- 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 4 families. | |||||
1 | 6BU1 | ic50 = 0.06 uM | E9S | C10 H7 Br O5 | c1cc(c(c(c.... |
2 | 5C9W | - | 4Z3 | C8 H7 Br N2 O2 | c1ccc(c(c1.... |
3 | 6C8P | ic50 = 0.2 uM | EQA | C10 H7 F O4 | c1ccc(c(c1.... |
4 | 5DRC | - | 5ER | C12 H9 N O4 | c1ccc2c(c1.... |
5 | 5DX7 | - | 5H6 | C8 H4 Cl N O3 S | c1cc(sc1c2.... |
6 | 5ECV | - | 5M2 | C13 H11 N O4 | Cc1c2cc[nH.... |
7 | 5CBB | - | 4ZF | C12 H9 N3 O2 | c1ccc2c(c1.... |
8 | 5C7V | - | PYC | C5 H4 N O2 | c1cc([nH]c.... |
9 | 6C7B | ic50 = 1.5 uM | ENY | C15 H12 O5 | COc1ccc2cc.... |
10 | 5CEW | - | 6MW | C9 H10 N2 O2 S | c1cnccc1[C.... |
11 | 5CAK | - | 4Z9 | C11 H11 N O3 | c1ccc2c(c1.... |
12 | 6ASU | ic50 = 6.1 uM | BVS | C11 H10 O4 | Cc1ccc(cc1.... |
13 | 6AU9 | ic50 = 1.1 uM | BXS | C12 H10 O6 | c1cc2c(cc1.... |
14 | 5CJM | - | 4WL | C7 H5 N O2 S | c1csc2c1[n.... |
15 | 6DL9 | ic50 = 1 uM | GXD | C10 H6 Cl2 O4 | c1cc(c(c(c.... |
16 | 5T8G | - | 4Z0 | C9 H6 O5 S | c1cc(sc1)C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 6BU1 | ic50 = 0.06 uM | E9S | C10 H7 Br O5 | c1cc(c(c(c.... |
2 | 5C9W | - | 4Z3 | C8 H7 Br N2 O2 | c1ccc(c(c1.... |
3 | 6C8P | ic50 = 0.2 uM | EQA | C10 H7 F O4 | c1ccc(c(c1.... |
4 | 5DRC | - | 5ER | C12 H9 N O4 | c1ccc2c(c1.... |
5 | 5DX7 | - | 5H6 | C8 H4 Cl N O3 S | c1cc(sc1c2.... |
6 | 5ECV | - | 5M2 | C13 H11 N O4 | Cc1c2cc[nH.... |
7 | 5CBB | - | 4ZF | C12 H9 N3 O2 | c1ccc2c(c1.... |
8 | 5C7V | - | PYC | C5 H4 N O2 | c1cc([nH]c.... |
9 | 2GQ3 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
10 | 5E9X | - | 5LA | C7 H4 Cl N O2 S | c1c2cc(sc2.... |
11 | 5C9U | - | 4Z1 | C8 H6 Cl2 N2 O3 | c1cc(c(cc1.... |
12 | 6BA7 | ic50 = 0.007 uM | D1Y | C10 H7 Cl O5 | c1cc(c(cc1.... |
13 | 5CBI | - | 4ZC | C7 H4 Cl N O | c1cc(c(cc1.... |
14 | 1N8I | - | GLV | C2 H2 O3 | C(=O)C(=O).... |
15 | 5C9R | - | 4YZ | C9 H9 Cl O2 S | c1cc(ccc1S.... |
16 | 5CBJ | - | 4ZD | C9 H8 O2 S | c1ccc(cc1).... |
17 | 5CAH | - | 4ZA | C7 H5 N O2 S | c1csc2c1cc.... |
18 | 5C9X | - | 4Z4 | C7 H3 Cl2 F O2 | c1c(c(cc(c.... |
19 | 6AS6 | ic50 = 15.2 uM | BSV | C14 H14 O4 | Cc1ccc(cc1.... |
20 | 5CJN | - | 52F | C11 H10 N2 O3 | c1ccc2c(c1.... |
21 | 6DNP | ic50 = 6.6 uM | GZV | C11 H8 F2 O4 | Cc1ccc(c(c.... |
22 | 5CCZ | - | 50C | C10 H10 F N3 | Cc1c(n[nH].... |
23 | 6DKO | ic50 = 1.6 uM | GXG | C10 H6 F2 O4 | c1cc(c(c(c.... |
24 | 6C6O | ic50 = 0.005 uM | ENG | C10 H7 Br O5 | c1cc(c(cc1.... |
25 | 6APZ | ic50 = 0.15 uM | BQ4 | C10 H8 O5 | c1cc(cc(c1.... |
26 | 6AXB | ic50 = 0.5 uM | C0V | C14 H10 O4 | c1ccc2cc(c.... |
27 | 6C7B | ic50 = 1.5 uM | ENY | C15 H12 O5 | COc1ccc2cc.... |
28 | 5CEW | - | 6MW | C9 H10 N2 O2 S | c1cnccc1[C.... |
29 | 5CAK | - | 4Z9 | C11 H11 N O3 | c1ccc2c(c1.... |
30 | 6ASU | ic50 = 6.1 uM | BVS | C11 H10 O4 | Cc1ccc(cc1.... |
31 | 6AU9 | ic50 = 1.1 uM | BXS | C12 H10 O6 | c1cc2c(cc1.... |
32 | 5CJM | - | 4WL | C7 H5 N O2 S | c1csc2c1[n.... |
33 | 6DL9 | ic50 = 1 uM | GXD | C10 H6 Cl2 O4 | c1cc(c(c(c.... |
34 | 5T8G | - | 4Z0 | C9 H6 O5 S | c1cc(sc1)C.... |
35 | 1D8C | - | SOR | C6 H14 O6 | C([C@@H]([.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4Z3 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 0NX | 0.9371 |
2 | IWT | 0.9311 |
3 | HX4 | 0.9276 |
4 | HL4 | 0.9271 |
5 | 7VP | 0.9236 |
6 | 1A7 | 0.9205 |
7 | CIY | 0.9201 |
8 | 55D | 0.9200 |
9 | TB8 | 0.9199 |
10 | 6J5 | 0.9197 |
11 | RA7 | 0.9191 |
12 | J9N | 0.9190 |
13 | H4E | 0.9187 |
14 | PQT | 0.9187 |
15 | L22 | 0.9178 |
16 | 61M | 0.9125 |
17 | G14 | 0.9120 |
18 | PPY | 0.9113 |
19 | CK2 | 0.9105 |
20 | PUE | 0.9101 |
21 | ZZA | 0.9090 |
22 | FCD | 0.9084 |
23 | AMR | 0.9083 |
24 | GO2 | 0.9081 |
25 | TYR | 0.9080 |
26 | N2I | 0.9078 |
27 | PBN | 0.9070 |
28 | BQ2 | 0.9068 |
29 | 795 | 0.9055 |
30 | GVY | 0.9054 |
31 | D9Z | 0.9041 |
32 | EGR | 0.9037 |
33 | FF2 | 0.9036 |
34 | B1J | 0.9031 |
35 | C9M | 0.9023 |
36 | D3G | 0.9022 |
37 | GB4 | 0.9022 |
38 | 2FX | 0.9013 |
39 | J6W | 0.9007 |
40 | YZM | 0.8999 |
41 | N9J | 0.8995 |
42 | DHC | 0.8984 |
43 | KMY | 0.8983 |
44 | TT4 | 0.8979 |
45 | 1L5 | 0.8979 |
46 | ODK | 0.8977 |
47 | 4LV | 0.8965 |
48 | ALE | 0.8963 |
49 | 7MX | 0.8960 |
50 | F4E | 0.8958 |
51 | MD6 | 0.8958 |
52 | VXX | 0.8957 |
53 | L13 | 0.8955 |
54 | EYV | 0.8949 |
55 | LZ5 | 0.8944 |
56 | FC2 | 0.8942 |
57 | N7I | 0.8941 |
58 | 492 | 0.8940 |
59 | GT4 | 0.8937 |
60 | JMG | 0.8928 |
61 | 4LW | 0.8926 |
62 | LVD | 0.8925 |
63 | 92G | 0.8924 |
64 | HC4 | 0.8923 |
65 | HFA | 0.8922 |
66 | R2P | 0.8917 |
67 | TJM | 0.8917 |
68 | C53 | 0.8916 |
69 | A7H | 0.8915 |
70 | PHE | 0.8912 |
71 | 4XF | 0.8904 |
72 | 36M | 0.8902 |
73 | P7Y | 0.8897 |
74 | I2E | 0.8891 |
75 | XDE | 0.8889 |
76 | E7S | 0.8886 |
77 | TCA | 0.8882 |
78 | KLS | 0.8879 |
79 | R9Y | 0.8877 |
80 | 3H2 | 0.8877 |
81 | 3VQ | 0.8876 |
82 | IPO | 0.8871 |
83 | 5VU | 0.8869 |
84 | 6Q3 | 0.8869 |
85 | D2G | 0.8866 |
86 | KLE | 0.8866 |
87 | E35 | 0.8858 |
88 | S7S | 0.8858 |
89 | DAH | 0.8857 |
90 | KTJ | 0.8856 |
91 | P81 | 0.8856 |
92 | 97T | 0.8853 |
93 | D8Q | 0.8847 |
94 | LDP | 0.8842 |
95 | J9Q | 0.8841 |
96 | B21 | 0.8835 |
97 | CH9 | 0.8831 |
98 | 6ZX | 0.8830 |
99 | 268 | 0.8829 |
100 | CFA | 0.8829 |
101 | B40 | 0.8821 |
102 | LNR | 0.8818 |
103 | NFA | 0.8815 |
104 | PJW | 0.8810 |
105 | YE6 | 0.8809 |
106 | JPQ | 0.8805 |
107 | E1P | 0.8803 |
108 | CK1 | 0.8802 |
109 | PH3 | 0.8802 |
110 | ZME | 0.8799 |
111 | JGB | 0.8784 |
112 | S3C | 0.8777 |
113 | FHV | 0.8776 |
114 | BNL | 0.8775 |
115 | 6HO | 0.8775 |
116 | EN1 | 0.8772 |
117 | GB5 | 0.8772 |
118 | ENO | 0.8771 |
119 | 6FZ | 0.8769 |
120 | 5OO | 0.8769 |
121 | 5VL | 0.8767 |
122 | SJK | 0.8767 |
123 | 4BX | 0.8767 |
124 | SOR | 0.8765 |
125 | A5E | 0.8759 |
126 | TRP | 0.8758 |
127 | OSB | 0.8756 |
128 | 27K | 0.8753 |
129 | 6N4 | 0.8744 |
130 | 4I8 | 0.8743 |
131 | 5O6 | 0.8742 |
132 | 2HC | 0.8742 |
133 | A7K | 0.8740 |
134 | 6MW | 0.8738 |
135 | I3E | 0.8738 |
136 | QUS | 0.8735 |
137 | F4K | 0.8734 |
138 | F06 | 0.8733 |
139 | 2D2 | 0.8730 |
140 | 28A | 0.8729 |
141 | 8CC | 0.8728 |
142 | 52C | 0.8726 |
143 | CXH | 0.8725 |
144 | NK5 | 0.8725 |
145 | 9ZE | 0.8725 |
146 | SQ4 | 0.8725 |
147 | JCZ | 0.8720 |
148 | DPN | 0.8716 |
149 | 3YP | 0.8714 |
150 | N2Z | 0.8711 |
151 | YPN | 0.8707 |
152 | 0K7 | 0.8706 |
153 | IOP | 0.8705 |
154 | 8ZE | 0.8702 |
155 | ARG | 0.8699 |
156 | CCV | 0.8698 |
157 | 1PS | 0.8698 |
158 | GOE | 0.8697 |
159 | KYN | 0.8693 |
160 | 2GQ | 0.8692 |
161 | 1XS | 0.8690 |
162 | D1Y | 0.8687 |
163 | 6SD | 0.8682 |
164 | 0JD | 0.8679 |
165 | FMQ | 0.8674 |
166 | PRZ | 0.8673 |
167 | XI7 | 0.8671 |
168 | 9FH | 0.8671 |
169 | HNH | 0.8668 |
170 | S8D | 0.8664 |
171 | TIH | 0.8661 |
172 | 1QP | 0.8661 |
173 | CPZ | 0.8659 |
174 | X48 | 0.8649 |
175 | Z5P | 0.8647 |
176 | ONR | 0.8646 |
177 | DC5 | 0.8643 |
178 | 50C | 0.8639 |
179 | 1WC | 0.8639 |
180 | 363 | 0.8637 |
181 | J27 | 0.8633 |
182 | PLP | 0.8632 |
183 | STX | 0.8631 |
184 | MS9 | 0.8625 |
185 | ONH | 0.8621 |
186 | XDK | 0.8615 |
187 | FZM | 0.8613 |
188 | 6HP | 0.8611 |
189 | 7OD | 0.8604 |
190 | NFM | 0.8599 |
191 | SYE | 0.8599 |
192 | D1G | 0.8591 |
193 | BP7 | 0.8589 |
194 | 4FF | 0.8588 |
195 | 505 | 0.8586 |
196 | N4E | 0.8576 |
197 | 9BF | 0.8570 |
198 | 657 | 0.8562 |
199 | 3VW | 0.8561 |
200 | BY5 | 0.8560 |
201 | K82 | 0.8558 |
202 | 5H6 | 0.8555 |
203 | 8D6 | 0.8554 |
204 | ZIP | 0.8546 |
205 | SB7 | 0.8545 |
206 | 7MW | 0.8544 |
207 | R9S | 0.8531 |
208 | SOJ | 0.8527 |
209 | IOS | 0.8526 |
210 | 0LO | 0.8520 |