | ABN | 0.9258 |
222 | LDU | 0.9257 |
223 | 4CH | 0.9256 |
224 | PY7 | 0.9253 |
225 | JZ3 | 0.9250 |
226 | LG3 | 0.9250 |
227 | QFH | 0.9250 |
228 | HLT | 0.9248 |
229 | BVF | 0.9245 |
230 | HYP | 0.9245 |
231 | 4XX | 0.9242 |
232 | 3CH | 0.9240 |
233 | ECE | 0.9239 |
234 | WBU | 0.9237 |
235 | BYZ | 0.9235 |
236 | NMG | 0.9234 |
237 | DPR | 0.9231 |
238 | 93Q | 0.9230 |
239 | APY | 0.9230 |
240 | B20 | 0.9225 |
241 | PIH | 0.9223 |
242 | MLT | 0.9222 |
243 | TEO | 0.9222 |
244 | OXE | 0.9219 |
245 | FJO | 0.9219 |
246 | 2DR | 0.9219 |
247 | URF | 0.9217 |
248 | PPI | 0.9216 |
249 | LG5 | 0.9215 |
250 | HQE | 0.9214 |
251 | FP2 | 0.9213 |
252 | BTL | 0.9212 |
253 | YAN | 0.9211 |
254 | GLY | 0.9211 |
255 | NK | 0.9210 |
256 | FAH | 0.9209 |
257 | THE | 0.9209 |
258 | JAB | 0.9208 |
259 | 92Z | 0.9207 |
260 | 4MV | 0.9207 |
261 | F3V | 0.9205 |
262 | 8GF | 0.9204 |
263 | AC5 | 0.9203 |
264 | PLQ | 0.9201 |
265 | CIG | 0.9200 |
266 | 284 | 0.9200 |
267 | L89 | 0.9199 |
268 | 1MR | 0.9198 |
269 | EDG | 0.9198 |
270 | 4DX | 0.9198 |
271 | AMC | 0.9197 |
272 | 4HO | 0.9197 |
273 | TDR | 0.9195 |
274 | 1AB | 0.9194 |
275 | 2AF | 0.9194 |
276 | JZ0 | 0.9193 |
277 | 3SS | 0.9191 |
278 | DA1 | 0.9189 |
279 | ICC | 0.9189 |
280 | BNZ | 0.9188 |
281 | 76X | 0.9187 |
282 | ITN | 0.9186 |
283 | ILE | 0.9183 |
284 | R8A | 0.9182 |
285 | HGW | 0.9182 |
286 | PHZ | 0.9182 |
287 | 2A1 | 0.9181 |
288 | HX2 | 0.9180 |
289 | FPN | 0.9178 |
290 | HEW | 0.9178 |
291 | HTS | 0.9178 |
292 | 2CH | 0.9177 |
293 | IOM | 0.9176 |
294 | UGC | 0.9176 |
295 | 0PY | 0.9175 |
296 | 1AN | 0.9175 |
297 | FMS | 0.9174 |
298 | LG4 | 0.9174 |
299 | PYJ | 0.9173 |
300 | TH0 | 0.9173 |
301 | RP7 | 0.9173 |
302 | 8LG | 0.9170 |
303 | 3ZS | 0.9169 |
304 | 4H2 | 0.9167 |
305 | TB6 | 0.9167 |
306 | R2B | 0.9167 |
307 | 40E | 0.9166 |
308 | FPI | 0.9166 |
309 | PCR | 0.9165 |
310 | JBN | 0.9164 |
311 | ETM | 0.9161 |
312 | MCT | 0.9161 |
313 | ES3 | 0.9160 |
314 | FLA | 0.9158 |
315 | AML | 0.9157 |
316 | 25R | 0.9157 |
317 | HAE | 0.9155 |
318 | 6X8 | 0.9153 |
319 | 5MH | 0.9153 |
320 | FCN | 0.9152 |
321 | 2A3 | 0.9152 |
322 | 938 | 0.9152 |
323 | GLV | 0.9152 |
324 | B3R | 0.9151 |
325 | OAA | 0.9150 |
326 | BRP | 0.9149 |
327 | XBZ | 0.9149 |
328 | CP | 0.9147 |
329 | PXY | 0.9147 |
330 | 2MH | 0.9147 |
331 | CMS | 0.9146 |
332 | 275 | 0.9145 |
333 | JZ2 | 0.9144 |
334 | PYZ | 0.9143 |
335 | HY3 | 0.9142 |
336 | LMR | 0.9140 |
337 | P1R | 0.9137 |
338 | HSW | 0.9137 |
339 | 4CL | 0.9136 |
340 | 2AC | 0.9136 |
341 | DCL | 0.9135 |
342 | GAG | 0.9134 |
343 | 0R0 | 0.9132 |
344 | B24 | 0.9131 |
345 | 4ZE | 0.9130 |
346 | 1MC | 0.9129 |
347 | CNH | 0.9129 |
348 | BR9 | 0.9127 |
349 | HHQ | 0.9126 |
350 | NIE | 0.9126 |
351 | MWM | 0.9125 |
352 | M3T | 0.9125 |
353 | H95 | 0.9123 |
354 | XYD | 0.9123 |
355 | 4HS | 0.9121 |
356 | 4JJ | 0.9120 |
357 | VAH | 0.9117 |
358 | HSM | 0.9116 |
359 | 6UA | 0.9116 |
360 | TSZ | 0.9114 |
361 | NEQ | 0.9113 |
362 | 27Y | 0.9112 |
363 | A1U | 0.9111 |
364 | 286 | 0.9111 |
365 | ETF | 0.9110 |
366 | SAT | 0.9109 |
367 | 2MP | 0.9108 |
368 | 61G | 0.9106 |
369 | 34A | 0.9105 |
370 | R1X | 0.9103 |
371 | YCP | 0.9102 |
372 | PYD | 0.9102 |
373 | ICP | 0.9102 |
374 | BML | 0.9102 |
375 | RSF | 0.9101 |
376 | 4JN | 0.9096 |
377 | NCM | 0.9094 |
378 | AGU | 0.9093 |
379 | JZ5 | 0.9091 |
380 | J3K | 0.9087 |
381 | IPU | 0.9087 |
382 | 9CL | 0.9082 |
383 | BP9 | 0.9082 |
384 | 2YU | 0.9081 |
385 | 13D | 0.9078 |
386 | MWJ | 0.9077 |
387 | DZZ | 0.9076 |
388 | 3MC | 0.9076 |
389 | CRN | 0.9074 |
390 | 98J | 0.9073 |
391 | MTD | 0.9071 |
392 | IMR | 0.9070 |
393 | PAE | 0.9067 |
394 | PCA | 0.9066 |
395 | AKR | 0.9062 |
396 | PXO | 0.9060 |
397 | 5UC | 0.9058 |
398 | 5AC | 0.9055 |
399 | TFS | 0.9051 |
400 | YHO | 0.9051 |
401 | 43M | 0.9049 |
402 | OXQ | 0.9048 |
403 | P7I | 0.9047 |
404 | 3CL | 0.9046 |
405 | F50 | 0.9045 |
406 | MSF | 0.9045 |
407 | COM | 0.9043 |
408 | 3FA | 0.9041 |
409 | 60P | 0.9040 |
410 | MPI | 0.9039 |
411 | JZ9 | 0.9036 |
412 | NBZ | 0.9035 |
413 | HT4 | 0.9031 |
414 | 51F | 0.9031 |
415 | 2CO | 0.9029 |
416 | CRD | 0.9028 |
417 | MBD | 0.9028 |
418 | FPY | 0.9027 |
419 | 5JC | 0.9027 |
420 | FFP | 0.9026 |
421 | QOS | 0.9025 |
422 | ISU | 0.9020 |
423 | JZ1 | 0.9020 |
424 | OHG | 0.9020 |
425 | CP2 | 0.9018 |
426 | CIZ | 0.9018 |
427 | BZI | 0.9018 |
428 | 4JO | 0.9018 |
429 | R3W | 0.9017 |
430 | HVB | 0.9014 |
431 | GBD | 0.9014 |
432 | 0R1 | 0.9014 |
433 | 2CM | 0.9011 |
434 | 6NA | 0.9010 |
435 | MGX | 0.9008 |
436 | TM7 | 0.9008 |
437 | AX2 | 0.9008 |
438 | GVH | 0.9006 |
439 | 3CE | 0.9005 |
440 | VSO | 0.9004 |
441 | 47J | 0.9003 |
442 | DEN | 0.9002 |
443 | 2C9 | 0.9001 |
444 | FLM | 0.9001 |
445 | IOL | 0.9001 |
446 | MRZ | 0.9001 |
447 | 0CT | 0.9000 |
448 | BEZ | 0.8998 |
449 | GMN | 0.8997 |
450 | IUR | 0.8997 |
451 | BZF | 0.8996 |
452 | 3MH | 0.8995 |
453 | 14J | 0.8995 |
454 | TAN | 0.8994 |
455 | 2MY | 0.8994 |
456 | 9A4 | 0.8993 |
457 | IND | 0.8991 |
458 | NHY | 0.8988 |
459 | EFS | 0.8984 |
460 | GG6 | 0.8984 |
461 | 1XX | 0.8982 |
462 | LZ1 | 0.8982 |
463 | MPD | 0.8978 |
464 | NMU | 0.8974 |
465 | TM4 | 0.8972 |
466 | TZZ | 0.8971 |
467 | PZA | 0.8967 |
468 | TB0 | 0.8963 |
469 | IDM | 0.8963 |
470 | JZ7 | 0.8963 |
471 | 6MH | 0.8962 |
472 | 3SY | 0.8959 |
473 | 1PT | 0.8958 |
474 | 1DQ | 0.8957 |
475 | 2ZX | 0.8955 |
476 | NIO | 0.8954 |
477 | BAM | 0.8953 |
478 | MET | 0.8949 |
479 | 6PC | 0.8948 |
480 | 3AY | 0.8946 |
481 | 4SD | 0.8944 |
482 | MZW | 0.8944 |
483 | WDL | 0.8943 |
484 | IT2 | 0.8941 |
485 | H76 | 0.8938 |
486 | DUB | 0.8935 |
487 | COI | 0.8934 |
488 | TZL | 0.8934 |
489 | ZBT | 0.8934 |
490 | NCA | 0.8934 |
491 | Z6J | 0.8932 |
492 | 5ZE | 0.8925 |
493 | XYS | 0.8922 |
494 | 13X | 0.8921 |
495 | PG3 | 0.8915 |
496 | OPE | 0.8915 |
497 | UY7 | 0.8914 |
498 | XBT | 0.8910 |
499 | MZG | 0.8910 |
500 | ALF | 0.8910 |
501 | BEN | 0.8909 |
502 | DYA | 0.8907 |
503 | XYP | 0.8906 |
504 | ATO | 0.8902 |
505 | TCV | 0.8902 |
506 | 4JP | 0.8901 |
507 | VGL | 0.8900 |
508 | Y8I | 0.8899 |
509 | FUB | 0.8899 |
510 | 2RH | 0.8895 |
511 | DSS | 0.8892 |
512 | TLD | 0.8889 |
513 | ADE | 0.8887 |
514 | O7U | 0.8877 |
515 | XLS | 0.8875 |
516 | PGA | 0.8874 |
517 | 9SB | 0.8873 |
518 | JYD | 0.8869 |
519 | M6W | 0.8869 |
520 | M2H | 0.8866 |
521 | HBA | 0.8866 |
522 | XUL | 0.8864 |
523 | 8FH | 0.8863 |
524 | S0H | 0.8861 |
525 | FQI | 0.8860 |
526 | PAV | 0.8858 |
527 | ROR | 0.8857 |
528 | UYA | 0.8857 |
529 | 32O | 0.8856 |
530 | PCT | 0.8854 |
531 | AHR | 0.8854 |
532 | BR8 | 0.8853 |
533 | BXA | 0.8849 |
534 | TZE | 0.8849 |
535 | 7VD | 0.8845 |
536 | ERH | 0.8844 |
537 | BDR | 0.8840 |
538 | 54D | 0.8838 |
539 | 9X6 | 0.8838 |
540 | MMQ | 0.8835 |
541 | 1BP | 0.8835 |
542 | 3XX | 0.8831 |
543 | UNU | 0.8831 |
544 | 2XX | 0.8827 |
545 | NTN | 0.8819 |
546 | 5AN | 0.8819 |
547 | KYD | 0.8817 |
548 | AC0 | 0.8816 |
549 | 7HP | 0.8811 |
550 | TMH | 0.8809 |
551 | SS1 | 0.8809 |
552 | 34V | 0.8808 |
553 | MSE | 0.8806 |
554 | 4JL | 0.8804 |
555 | BZX | 0.8804 |
556 | 6AI | 0.8795 |
557 | C2A | 0.8792 |
558 | RIB | 0.8792 |
559 | 2K4 | 0.8789 |
560 | 7CZ | 0.8787 |
561 | M58 | 0.8787 |
562 | OXZ | 0.8786 |
563 | 4VP | 0.8786 |
564 | SAL | 0.8783 |
565 | TLA | 0.8783 |
566 | 11S | 0.8780 |
567 | 0TR | 0.8779 |
568 | T6C | 0.8779 |
569 | 5H1 | 0.8778 |
570 | 7MH | 0.8775 |
571 | 0MK | 0.8774 |
572 | 14O | 0.8772 |
573 | RUU | 0.8771 |
574 | QSC | 0.8770 |
575 | ES9 | 0.8770 |
576 | 5MB | 0.8770 |
577 | 5MI | 0.8769 |
578 | KMT | 0.8767 |
579 | PAF | 0.8764 |
580 | DMV | 0.8763 |
581 | FBA | 0.8763 |
582 | 94N | 0.8762 |
583 | RIP | 0.8762 |
584 | FYU | 0.8761 |
585 | 6HQ | 0.8761 |
586 | SEJ | 0.8757 |
587 | PBC | 0.8756 |
588 | HPA | 0.8755 |
589 | JIF | 0.8753 |
590 | PEP | 0.8751 |
591 | PBE | 0.8750 |
592 | OEM | 0.8746 |
593 | KPL | 0.8743 |
594 | 4XR | 0.8740 |
595 | F60 | 0.8737 |
596 | FK1 | 0.8736 |
597 | BTE | 0.8730 |
598 | KOJ | 0.8721 |
599 | BE2 | 0.8720 |
600 | IP0 | 0.8717 |
601 | HY1 | 0.8716 |
602 | RSO | 0.8715 |
603 | VNJ | 0.8711 |
604 | 4SV | 0.8710 |
605 | SS2 | 0.8709 |
606 | IFM | 0.8706 |
607 | DFB | 0.8706 |
608 | AZF | 0.8703 |
609 | SRT | 0.8700 |
610 | URP | 0.8700 |
611 | 2AS | 0.8694 |
612 | 7WG | 0.8689 |
613 | FAN | 0.8687 |
614 | 3U4 | 0.8686 |
615 | 9A7 | 0.8685 |
616 | 64K | 0.8684 |
617 | ABE | 0.8684 |
618 | 1LN | 0.8683 |
619 | ES6 | 0.8683 |
620 | H8N | 0.8681 |
621 | YTB | 0.8680 |
622 | 271 | 0.8678 |
623 | HIO | 0.8677 |
624 | ARA | 0.8675 |
625 | HMH | 0.8674 |
626 | BNS | 0.8674 |
627 | 3SK | 0.8673 |
628 | FP1 | 0.8672 |
629 | 9EW | 0.8669 |
630 | SNE | 0.8667 |
631 | FUC | 0.8658 |
632 | ZZT | 0.8656 |
633 | TH7 | 0.8652 |
634 | 8EZ | 0.8651 |
635 | C2B | 0.8651 |
636 | ICF | 0.8645 |
637 | F05 | 0.8641 |
638 | 1DV | 0.8633 |
639 | L3Q | 0.8632 |
640 | 1WD | 0.8630 |
641 | FUL | 0.8628 |
642 | 261 | 0.8626 |
643 | FPK | 0.8625 |
644 | MED | 0.8623 |
645 | HX3 | 0.8621 |
646 | PHB | 0.8620 |
647 | OK7 | 0.8620 |
648 | JKE | 0.8619 |
649 | XRG | 0.8617 |
650 | 3Z7 | 0.8610 |
651 | DFU | 0.8609 |
652 | PPV | 0.8609 |
653 | ARB | 0.8606 |
654 | 2TQ | 0.8595 |
655 | PEL | 0.8589 |
656 | I2M | 0.8587 |
657 | F81 | 0.8585 |
658 | HMU | 0.8583 |
659 | SKG | 0.8580 |
660 | 24B | 0.8578 |
661 | 260 | 0.8577 |
662 | JZ4 | 0.8574 |
663 | PEA | 0.8570 |
664 | 3NT | 0.8551 |
665 | CEE | 0.8546 |
666 | FUF | 0.8537 |
667 | MXN | 0.8527 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLV | 1.0257 |
2 | HAE | 1.0000 |
3 | J3K | 1.0000 |
4 | 61G | 1.0000 |
5 | 2A1 | 1.0000 |
6 | 1BP | 1.0000 |
7 | 2A3 | 1.0000 |
8 | EDO | 1.0000 |
9 | BRJ | 1.0000 |
10 | NOE | 1.0000 |
11 | MGX | 1.0000 |
12 | F50 | 1.0000 |
13 | BXA | 1.0000 |
14 | AGU | 1.0000 |
15 | PPI | 1.0000 |
16 | AKR | 1.0000 |
17 | NIE | 1.0000 |
18 | FAH | 1.0000 |
19 | GOA | 1.0000 |
20 | R3W | 1.0000 |
21 | NMU | 1.0000 |
22 | NHY | 1.0000 |
23 | F3V | 1.0000 |
24 | HVB | 1.0000 |
25 | ATO | 0.9993 |
26 | TSZ | 0.9961 |
27 | ALA | 0.9954 |
28 | OSM | 0.9953 |
29 | CP2 | 0.9916 |
30 | AOA | 0.9846 |
31 | AXO | 0.9840 |
32 | 3BR | 0.9835 |
33 | 9A4 | 0.9822 |
34 | PXO | 0.9818 |
35 | SAR | 0.9798 |
36 | GOL | 0.9787 |
37 | BU4 | 0.9767 |
38 | OXL | 0.9755 |
39 | NIS | 0.9748 |
40 | DAL | 0.9737 |
41 | OXM | 0.9733 |
42 | GXV | 0.9729 |
43 | BUA | 0.9721 |
44 | 3OH | 0.9719 |
45 | BMD | 0.9714 |
46 | BRP | 0.9711 |
47 | OXD | 0.9705 |
48 | TCV | 0.9704 |
49 | LAC | 0.9682 |
50 | 2OP | 0.9682 |
51 | PYR | 0.9679 |
52 | HGY | 0.9660 |
53 | QPT | 0.9660 |
54 | DCE | 0.9659 |
55 | NAK | 0.9647 |
56 | 6SP | 0.9642 |
57 | 1CB | 0.9640 |
58 | HBR | 0.9637 |
59 | ALQ | 0.9637 |
60 | HBS | 0.9620 |
61 | 4MZ | 0.9600 |
62 | 2HA | 0.9597 |
63 | PYM | 0.9596 |
64 | BAQ | 0.9588 |
65 | MEU | 0.9585 |
66 | 3GR | 0.9582 |
67 | 2MZ | 0.9581 |
68 | GBL | 0.9579 |
69 | BUQ | 0.9570 |
70 | BUO | 0.9557 |
71 | 3CL | 0.9532 |
72 | CRD | 0.9528 |
73 | 3MT | 0.9523 |
74 | HOW | 0.9521 |
75 | MR3 | 0.9519 |
76 | ABA | 0.9519 |
77 | 1MZ | 0.9512 |
78 | MMU | 0.9510 |
79 | 3ZS | 0.9509 |
80 | 2AI | 0.9505 |
81 | BUB | 0.9505 |
82 | ATQ | 0.9502 |
83 | JZ6 | 0.9501 |
84 | 3TR | 0.9493 |
85 | ACT | 0.9492 |
86 | ETF | 0.9490 |
87 | AMT | 0.9489 |
88 | 5Y9 | 0.9488 |
89 | 5KX | 0.9481 |
90 | 13D | 0.9474 |
91 | MTG | 0.9468 |
92 | CYS | 0.9457 |
93 | BYZ | 0.9442 |
94 | ITU | 0.9434 |
95 | BXO | 0.9429 |
96 | CB0 | 0.9427 |
97 | SO2 | 0.9425 |
98 | SLP | 0.9425 |
99 | HP4 | 0.9410 |
100 | XAP | 0.9404 |
101 | 3BB | 0.9398 |
102 | MZY | 0.9395 |
103 | TF4 | 0.9390 |
104 | PYZ | 0.9377 |
105 | N2O | 0.9375 |
106 | 5MP | 0.9367 |
107 | 9A7 | 0.9366 |
108 | ES3 | 0.9364 |
109 | 78T | 0.9358 |
110 | AF3 | 0.9357 |
111 | 2PO | 0.9353 |
112 | ACM | 0.9352 |
113 | IPA | 0.9348 |
114 | BEF | 0.9339 |
115 | VSO | 0.9338 |
116 | D2P | 0.9336 |
117 | ALF | 0.9326 |
118 | HSW | 0.9325 |
119 | PZO | 0.9319 |
120 | SEY | 0.9317 |
121 | 0CL | 0.9309 |
122 | TRI | 0.9307 |
123 | IMD | 0.9296 |
124 | BBU | 0.9282 |
125 | MSF | 0.9276 |
126 | MZ0 | 0.9268 |
127 | HUH | 0.9266 |
128 | MMQ | 0.9235 |
129 | MSM | 0.9230 |
130 | THR | 0.9220 |
131 | 2KT | 0.9218 |
132 | TAN | 0.9214 |
133 | 1AC | 0.9213 |
134 | SER | 0.9211 |
135 | TB0 | 0.9211 |
136 | CNH | 0.9209 |
137 | BBX | 0.9200 |
138 | PUT | 0.9192 |
139 | FW5 | 0.9192 |
140 | KCS | 0.9182 |
141 | HYN | 0.9182 |
142 | BVG | 0.9180 |
143 | DE2 | 0.9178 |
144 | DSN | 0.9164 |
145 | 03W | 0.9162 |
146 | DGY | 0.9162 |
147 | MTD | 0.9159 |
148 | HIU | 0.9155 |
149 | KG7 | 0.9153 |
150 | BVC | 0.9152 |
151 | FJO | 0.9147 |
152 | DXX | 0.9145 |
153 | XIX | 0.9143 |
154 | MB3 | 0.9134 |
155 | DBB | 0.9120 |
156 | A3B | 0.9120 |
157 | 3PY | 0.9118 |
158 | HAI | 0.9113 |
159 | NVI | 0.9111 |
160 | HUI | 0.9110 |
161 | B20 | 0.9108 |
162 | CXL | 0.9106 |
163 | CYH | 0.9106 |
164 | P1R | 0.9098 |
165 | A2Q | 0.9098 |
166 | 0PY | 0.9081 |
167 | BNZ | 0.9081 |
168 | CEJ | 0.9080 |
169 | CHT | 0.9074 |
170 | PRI | 0.9073 |
171 | ETX | 0.9072 |
172 | 25T | 0.9062 |
173 | 39J | 0.9057 |
174 | SMB | 0.9057 |
175 | HSL | 0.9054 |
176 | 24T | 0.9050 |
177 | 4AX | 0.9031 |
178 | 7EX | 0.9030 |
179 | L60 | 0.9028 |
180 | 1SP | 0.9026 |
181 | 8FH | 0.9024 |
182 | PHZ | 0.9023 |
183 | XPO | 0.9019 |
184 | 2HP | 0.9019 |
185 | 2EZ | 0.9013 |
186 | SGL | 0.9004 |
187 | FPO | 0.8999 |
188 | VN4 | 0.8993 |
189 | BTL | 0.8991 |
190 | HVQ | 0.8987 |
191 | TAU | 0.8986 |
192 | 2IM | 0.8985 |
193 | TMO | 0.8985 |
194 | IPH | 0.8983 |
195 | DTI | 0.8978 |
196 | EGD | 0.8976 |
197 | MCH | 0.8975 |
198 | E60 | 0.8974 |
199 | 03S | 0.8974 |
200 | DSS | 0.8968 |
201 | DMG | 0.8966 |
202 | MLA | 0.8965 |
203 | C5J | 0.8965 |
204 | HV2 | 0.8963 |
205 | C2N | 0.8963 |
206 | 8X3 | 0.8961 |
207 | 1DH | 0.8953 |
208 | MLI | 0.8952 |
209 | V1L | 0.8947 |
210 | 93B | 0.8943 |
211 | 9PO | 0.8942 |
212 | MMZ | 0.8940 |
213 | 4AP | 0.8936 |
214 | GB | 0.8936 |
215 | SSN | 0.8935 |
216 | LGA | 0.8933 |
217 | 2AP | 0.8932 |
218 | HVK | 0.8932 |
219 | PPF | 0.8931 |
220 | 3AP | 0.8930 |
221 | TAY | 0.8929 |
222 | HRZ | 0.8927 |
223 | PO4 | 0.8927 |
224 | MBN | 0.8919 |
225 | KSW | 0.8918 |
226 | TBU | 0.8917 |
227 | WOT | 0.8907 |
228 | DCY | 0.8904 |
229 | BF4 | 0.8901 |
230 | 3HL | 0.8899 |
231 | FUS | 0.8896 |
232 | ETM | 0.8887 |
233 | DMI | 0.8881 |
234 | 2HE | 0.8879 |
235 | HLT | 0.8876 |
236 | COM | 0.8875 |
237 | 3HR | 0.8868 |
238 | MLM | 0.8864 |
239 | GXE | 0.8857 |
240 | AAE | 0.8850 |
241 | HHN | 0.8850 |
242 | PIH | 0.8844 |
243 | 8CL | 0.8841 |
244 | P7I | 0.8841 |
245 | 2PA | 0.8840 |
246 | IVA | 0.8825 |
247 | 9XN | 0.8811 |
248 | POA | 0.8809 |
249 | 9SB | 0.8792 |
250 | WO6 | 0.8776 |
251 | TTO | 0.8755 |
252 | HGW | 0.8750 |
253 | P2D | 0.8688 |
254 | ART | 0.8686 |
255 | EFS | 0.8679 |
256 | 280 | 0.8605 |
257 | PEJ | 0.8598 |
This union binding pocket(no: 1) in the query (biounit: 4yki.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2RC8 | DSN | 40.2344 |
2 | 2RC8 | DSN | 40.2344 |
This union binding pocket(no: 2) in the query (biounit: 4yki.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |