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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 1331 families. | |||||
1 | 6T7Z | ic50 = 55 nM | ACY MV5 ASA 4FB GLU THR GLY GLU | n/a | n/a |
2 | 5FNT | Kd = 0.67 uM | 0PL | C24 H23 Cl N4 O4 S | Cn1c2ccc(c.... |
3 | 4L7C | ic50 = 7.4 uM | 1VW | C26 H26 N6 O3 | c1ccc2c(c1.... |
4 | 5FNU | Kd = 0.0013 uM | L6I | C28 H30 N4 O6 S | Cc1ccc(cc1.... |
5 | 7C60 | Kd = 27 nM | NF3 | C6 H8 O4 | CCOC(=O)/C.... |
6 | 4ZY3 | - | K67 | C29 H30 N2 O7 S2 | CCOc1ccc(c.... |
7 | 7C5E | Kd = 8.4 nM | FUM | C4 H4 O4 | C(=C/C(=O).... |
8 | 5FZJ | - | 75K | C8 H7 N O3 | Cc1nc2c(o1.... |
9 | 6Z6A | Kd = 3.7 uM | Q9E | C23 H30 N4 O6 S | CC(=O)N1CC.... |
10 | 3ZGC | - | GLY ASP GLU GLU THR GLY GLU | n/a | n/a |
11 | 5FNR | Kd = 59 uM | XMS | C16 H14 Cl N3 O2 | Cn1c2ccc(c.... |
12 | 6QMC | - | J6H | C14 H12 Cl N O3 | c1cc(ccc1[.... |
13 | 5FNS | Kd = 4 uM | XYY | C19 H21 Cl N4 O4 S | Cn1c2ccc(c.... |
14 | 1X2R | Ka = 5510000 M^-1 | LEU ASP GLU GLU THR GLY GLU PHE LEU | n/a | n/a |
15 | 6QMD | ic50 = 170 uM | J6N | C16 H14 Cl N3 O2 | Cn1c2ccc(c.... |
16 | 6LRZ | Kd = 10 nM | EOU | C6 H8 O4 | COC(=O)/C=.... |
17 | 6UF0 | ic50 = 230 nM | Q5Y | C26 H24 N2 O8 S2 | COc1ccc(cc.... |
18 | 6V6Z | ic50 = 63 nM | Q5Y | C26 H24 N2 O8 S2 | COc1ccc(cc.... |
19 | 5FNQ | - | S0W | C9 H9 Cl O2 | c1cc(ccc1C.... |
20 | 6TYP | Kd = 2.7 nM | PKG | C28 H28 N4 O3 | CCn1c2ccc(.... |
21 | 6QME | ic50 = 44 uM | J6Q | C17 H16 Cl N3 O2 | Cc1cc(ccc1.... |
22 | 4L7D | ic50 = 0.75 uM | 1VX | C27 H30 N2 O4 | Cc1cccc2c1.... |
23 | 6TYM | Kd = 13.5 nM | 08A | C29 H30 N4 O3 | CCn1c2ccc(.... |
24 | 5FZN | - | FB2 | C6 H7 N O2 S | c1ccc(cc1).... |
25 | 5X54 | Kd = 10 uM | ACE GLU TRP TRP TRP | n/a | n/a |
26 | 6QMJ | ic50 = 0.069 uM | J6K | C26 H28 N4 O5 S | Cc1ccc(cc1.... |
27 | 4L7B | ic50 = 2.3 uM | 1VV | C26 H26 N2 O5 | c1ccc2c(c1.... |
28 | 4IQK | ic50 = 2.7 uM | IQK | C24 H22 N2 O6 S2 | COc1ccc(cc.... |
29 | 4XMB | Kd = 44 nM | 41P | C28 H28 N4 O8 S2 | COc1ccc(cc.... |
30 | 6QMK | ic50 = 0.047 uM | J8H | C27 H28 N4 O6 S | Cc1ccc(cc1.... |
31 | 6FMQ | - | ACE DYW GLU THR GLY GLU LEU | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 6T7Z | ic50 = 55 nM | ACY MV5 ASA 4FB GLU THR GLY GLU | n/a | n/a |
2 | 5FNT | Kd = 0.67 uM | 0PL | C24 H23 Cl N4 O4 S | Cn1c2ccc(c.... |
3 | 4L7C | ic50 = 7.4 uM | 1VW | C26 H26 N6 O3 | c1ccc2c(c1.... |
4 | 5FNU | Kd = 0.0013 uM | L6I | C28 H30 N4 O6 S | Cc1ccc(cc1.... |
5 | 7C60 | Kd = 27 nM | NF3 | C6 H8 O4 | CCOC(=O)/C.... |
6 | 4ZY3 | - | K67 | C29 H30 N2 O7 S2 | CCOc1ccc(c.... |
7 | 7C5E | Kd = 8.4 nM | FUM | C4 H4 O4 | C(=C/C(=O).... |
8 | 5FZJ | - | 75K | C8 H7 N O3 | Cc1nc2c(o1.... |
9 | 6Z6A | Kd = 3.7 uM | Q9E | C23 H30 N4 O6 S | CC(=O)N1CC.... |
10 | 3ZGC | - | GLY ASP GLU GLU THR GLY GLU | n/a | n/a |
11 | 5FNR | Kd = 59 uM | XMS | C16 H14 Cl N3 O2 | Cn1c2ccc(c.... |
12 | 6QMC | - | J6H | C14 H12 Cl N O3 | c1cc(ccc1[.... |
13 | 5FNS | Kd = 4 uM | XYY | C19 H21 Cl N4 O4 S | Cn1c2ccc(c.... |
14 | 1X2R | Ka = 5510000 M^-1 | LEU ASP GLU GLU THR GLY GLU PHE LEU | n/a | n/a |
15 | 6QMD | ic50 = 170 uM | J6N | C16 H14 Cl N3 O2 | Cn1c2ccc(c.... |
16 | 6LRZ | Kd = 10 nM | EOU | C6 H8 O4 | COC(=O)/C=.... |
17 | 6UF0 | ic50 = 230 nM | Q5Y | C26 H24 N2 O8 S2 | COc1ccc(cc.... |
18 | 6V6Z | ic50 = 63 nM | Q5Y | C26 H24 N2 O8 S2 | COc1ccc(cc.... |
19 | 5FNQ | - | S0W | C9 H9 Cl O2 | c1cc(ccc1C.... |
20 | 6TYP | Kd = 2.7 nM | PKG | C28 H28 N4 O3 | CCn1c2ccc(.... |
21 | 6QME | ic50 = 44 uM | J6Q | C17 H16 Cl N3 O2 | Cc1cc(ccc1.... |
22 | 4L7D | ic50 = 0.75 uM | 1VX | C27 H30 N2 O4 | Cc1cccc2c1.... |
23 | 6TYM | Kd = 13.5 nM | 08A | C29 H30 N4 O3 | CCn1c2ccc(.... |
24 | 5FZN | - | FB2 | C6 H7 N O2 S | c1ccc(cc1).... |
25 | 5X54 | Kd = 10 uM | ACE GLU TRP TRP TRP | n/a | n/a |
26 | 6QMJ | ic50 = 0.069 uM | J6K | C26 H28 N4 O5 S | Cc1ccc(cc1.... |
27 | 4L7B | ic50 = 2.3 uM | 1VV | C26 H26 N2 O5 | c1ccc2c(c1.... |
28 | 4IQK | ic50 = 2.7 uM | IQK | C24 H22 N2 O6 S2 | COc1ccc(cc.... |
29 | 4XMB | Kd = 44 nM | 41P | C28 H28 N4 O8 S2 | COc1ccc(cc.... |
30 | 6QMK | ic50 = 0.047 uM | J8H | C27 H28 N4 O6 S | Cc1ccc(cc1.... |
31 | 6FMQ | - | ACE DYW GLU THR GLY GLU LEU | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EOU | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | J9N | 0.9533 |
2 | AKG | 0.9503 |
3 | OGA | 0.9494 |
4 | FUM | 0.9422 |
5 | OKG | 0.9391 |
6 | URO | 0.9356 |
7 | 2HG | 0.9349 |
8 | PGH | 0.9343 |
9 | AL0 | 0.9329 |
10 | 5XA | 0.9325 |
11 | S2G | 0.9314 |
12 | 13P | 0.9309 |
13 | CFI | 0.9307 |
14 | ISZ | 0.9306 |
15 | 3OM | 0.9305 |
16 | 3OL | 0.9305 |
17 | SIN | 0.9305 |
18 | K34 | 0.9290 |
19 | BHH | 0.9289 |
20 | NTU | 0.9288 |
21 | IWT | 0.9288 |
22 | NF3 | 0.9280 |
23 | CPZ | 0.9270 |
24 | SHF | 0.9266 |
25 | SNU | 0.9255 |
26 | 650 | 0.9246 |
27 | PKU | 0.9228 |
28 | FXY | 0.9223 |
29 | G3P | 0.9220 |
30 | GLN | 0.9219 |
31 | PSE | 0.9219 |
32 | NMH | 0.9215 |
33 | MPV | 0.9210 |
34 | AG2 | 0.9205 |
35 | GJZ | 0.9203 |
36 | HX4 | 0.9201 |
37 | DQY | 0.9195 |
38 | BHO | 0.9194 |
39 | GLY GLY | 0.9181 |
40 | HX2 | 0.9168 |
41 | NSD | 0.9165 |
42 | G3H | 0.9162 |
43 | TZF | 0.9154 |
44 | DAV | 0.9149 |
45 | M45 | 0.9148 |
46 | SD4 | 0.9142 |
47 | LTL | 0.9141 |
48 | SOR | 0.9129 |
49 | DE5 | 0.9128 |
50 | NIZ | 0.9122 |
51 | 3YP | 0.9120 |
52 | PH3 | 0.9117 |
53 | GVY | 0.9112 |
54 | NWH | 0.9110 |
55 | GLU | 0.9110 |
56 | TYL | 0.9107 |
57 | DGL | 0.9106 |
58 | OAA | 0.9106 |
59 | 6XA | 0.9105 |
60 | FBM | 0.9103 |
61 | 4P5 | 0.9100 |
62 | 4MV | 0.9098 |
63 | KMH | 0.9093 |
64 | GP9 | 0.9091 |
65 | XIZ | 0.9090 |
66 | ACA | 0.9088 |
67 | 16D | 0.9083 |
68 | PO6 | 0.9083 |
69 | BNL | 0.9083 |
70 | OC9 | 0.9082 |
71 | LYS | 0.9074 |
72 | F4E | 0.9072 |
73 | 7BC | 0.9071 |
74 | L5V | 0.9069 |
75 | M3H | 0.9068 |
76 | HPN | 0.9067 |
77 | PIY | 0.9066 |
78 | N9J | 0.9065 |
79 | DGN | 0.9064 |
80 | MLT | 0.9063 |
81 | PIM | 0.9063 |
82 | 64Z | 0.9061 |
83 | MSL | 0.9060 |
84 | TAG | 0.9058 |
85 | GUA | 0.9057 |
86 | PHU | 0.9057 |
87 | HQJ | 0.9057 |
88 | LMR | 0.9055 |
89 | 3PG | 0.9052 |
90 | KQY | 0.9050 |
91 | N6C | 0.9040 |
92 | 4LR | 0.9039 |
93 | SDD | 0.9038 |
94 | TYR | 0.9037 |
95 | 152 | 0.9034 |
96 | I3E | 0.9025 |
97 | KDG | 0.9025 |
98 | SME | 0.9024 |
99 | SHO | 0.9011 |
100 | 1GP | 0.9010 |
101 | FBJ | 0.9010 |
102 | HIS | 0.9009 |
103 | F9P | 0.9007 |
104 | FQI | 0.9004 |
105 | PPY | 0.9003 |
106 | PSJ | 0.9003 |
107 | DZA | 0.9002 |
108 | LEU | 0.8985 |
109 | 0NX | 0.8976 |
110 | O45 | 0.8973 |
111 | TYE | 0.8968 |
112 | PHE | 0.8965 |
113 | GLO | 0.8963 |
114 | 0BP | 0.8958 |
115 | GRQ | 0.8958 |
116 | ORN | 0.8957 |
117 | GOJ | 0.8952 |
118 | PRA | 0.8952 |
119 | TPA | 0.8950 |
120 | I1E | 0.8949 |
121 | DHI | 0.8937 |
122 | XRG | 0.8934 |
123 | VKC | 0.8934 |
124 | FUD | 0.8933 |
125 | HGA | 0.8933 |
126 | MSR | 0.8928 |
127 | HDH | 0.8926 |
128 | 7C3 | 0.8925 |
129 | HC4 | 0.8925 |
130 | X1S | 0.8919 |
131 | HSO | 0.8915 |
132 | MEQ | 0.8914 |
133 | HL5 | 0.8914 |
134 | 0VT | 0.8913 |
135 | ONH | 0.8912 |
136 | HCI | 0.8912 |
137 | OCT | 0.8910 |
138 | MHN | 0.8910 |
139 | 49F | 0.8907 |
140 | OTR | 0.8907 |
141 | PGA | 0.8901 |
142 | TCA | 0.8898 |
143 | OEG | 0.8896 |
144 | 6NA | 0.8882 |
145 | CCE | 0.8881 |
146 | TT4 | 0.8879 |
147 | 492 | 0.8877 |
148 | A5E | 0.8874 |
149 | ASP | 0.8871 |
150 | KTJ | 0.8868 |
151 | CCD | 0.8862 |
152 | SEP | 0.8860 |
153 | J9T | 0.8854 |
154 | ENO | 0.8854 |
155 | TIH | 0.8854 |
156 | HIC | 0.8850 |
157 | 3PP | 0.8849 |
158 | SPD | 0.8837 |
159 | S7S | 0.8836 |
160 | OOG | 0.8834 |
161 | DYA | 0.8833 |
162 | OCA | 0.8831 |
163 | ANN | 0.8830 |
164 | GGB | 0.8829 |
165 | TEG | 0.8828 |
166 | PBN | 0.8827 |
167 | HPV | 0.8827 |
168 | S8V | 0.8825 |
169 | DIR | 0.8825 |
170 | 1SH | 0.8823 |
171 | AT3 | 0.8820 |
172 | NYL | 0.8817 |
173 | ARG | 0.8815 |
174 | AOS | 0.8812 |
175 | EN1 | 0.8807 |
176 | J6W | 0.8806 |
177 | 9ON | 0.8805 |
178 | PG0 | 0.8804 |
179 | 3H2 | 0.8802 |
180 | HHI | 0.8801 |
181 | CHH | 0.8795 |
182 | AEF | 0.8794 |
183 | NLE | 0.8794 |
184 | B40 | 0.8791 |
185 | 7UC | 0.8790 |
186 | PAC | 0.8789 |
187 | QMP | 0.8789 |
188 | HG3 | 0.8784 |
189 | ASN | 0.8784 |
190 | 069 | 0.8776 |
191 | FOC | 0.8776 |
192 | PFF | 0.8773 |
193 | 9GB | 0.8773 |
194 | LLH | 0.8772 |
195 | 2BX | 0.8771 |
196 | DHM | 0.8767 |
197 | AOT | 0.8763 |
198 | MET | 0.8763 |
199 | X1R | 0.8761 |
200 | MAH | 0.8758 |
201 | KMT | 0.8753 |
202 | LYN | 0.8751 |
203 | OK7 | 0.8748 |
204 | MTL | 0.8746 |
205 | 2FM | 0.8745 |
206 | NM2 | 0.8745 |
207 | HL4 | 0.8743 |
208 | FEH | 0.8741 |
209 | 6TZ | 0.8741 |
210 | MF3 | 0.8740 |
211 | LEA | 0.8740 |
212 | HFA | 0.8737 |
213 | BNF | 0.8735 |
214 | BHL | 0.8732 |
215 | TB8 | 0.8725 |
216 | DAR | 0.8722 |
217 | CCU | 0.8721 |
218 | COI | 0.8719 |
219 | 45L | 0.8718 |
220 | 3S5 | 0.8717 |
221 | 129 | 0.8716 |
222 | 1L5 | 0.8715 |
223 | P80 | 0.8714 |
224 | MLZ | 0.8713 |
225 | 7MU | 0.8713 |
226 | M6H | 0.8713 |
227 | 4V2 | 0.8709 |
228 | ABU | 0.8708 |
229 | 4LW | 0.8703 |
230 | MPJ | 0.8700 |
231 | PEP | 0.8699 |
232 | E79 | 0.8698 |
233 | HNK | 0.8697 |
234 | HNL | 0.8697 |
235 | CIR | 0.8691 |
236 | 37Z | 0.8690 |
237 | ENV | 0.8689 |
238 | RA7 | 0.8681 |
239 | E4P | 0.8679 |
240 | FOM | 0.8679 |
241 | NFA | 0.8677 |
242 | L99 | 0.8672 |
243 | M4T | 0.8670 |
244 | LPK | 0.8669 |
245 | 2F6 | 0.8664 |
246 | C1M | 0.8648 |
247 | PZM | 0.8642 |
248 | 1X4 | 0.8639 |
249 | 795 | 0.8638 |
250 | IP8 | 0.8636 |
251 | AMH | 0.8630 |
252 | QFJ | 0.8628 |
253 | 4BF | 0.8625 |
254 | K7M | 0.8625 |
255 | DPN | 0.8623 |
256 | HPP | 0.8622 |
257 | RBJ | 0.8622 |
258 | YPN | 0.8622 |
259 | GLY GLY GLY | 0.8621 |
260 | RAT | 0.8616 |
261 | 2RH | 0.8616 |
262 | HP6 | 0.8615 |
263 | GWM | 0.8613 |
264 | DAL DAL | 0.8609 |
265 | 1CO | 0.8606 |
266 | A8C | 0.8598 |
267 | A29 | 0.8598 |
268 | BHL BHL | 0.8597 |
269 | MEV | 0.8592 |
270 | KVV | 0.8590 |
271 | HNH | 0.8583 |
272 | 3SL | 0.8582 |
273 | P81 | 0.8576 |
274 | 4JQ | 0.8552 |
275 | 2CO | 0.8547 |
276 | XOG | 0.8542 |
This union binding pocket(no: 1) in the query (biounit: 5fnu.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |