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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 24 families. | |||||
1 | 4FPE | - | 0H9 | C10 H15 N O4 S | COc1ccc(cc.... |
2 | 4FPH | - | 0V7 | C9 H12 F N O3 S | c1cc(cc(c1.... |
3 | 2JKB | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
4 | 4FPF | ic50 = 38.9 uM | JKK | C9 H12 Cl N O3 S | c1cc(cc(c1.... |
5 | 4FOQ | - | TAU | C2 H7 N O3 S | C(CS(=O)(=.... |
6 | 4FPC | - | MFY | C9 H12 Cl N O3 S | c1cc(ccc1C.... |
7 | 4FOY | - | D53 | C9 H13 N O3 S | c1ccc(cc1).... |
8 | 4FPL | - | 7HV | C9 H11 Cl2 N O3 S | c1cc(c(cc1.... |
9 | 4FOW | - | A20 | C3 H9 N O3 S | C(CN)CS(=O.... |
10 | 4FPJ | - | D8I | C10 H15 N O4 S | COc1cccc(c.... |
11 | 4FPK | ic50 = 57.4 uM | IJ1 | C10 H15 N O3 S | Cc1cccc(c1.... |
12 | 4FQ4 | - | IJ4 | C10 H14 F N O3 S | Cc1cc(ccc1.... |
13 | 4FPY | - | 0V8 | C9 H12 Br N O3 S | c1cc(cc(c1.... |
14 | 4FP2 | - | IJ6 | C9 H19 N O3 S | C1CCC(CC1).... |
15 | 2VW1 | Ki = 0.3 mM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 2BF6 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
2 | 2YA8 | Ki = 1.77 uM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
3 | 2YA7 | Ki = 0.72 mM | ZMR | C12 H20 N4 O7 | [H]/N=C(N).... |
4 | 2YA5 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
5 | 2YA6 | Ki = 2 uM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
6 | 7A5X | - | R7H | C18 H30 N4 O8 S | CCOCCn1cc(.... |
7 | 2VVZ | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
8 | 3H73 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
9 | 3H72 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
10 | 4FP2 | - | IJ6 | C9 H19 N O3 S | C1CCC(CC1).... |
11 | 2VW1 | Ki = 0.3 mM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
12 | 6QZH | Kd = 3 nM | JLW | C22 H29 N5 O5 S | Cc1ccc(c(c.... |
13 | 4X49 | ic50 = 0.0296 mM | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
14 | 1SLI | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | D53 | 0.9652 |
2 | 3CX | 0.9531 |
3 | BSA | 0.9412 |
4 | 0V7 | 0.9409 |
5 | IJ1 | 0.9402 |
6 | JKK | 0.9385 |
7 | LPB | 0.9356 |
8 | 0V8 | 0.9351 |
9 | LPA | 0.9341 |
10 | 5PV | 0.9300 |
11 | GHQ | 0.9283 |
12 | 9J6 | 0.9207 |
13 | 0QA | 0.9197 |
14 | KPV | 0.9174 |
15 | 7HV | 0.9173 |
16 | MFY | 0.9164 |
17 | IJ4 | 0.9161 |
18 | OJD | 0.9139 |
19 | WA1 | 0.9138 |
20 | M3L | 0.9132 |
21 | RB7 | 0.9098 |
22 | 6P3 | 0.9067 |
23 | CT0 | 0.9065 |
24 | D8I | 0.9061 |
25 | DAR | 0.9054 |
26 | 72D | 0.9046 |
27 | HPK | 0.9045 |
28 | FHV | 0.9044 |
29 | EYJ | 0.9043 |
30 | HPZ | 0.9040 |
31 | HAR | 0.9036 |
32 | D4G | 0.9025 |
33 | T03 | 0.9019 |
34 | HSA | 0.9018 |
35 | JX7 | 0.9015 |
36 | ARG | 0.9005 |
37 | CIR | 0.9004 |
38 | S0A | 0.9001 |
39 | BSU | 0.8998 |
40 | 5TO | 0.8997 |
41 | HRG | 0.8996 |
42 | PHQ DAL | 0.8988 |
43 | IAR | 0.8983 |
44 | ZE7 | 0.8982 |
45 | NPI | 0.8982 |
46 | 3KJ | 0.8979 |
47 | PA5 | 0.8960 |
48 | MLY | 0.8959 |
49 | 11X | 0.8958 |
50 | DA2 | 0.8953 |
51 | 0H9 | 0.8951 |
52 | PMV | 0.8949 |
53 | XRS | 0.8948 |
54 | 6C4 | 0.8947 |
55 | 6C8 | 0.8947 |
56 | 4FC | 0.8942 |
57 | 4JK | 0.8938 |
58 | HL6 | 0.8937 |
59 | BX4 | 0.8926 |
60 | ALY | 0.8924 |
61 | D26 | 0.8917 |
62 | API | 0.8917 |
63 | 8V8 | 0.8915 |
64 | N9M | 0.8911 |
65 | STV | 0.8904 |
66 | TPM | 0.8901 |
67 | EXY | 0.8900 |
68 | EPE | 0.8895 |
69 | GGB | 0.8894 |
70 | 4BX | 0.8894 |
71 | OLU | 0.8886 |
72 | GVA | 0.8884 |
73 | D25 | 0.8878 |
74 | KLS | 0.8877 |
75 | HPX | 0.8874 |
76 | WT2 | 0.8874 |
77 | PQM | 0.8866 |
78 | PML | 0.8862 |
79 | S0B | 0.8856 |
80 | DNN | 0.8855 |
81 | PHQ ALA | 0.8854 |
82 | 3GZ | 0.8850 |
83 | 245 | 0.8844 |
84 | GOE | 0.8843 |
85 | BC5 | 0.8841 |
86 | TEG | 0.8839 |
87 | NFZ | 0.8837 |
88 | 5SP | 0.8835 |
89 | VFJ | 0.8833 |
90 | 8YH | 0.8828 |
91 | 3D3 | 0.8823 |
92 | RDV | 0.8822 |
93 | CLT | 0.8817 |
94 | K0G | 0.8813 |
95 | F6R | 0.8812 |
96 | RGP | 0.8806 |
97 | DHH | 0.8805 |
98 | KNA | 0.8804 |
99 | ILO | 0.8802 |
100 | 1EB | 0.8802 |
101 | VUR | 0.8802 |
102 | 26P | 0.8797 |
103 | 27K | 0.8792 |
104 | KAP | 0.8791 |
105 | 6PG | 0.8788 |
106 | MKN | 0.8782 |
107 | 72E | 0.8781 |
108 | DG6 | 0.8779 |
109 | GB5 | 0.8779 |
110 | SNR | 0.8778 |
111 | C1E | 0.8777 |
112 | DTB | 0.8776 |
113 | M5P | 0.8771 |
114 | AHL | 0.8770 |
115 | 6HN | 0.8764 |
116 | SX2 | 0.8764 |
117 | ENV | 0.8760 |
118 | HNM | 0.8760 |
119 | 4KJ | 0.8754 |
120 | 3IB | 0.8753 |
121 | 5RP | 0.8745 |
122 | MGB | 0.8743 |
123 | NOT | 0.8742 |
124 | WA2 | 0.8742 |
125 | LJ1 | 0.8740 |
126 | REG | 0.8740 |
127 | IPL | 0.8734 |
128 | YIH | 0.8731 |
129 | 5O5 | 0.8731 |
130 | NMM | 0.8729 |
131 | J4K | 0.8729 |
132 | 3S9 | 0.8727 |
133 | Q86 | 0.8723 |
134 | Z3R | 0.8723 |
135 | NRG | 0.8723 |
136 | VFM | 0.8718 |
137 | 4DI | 0.8708 |
138 | ZZU | 0.8698 |
139 | NNH | 0.8678 |
140 | LJ2 | 0.8676 |
141 | 19N | 0.8670 |
142 | VGS | 0.8670 |
143 | CIU | 0.8664 |
144 | 1Q1 | 0.8664 |
145 | BTN | 0.8661 |
146 | N8C | 0.8657 |
147 | EEK | 0.8655 |
148 | P4T | 0.8654 |
149 | LR8 | 0.8644 |
150 | EYY | 0.8644 |
151 | IMI | 0.8641 |
152 | BCH | 0.8638 |
153 | STL | 0.8633 |
154 | L06 | 0.8632 |
155 | 4Z0 | 0.8630 |
156 | ZEA | 0.8630 |
157 | G1L | 0.8623 |
158 | ENW | 0.8623 |
159 | 5ER | 0.8602 |
160 | ESJ | 0.8596 |
161 | G3M | 0.8592 |
162 | FB6 | 0.8588 |
163 | RHC | 0.8572 |
164 | 397 | 0.8566 |
165 | 6CL | 0.8556 |
166 | AOY | 0.8556 |
167 | 613 | 0.8553 |
168 | NAL | 0.8536 |
169 | BTQ | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 2vw1.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |