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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 4 families. | |||||
1 | 4C6H | - | HE2 | C6 H14 O | CCCCCCO |
2 | 1K6E | - | 1BP | C3 H7 Br O | C[C@H](CBr.... |
3 | 2BFN | - | D2P | C3 H6 Cl2 O | C([C@@H](C.... |
4 | 1G42 | Ki = 0.97 mM | CP2 | C3 H6 Cl2 | C[C@@H](CC.... |
5 | 1G5F | Ki = 2.31 mM | DCE | C2 H4 Cl2 | C(CCl)Cl |
6 | 1K63 | - | BRP | C3 H5 Br O | C=C(CO)Br |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4F5Z | - | BEZ | C7 H6 O2 | c1ccc(cc1).... |
2 | 4C6H | - | HE2 | C6 H14 O | CCCCCCO |
3 | 2PSJ | Ki ~ 20 nM | CEI | C25 H21 N3 O3 | c1ccc(cc1).... |
4 | 1K6E | - | 1BP | C3 H7 Br O | C[C@H](CBr.... |
5 | 2BFN | - | D2P | C3 H6 Cl2 O | C([C@@H](C.... |
6 | 1G42 | Ki = 0.97 mM | CP2 | C3 H6 Cl2 | C[C@@H](CC.... |
7 | 1G5F | Ki = 2.31 mM | DCE | C2 H4 Cl2 | C(CCl)Cl |
8 | 1K63 | - | BRP | C3 H5 Br O | C=C(CO)Br |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CP2 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | F3V | 0.9987 |
2 | GLY | 0.9916 |
3 | TCV | 0.9891 |
4 | PPI | 0.9887 |
5 | 1BP | 0.9884 |
6 | R3W | 0.9872 |
7 | FAH | 0.9868 |
8 | ATO | 0.9859 |
9 | HAE | 0.9835 |
10 | BRP | 0.9827 |
11 | GOA | 0.9823 |
12 | J3K | 0.9815 |
13 | 2A1 | 0.9812 |
14 | 2A3 | 0.9797 |
15 | BXA | 0.9780 |
16 | F50 | 0.9775 |
17 | GLV | 0.9773 |
18 | 61G | 0.9771 |
19 | TSZ | 0.9752 |
20 | NIE | 0.9706 |
21 | AKR | 0.9705 |
22 | MGX | 0.9704 |
23 | HVB | 0.9704 |
24 | NMU | 0.9694 |
25 | AGU | 0.9627 |
26 | NHY | 0.9568 |
27 | ALA | 0.9543 |
28 | 9A4 | 0.9538 |
29 | CYS | 0.9533 |
30 | 3GR | 0.9523 |
31 | ALF | 0.9505 |
32 | MEU | 0.9459 |
33 | AF3 | 0.9449 |
34 | GXV | 0.9446 |
35 | GOL | 0.9446 |
36 | EGD | 0.9427 |
37 | D2P | 0.9422 |
38 | PXO | 0.9417 |
39 | BU4 | 0.9409 |
40 | ABA | 0.9406 |
41 | MCH | 0.9395 |
42 | OXM | 0.9377 |
43 | BMD | 0.9360 |
44 | AOA | 0.9334 |
45 | HBS | 0.9331 |
46 | HBR | 0.9320 |
47 | ALQ | 0.9314 |
48 | PYR | 0.9308 |
49 | KCS | 0.9299 |
50 | 3OH | 0.9298 |
51 | BUQ | 0.9296 |
52 | MMU | 0.9294 |
53 | BUA | 0.9278 |
54 | VN4 | 0.9276 |
55 | BEF | 0.9269 |
56 | 2OP | 0.9266 |
57 | 3BB | 0.9265 |
58 | BAL | 0.9264 |
59 | 2HA | 0.9261 |
60 | DAL | 0.9259 |
61 | 73M | 0.9249 |
62 | LAC | 0.9248 |
63 | SEY | 0.9241 |
64 | HGY | 0.9241 |
65 | ITU | 0.9239 |
66 | BUB | 0.9226 |
67 | DSS | 0.9223 |
68 | WO6 | 0.9223 |
69 | SAR | 0.9216 |
70 | OXL | 0.9216 |
71 | 78T | 0.9212 |
72 | NIS | 0.9200 |
73 | CRD | 0.9190 |
74 | OSM | 0.9189 |
75 | 3CL | 0.9182 |
76 | TF4 | 0.9175 |
77 | OXD | 0.9167 |
78 | HSW | 0.9152 |
79 | 2PO | 0.9151 |
80 | ATQ | 0.9150 |
81 | CNH | 0.9150 |
82 | EDO | 0.9130 |
83 | 5Y9 | 0.9130 |
84 | IPA | 0.9127 |
85 | SLP | 0.9110 |
86 | BRJ | 0.9106 |
87 | BAQ | 0.9103 |
88 | ACM | 0.9099 |
89 | XAP | 0.9094 |
90 | MTG | 0.9083 |
91 | BUO | 0.9079 |
92 | BBU | 0.9076 |
93 | CPT | 0.9074 |
94 | 13D | 0.9058 |
95 | ACT | 0.9054 |
96 | DCE | 0.9047 |
97 | MSF | 0.9046 |
98 | ETF | 0.9046 |
99 | 8FH | 0.9046 |
100 | NAK | 0.9037 |
101 | FW5 | 0.9035 |
102 | PYM | 0.9033 |
103 | 3MT | 0.9026 |
104 | 0CL | 0.9020 |
105 | SER | 0.9018 |
106 | TAN | 0.8994 |
107 | NOE | 0.8993 |
108 | AMT | 0.8990 |
109 | VSO | 0.8973 |
110 | GBL | 0.8970 |
111 | ISU | 0.8969 |
112 | DBB | 0.8957 |
113 | CB0 | 0.8948 |
114 | TB0 | 0.8947 |
115 | MZY | 0.8940 |
116 | QPT | 0.8940 |
117 | 1SP | 0.8933 |
118 | BXO | 0.8929 |
119 | AXO | 0.8919 |
120 | 1CB | 0.8918 |
121 | 3BR | 0.8908 |
122 | HIU | 0.8895 |
123 | THR | 0.8883 |
124 | CHT | 0.8864 |
125 | C2N | 0.8863 |
126 | 6SP | 0.8859 |
127 | DE2 | 0.8847 |
128 | 03W | 0.8841 |
129 | DGY | 0.8841 |
130 | 5MP | 0.8839 |
131 | JZ6 | 0.8833 |
132 | PUT | 0.8833 |
133 | 4MZ | 0.8830 |
134 | SGL | 0.8827 |
135 | MMQ | 0.8824 |
136 | BYZ | 0.8824 |
137 | A3B | 0.8821 |
138 | KG7 | 0.8819 |
139 | DCY | 0.8815 |
140 | 1AC | 0.8815 |
141 | 2KT | 0.8812 |
142 | 9A7 | 0.8812 |
143 | 3TR | 0.8812 |
144 | 5KX | 0.8807 |
145 | ETX | 0.8804 |
146 | MR3 | 0.8800 |
147 | 24T | 0.8794 |
148 | 1MZ | 0.8792 |
149 | ES3 | 0.8788 |
150 | 2MZ | 0.8772 |
151 | PYZ | 0.8761 |
152 | KSW | 0.8759 |
153 | DSN | 0.8754 |
154 | HOW | 0.8745 |
155 | DXX | 0.8740 |
156 | MTD | 0.8739 |
157 | HV2 | 0.8737 |
158 | 2HE | 0.8737 |
159 | CEJ | 0.8722 |
160 | BVC | 0.8722 |
161 | MMZ | 0.8718 |
162 | 3PY | 0.8718 |
163 | 8X3 | 0.8713 |
164 | MB3 | 0.8709 |
165 | SMB | 0.8702 |
166 | 2AI | 0.8699 |
167 | 25T | 0.8694 |
168 | HVQ | 0.8693 |
169 | HYN | 0.8681 |
170 | 39J | 0.8673 |
171 | HUI | 0.8669 |
172 | TAU | 0.8659 |
173 | NVI | 0.8657 |
174 | ETM | 0.8641 |
175 | BTL | 0.8635 |
176 | 3ZS | 0.8612 |
177 | P7I | 0.8606 |
178 | POA | 0.8591 |
179 | BVG | 0.8590 |
180 | 1DH | 0.8566 |
181 | DTI | 0.8563 |
182 | MLI | 0.8557 |
183 | COM | 0.8553 |
184 | 93B | 0.8552 |
185 | 2RA | 0.8551 |
186 | PRI | 0.8551 |
187 | 4AX | 0.8525 |
This union binding pocket(no: 1) in the query (biounit: 1g42.bio1) has 2 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1g42.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1g42.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |