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- 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 8 families. | |||||
1 | 3SKK | - | 4U7 | C7 H15 B F2 N O5 | [B-](CCCC[.... |
2 | 3GN0 | Ki = 3.9 mM | DMO | C6 H12 F2 N2 O2 | C(CC(C(F)F.... |
3 | 1WVA | Kd = 270 nM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
4 | 3KV2 | Kd = 47.51 nM | NNH | C5 H12 N4 O3 | [H]/N=C(/N.... |
5 | 2PHO | Kd > 0.1 mM | TSZ | C H5 N3 S | C(=S)(N)NN |
6 | 6V7D | ic50 = 22 nM | QR4 | C11 H24 B N2 O5 | [B-](CCC[C.... |
7 | 4IE1 | - | 1EC | C9 H21 B N O6 | [B-](CCCC[.... |
8 | 3MFW | Ki = 300 uM | B3U | C6 H10 N4 O2 | c1c([nH]c(.... |
9 | 3LP4 | Kd = 13100 nM | LYS | C6 H15 N2 O2 | C(CC[NH3+].... |
10 | 3GMZ | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
11 | 4GSZ | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
12 | 3SJT | - | 5AB | C7 H17 B N O5 | [B-](CCCC[.... |
13 | 2PLL | Kd = 5 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
14 | 3MFV | Ki = 3000 uM | Z70 | C7 H12 N4 O2 | c1c([nH]c(.... |
15 | 4GSV | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
16 | 3DJ8 | - | EXY | C8 H15 N O3 | C1[C@H](O1.... |
17 | 1WVB | - | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
18 | 4HWW | ic50 = 223 nM | X7A | C13 H28 B N2 O5 | [B-](CCCC[.... |
19 | 3E6V | Kd = 147 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
20 | 3THH | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
21 | 6V7E | ic50 = 2 nM | QRA | C12 H24 B N2 O5 | [B-](CCC[C.... |
22 | 3LP7 | Kd = 3600 nM | HAR | C6 H14 N4 O3 | C(C[C@@H](.... |
23 | 2AEB | Kd = 5 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
24 | 3THJ | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
25 | 6V7F | ic50 = 14 nM | QRJ | C12 H26 B N2 O5 | [B-](CCC[C.... |
26 | 3F80 | Kd = 60 uM | 6HN | C6 H12 N2 O4 | C(CC[N+](=.... |
27 | 3E6K | Kd = 7000 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
28 | 4HXQ | ic50 = 60 nM | X8A | C14 H30 B N2 O5 | [B-](CCCC[.... |
29 | 4GWD | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
30 | 6V7C | ic50 = 29 nM | QR1 | C11 H24 B N2 O5 | [B-](CCC[C.... |
31 | 4I06 | ic50 = 67 nM | X8A | C14 H30 B N2 O5 | [B-](CCCC[.... |
32 | 4IXV | ic50 = 240 nM | XA1 | C18 H29 B Cl N2 O5 | [B-](CCCC[.... |
33 | 4IE3 | ic50 = 980 nM | 1EE | C13 H28 B N2 O6 | [B-](CCCC[.... |
34 | 4IE2 | ic50 = 4500 nM | 1EC | C9 H21 B N O6 | [B-](CCCC[.... |
35 | 4HZE | ic50 = 509 nM | X7A | C13 H28 B N2 O5 | [B-](CCCC[.... |
36 | 6Q37 | ic50 = 440 nM | HE8 | C8 H18 B N2 O5 | [B-](CCC[C.... |
37 | 6Q39 | ic50 = 16 nM | HDQ | C14 H29 B N3 O5 | [B-](CCC[C.... |
38 | 4IXU | ic50 = 23 nM | 38I | C20 H30 B Cl2 N2 O5 | [B-](CCCC[.... |
39 | 1T5G | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
40 | 1D3V | Kd = 0.11 uM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
41 | 1HQG | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
42 | 1T4T | ic50 < 400 uM | DIR | C4 H10 N4 O3 | C([C@@H](C.... |
43 | 1T5F | Ki = 60 uM | DHH | C7 H15 N O4 | C(CCC(O)O).... |
44 | 1P8R | - | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
45 | 1HQ5 | Kd = 2.22 uM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
46 | 3E9B | Ki = 4500 nM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 4Q3S | Kd = 0.26 uM | X7A | C13 H28 B N2 O5 | [B-](CCCC[.... |
2 | 4Q42 | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
3 | 4Q40 | - | VAL | C5 H11 N O2 | CC(C)[C@@H.... |
4 | 4Q3U | Kd = 0.36 uM | NNH | C5 H12 N4 O3 | [H]/N=C(/N.... |
5 | 4Q41 | - | LYS | C6 H15 N2 O2 | C(CC[NH3+].... |
6 | 4Q3Q | Kd = 1.3 uM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
7 | 4Q3T | Kd = 0.33 uM | HAR | C6 H14 N4 O3 | C(C[C@@H](.... |
8 | 3SKK | - | 4U7 | C7 H15 B F2 N O5 | [B-](CCCC[.... |
9 | 3GN0 | Ki = 3.9 mM | DMO | C6 H12 F2 N2 O2 | C(CC(C(F)F.... |
10 | 1WVA | Kd = 270 nM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
11 | 3KV2 | Kd = 47.51 nM | NNH | C5 H12 N4 O3 | [H]/N=C(/N.... |
12 | 2PHO | Kd > 0.1 mM | TSZ | C H5 N3 S | C(=S)(N)NN |
13 | 6V7D | ic50 = 22 nM | QR4 | C11 H24 B N2 O5 | [B-](CCC[C.... |
14 | 4IE1 | - | 1EC | C9 H21 B N O6 | [B-](CCCC[.... |
15 | 3MFW | Ki = 300 uM | B3U | C6 H10 N4 O2 | c1c([nH]c(.... |
16 | 3LP4 | Kd = 13100 nM | LYS | C6 H15 N2 O2 | C(CC[NH3+].... |
17 | 3GMZ | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
18 | 4GSZ | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
19 | 3SJT | - | 5AB | C7 H17 B N O5 | [B-](CCCC[.... |
20 | 2PLL | Kd = 5 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
21 | 3MFV | Ki = 3000 uM | Z70 | C7 H12 N4 O2 | c1c([nH]c(.... |
22 | 4GSV | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
23 | 3DJ8 | - | EXY | C8 H15 N O3 | C1[C@H](O1.... |
24 | 1WVB | - | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
25 | 4HWW | ic50 = 223 nM | X7A | C13 H28 B N2 O5 | [B-](CCCC[.... |
26 | 3E6V | Kd = 147 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
27 | 3THH | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
28 | 6V7E | ic50 = 2 nM | QRA | C12 H24 B N2 O5 | [B-](CCC[C.... |
29 | 3LP7 | Kd = 3600 nM | HAR | C6 H14 N4 O3 | C(C[C@@H](.... |
30 | 2AEB | Kd = 5 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
31 | 3THJ | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
32 | 6V7F | ic50 = 14 nM | QRJ | C12 H26 B N2 O5 | [B-](CCC[C.... |
33 | 3F80 | Kd = 60 uM | 6HN | C6 H12 N2 O4 | C(CC[N+](=.... |
34 | 3E6K | Kd = 7000 nM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
35 | 4HXQ | ic50 = 60 nM | X8A | C14 H30 B N2 O5 | [B-](CCCC[.... |
36 | 4GWD | - | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
37 | 6V7C | ic50 = 29 nM | QR1 | C11 H24 B N2 O5 | [B-](CCC[C.... |
38 | 4I06 | ic50 = 67 nM | X8A | C14 H30 B N2 O5 | [B-](CCCC[.... |
39 | 4IXV | ic50 = 240 nM | XA1 | C18 H29 B Cl N2 O5 | [B-](CCCC[.... |
40 | 4IE3 | ic50 = 980 nM | 1EE | C13 H28 B N2 O6 | [B-](CCCC[.... |
41 | 4IE2 | ic50 = 4500 nM | 1EC | C9 H21 B N O6 | [B-](CCCC[.... |
42 | 4HZE | ic50 = 509 nM | X7A | C13 H28 B N2 O5 | [B-](CCCC[.... |
43 | 6Q37 | ic50 = 440 nM | HE8 | C8 H18 B N2 O5 | [B-](CCC[C.... |
44 | 6Q39 | ic50 = 16 nM | HDQ | C14 H29 B N3 O5 | [B-](CCC[C.... |
45 | 4IXU | ic50 = 23 nM | 38I | C20 H30 B Cl2 N2 O5 | [B-](CCCC[.... |
46 | 4IU4 | Ki ~ 10 uM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
47 | 4IU1 | Ki ~ 50 uM | NNH | C5 H12 N4 O3 | [H]/N=C(/N.... |
48 | 4IU5 | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
49 | 4IU0 | Ki = 1.3 uM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
50 | 1T5G | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
51 | 1D3V | Kd = 0.11 uM | ABH | C6 H15 B N O5 | [B-](CCCC[.... |
52 | 1HQG | - | ORN | C5 H12 N2 O2 | C(C[C@@H](.... |
53 | 1T4T | ic50 < 400 uM | DIR | C4 H10 N4 O3 | C([C@@H](C.... |
54 | 1T5F | Ki = 60 uM | DHH | C7 H15 N O4 | C(CCC(O)O).... |
55 | 1P8R | - | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
56 | 1HQ5 | Kd = 2.22 uM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
57 | 3E9B | Ki = 4500 nM | S2C | C5 H13 B N O5 S | [B-](CCSC[.... |
58 | 5ZEE | - | HAR | C6 H14 N4 O3 | C(C[C@@H](.... |
59 | 5ZEF | - | NVA | C5 H11 N O2 | CCC[C@@H](.... |
60 | 5CEV | - | LYS | C6 H15 N2 O2 | C(CC[NH3+].... |
61 | 3CEV | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | F3V | 1.0000 |
2 | HVB | 1.0000 |
3 | GOA | 1.0000 |
4 | PPI | 1.0000 |
5 | GLV | 1.0000 |
6 | HAE | 1.0000 |
7 | 2A1 | 1.0000 |
8 | AKR | 0.9982 |
9 | 61G | 0.9978 |
10 | ALA | 0.9969 |
11 | FAH | 0.9967 |
12 | GLY | 0.9961 |
13 | BRP | 0.9959 |
14 | NIE | 0.9951 |
15 | ATO | 0.9914 |
16 | MGX | 0.9910 |
17 | NMU | 0.9884 |
18 | NHY | 0.9884 |
19 | 1BP | 0.9877 |
20 | TCV | 0.9874 |
21 | F50 | 0.9850 |
22 | J3K | 0.9817 |
23 | R3W | 0.9811 |
24 | 2A3 | 0.9778 |
25 | CP2 | 0.9752 |
26 | 3GR | 0.9708 |
27 | GOL | 0.9706 |
28 | PXO | 0.9620 |
29 | MEU | 0.9583 |
30 | NIS | 0.9564 |
31 | AOA | 0.9560 |
32 | 2HA | 0.9556 |
33 | CYS | 0.9539 |
34 | ABA | 0.9538 |
35 | BXA | 0.9536 |
36 | AF3 | 0.9499 |
37 | GXV | 0.9490 |
38 | LAC | 0.9482 |
39 | 2OP | 0.9477 |
40 | BMD | 0.9475 |
41 | SEY | 0.9469 |
42 | BAL | 0.9467 |
43 | DAL | 0.9460 |
44 | 9A4 | 0.9455 |
45 | ACM | 0.9447 |
46 | MMU | 0.9447 |
47 | ACT | 0.9443 |
48 | PYR | 0.9443 |
49 | OXM | 0.9429 |
50 | HGY | 0.9423 |
51 | OXL | 0.9394 |
52 | OXD | 0.9381 |
53 | D2P | 0.9375 |
54 | 3BB | 0.9374 |
55 | BUA | 0.9369 |
56 | 3MT | 0.9354 |
57 | HBR | 0.9350 |
58 | KCS | 0.9347 |
59 | 3CL | 0.9341 |
60 | OSM | 0.9321 |
61 | SAR | 0.9319 |
62 | 1CB | 0.9317 |
63 | BU4 | 0.9316 |
64 | ALQ | 0.9315 |
65 | BUO | 0.9314 |
66 | BUB | 0.9314 |
67 | 3TR | 0.9312 |
68 | AMT | 0.9311 |
69 | TF4 | 0.9307 |
70 | BEF | 0.9306 |
71 | BAQ | 0.9304 |
72 | PYM | 0.9304 |
73 | 5Y9 | 0.9298 |
74 | ALF | 0.9286 |
75 | 78T | 0.9280 |
76 | MTG | 0.9278 |
77 | IPA | 0.9272 |
78 | AXO | 0.9272 |
79 | 2PO | 0.9264 |
80 | BUQ | 0.9263 |
81 | HOW | 0.9261 |
82 | 1MZ | 0.9256 |
83 | MR3 | 0.9256 |
84 | HBS | 0.9255 |
85 | MCH | 0.9251 |
86 | 6SP | 0.9249 |
87 | 2AI | 0.9243 |
88 | 4MZ | 0.9239 |
89 | NAK | 0.9235 |
90 | 2MZ | 0.9233 |
91 | GBL | 0.9223 |
92 | VN4 | 0.9222 |
93 | MZY | 0.9218 |
94 | ATQ | 0.9212 |
95 | ETF | 0.9207 |
96 | ITU | 0.9200 |
97 | EDO | 0.9197 |
98 | 5KX | 0.9195 |
99 | 5MP | 0.9189 |
100 | JZ6 | 0.9184 |
101 | HIU | 0.9175 |
102 | 3OH | 0.9157 |
103 | DSN | 0.9156 |
104 | BRJ | 0.9147 |
105 | CNH | 0.9140 |
106 | DCE | 0.9140 |
107 | DGY | 0.9137 |
108 | 13D | 0.9127 |
109 | PYZ | 0.9121 |
110 | SER | 0.9114 |
111 | BYZ | 0.9113 |
112 | NOE | 0.9108 |
113 | TAN | 0.9107 |
114 | EGD | 0.9101 |
115 | SLP | 0.9099 |
116 | ES3 | 0.9079 |
117 | QPT | 0.9078 |
118 | DXX | 0.9075 |
119 | TB0 | 0.9069 |
120 | HYN | 0.9067 |
121 | 3ZS | 0.9060 |
122 | 24T | 0.9044 |
123 | VSO | 0.9011 |
124 | XAP | 0.9007 |
125 | 03W | 0.8994 |
126 | DE2 | 0.8991 |
127 | MSF | 0.8990 |
128 | HSL | 0.8990 |
129 | FW5 | 0.8980 |
130 | 2KT | 0.8977 |
131 | 8FH | 0.8966 |
132 | CRD | 0.8960 |
133 | XIX | 0.8960 |
134 | CEJ | 0.8959 |
135 | HSW | 0.8957 |
136 | 25T | 0.8954 |
137 | CXL | 0.8950 |
138 | KG7 | 0.8949 |
139 | BXO | 0.8933 |
140 | 1SP | 0.8925 |
141 | CYH | 0.8921 |
142 | DCY | 0.8914 |
143 | 3BR | 0.8904 |
144 | HUI | 0.8897 |
145 | 1AC | 0.8897 |
146 | 3PY | 0.8895 |
147 | MMZ | 0.8895 |
148 | FPO | 0.8894 |
149 | DMG | 0.8887 |
150 | PZO | 0.8879 |
151 | 2HP | 0.8876 |
152 | 2RA | 0.8867 |
153 | HUH | 0.8866 |
154 | IMD | 0.8864 |
155 | 9XN | 0.8863 |
156 | MZ0 | 0.8860 |
157 | GB | 0.8852 |
158 | DBB | 0.8852 |
159 | SMB | 0.8847 |
160 | B20 | 0.8846 |
161 | THR | 0.8845 |
162 | WO6 | 0.8845 |
163 | A3B | 0.8839 |
164 | MB3 | 0.8839 |
165 | 03S | 0.8824 |
166 | 2PA | 0.8823 |
167 | FUS | 0.8812 |
168 | 7EX | 0.8810 |
169 | IPH | 0.8808 |
170 | KSW | 0.8803 |
171 | CB0 | 0.8800 |
172 | TRI | 0.8798 |
173 | 0PY | 0.8794 |
174 | PRI | 0.8791 |
175 | TBU | 0.8787 |
176 | DSS | 0.8786 |
177 | MTD | 0.8782 |
178 | ETX | 0.8777 |
179 | HAI | 0.8777 |
180 | 2IM | 0.8775 |
181 | MLI | 0.8772 |
182 | DTI | 0.8772 |
183 | BVC | 0.8766 |
184 | HVQ | 0.8766 |
185 | CHT | 0.8764 |
186 | HV2 | 0.8763 |
187 | 39J | 0.8761 |
188 | BNZ | 0.8760 |
189 | 0CL | 0.8759 |
190 | DMI | 0.8759 |
191 | TMO | 0.8753 |
192 | MMQ | 0.8751 |
193 | MBN | 0.8749 |
194 | PUT | 0.8744 |
195 | PE9 | 0.8736 |
196 | P1R | 0.8731 |
197 | HRZ | 0.8726 |
198 | C2N | 0.8725 |
199 | V1L | 0.8724 |
200 | 9A7 | 0.8724 |
201 | BVG | 0.8722 |
202 | 3AP | 0.8720 |
203 | A2Q | 0.8718 |
204 | 2AP | 0.8716 |
205 | GXE | 0.8713 |
206 | FJO | 0.8712 |
207 | L60 | 0.8711 |
208 | HVK | 0.8710 |
209 | WOT | 0.8709 |
210 | 4AP | 0.8707 |
211 | MLA | 0.8706 |
212 | 4AX | 0.8704 |
213 | 9PO | 0.8704 |
214 | LGA | 0.8702 |
215 | PHZ | 0.8702 |
216 | BF4 | 0.8695 |
217 | PO4 | 0.8684 |
218 | ART | 0.8661 |
219 | NVI | 0.8656 |
220 | ETM | 0.8645 |
221 | PEJ | 0.8644 |
222 | 93B | 0.8637 |
223 | C5J | 0.8631 |
224 | 2EZ | 0.8631 |
225 | 8CL | 0.8583 |
226 | HHN | 0.8576 |
227 | PPF | 0.8540 |
228 | 2HE | 0.8531 |
229 | P2D | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 6v7e.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6v7e.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6v7e.bio2) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 6v7e.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1WOG | 16D | 39.3443 |
2 | 1WOG | 16D | 39.3443 |