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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 7 families. | |||||
1 | 3DDB | ic50 = 94.9 uM | ARG ARG ALA THR LYS MET NH2 | n/a | n/a |
2 | 2G7Q | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
3 | 5V8U | - | 90M | C12 H12 F N3 O S | Cc1c(n[nH].... |
4 | 3QJ0 | Ki = 6.3 uM | QI3 | C17 H16 Cl2 N2 O5 S | c1cc(ccc1O.... |
5 | 3NF3 | Ki = 638.1 nM | ARG ARG PHE AIB ALA MET LEU ALA | n/a | n/a |
6 | 3QIZ | Ki = 6.1 uM | QI2 | C24 H32 F2 N2 O3 | Cc1cc(ccc1.... |
7 | 6XCF | - | UZP | C16 H22 Cl2 N2 O3 | CCCCCNC(=O.... |
8 | 6XCE | - | UZM | C14 H18 Cl2 N2 O3 S | c1cc(c(cc1.... |
9 | 2IMB | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
10 | 5V8P | Ki = 10.2 uM | 90G | C11 H10 Cl N3 O S | c1cc(ccc1c.... |
11 | 2ILP | ic50 = 15 uM | GB5 | C9 H8 Cl N O2 | c1cc(ccc1C.... |
12 | 3DS9 | - | 01W ARG TRP THR DAB MET LEU GLY | n/a | n/a |
13 | 5V8R | - | 90J | C11 H10 F N3 O S | c1cc(ccc1c.... |
14 | 3C8B | Ki = 786 nM | ARG ARG GLY ILE NH2 | n/a | n/a |
15 | 3C89 | Ki = 845 nM | ARG ARG GLY MET NH2 | n/a | n/a |
16 | 3C8A | Ki = 660 nM | ARG ARG GLY LEU NH2 | n/a | n/a |
17 | 3QIY | Ki = 4.6 uM | QI1 | C18 H20 Cl2 N2 O2 | c1cc(ccc1C.... |
18 | 3C88 | Ki = 157 nM | ARG ARG GLY CYS NH2 | n/a | n/a |
19 | 2IMA | Ki = 300 nM | GB4 | C9 H7 Cl2 N O2 | c1cc(c(cc1.... |
20 | 3BOO | Ki = 1.9 uM | ACE CSO ARG ALA THR LYS MET LEU | n/a | n/a |
21 | 4HEV | Ki = 460 nM | AXM | C12 H19 N O2 | C1C2CC3CC1.... |
22 | 3DDA | ic50 = 132.9 uM | GLN ARG ALA THR LYS MET NH2 | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3DDB | ic50 = 94.9 uM | ARG ARG ALA THR LYS MET NH2 | n/a | n/a |
2 | 2G7Q | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
3 | 5V8U | - | 90M | C12 H12 F N3 O S | Cc1c(n[nH].... |
4 | 3QJ0 | Ki = 6.3 uM | QI3 | C17 H16 Cl2 N2 O5 S | c1cc(ccc1O.... |
5 | 3NF3 | Ki = 638.1 nM | ARG ARG PHE AIB ALA MET LEU ALA | n/a | n/a |
6 | 3QIZ | Ki = 6.1 uM | QI2 | C24 H32 F2 N2 O3 | Cc1cc(ccc1.... |
7 | 6XCF | - | UZP | C16 H22 Cl2 N2 O3 | CCCCCNC(=O.... |
8 | 6XCE | - | UZM | C14 H18 Cl2 N2 O3 S | c1cc(c(cc1.... |
9 | 2IMB | - | AHL | C6 H15 N5 O2 | [H]/N=C(N).... |
10 | 5V8P | Ki = 10.2 uM | 90G | C11 H10 Cl N3 O S | c1cc(ccc1c.... |
11 | 2ILP | ic50 = 15 uM | GB5 | C9 H8 Cl N O2 | c1cc(ccc1C.... |
12 | 3DS9 | - | 01W ARG TRP THR DAB MET LEU GLY | n/a | n/a |
13 | 5V8R | - | 90J | C11 H10 F N3 O S | c1cc(ccc1c.... |
14 | 3C8B | Ki = 786 nM | ARG ARG GLY ILE NH2 | n/a | n/a |
15 | 3C89 | Ki = 845 nM | ARG ARG GLY MET NH2 | n/a | n/a |
16 | 3C8A | Ki = 660 nM | ARG ARG GLY LEU NH2 | n/a | n/a |
17 | 3QIY | Ki = 4.6 uM | QI1 | C18 H20 Cl2 N2 O2 | c1cc(ccc1C.... |
18 | 3C88 | Ki = 157 nM | ARG ARG GLY CYS NH2 | n/a | n/a |
19 | 2IMA | Ki = 300 nM | GB4 | C9 H7 Cl2 N O2 | c1cc(c(cc1.... |
20 | 3BOO | Ki = 1.9 uM | ACE CSO ARG ALA THR LYS MET LEU | n/a | n/a |
21 | 4HEV | Ki = 460 nM | AXM | C12 H19 N O2 | C1C2CC3CC1.... |
22 | 3DDA | ic50 = 132.9 uM | GLN ARG ALA THR LYS MET NH2 | n/a | n/a |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ARG | 0.9544 |
2 | CIR | 0.9437 |
3 | GGB | 0.9400 |
4 | MLY | 0.9354 |
5 | J9Y | 0.9352 |
6 | NPI | 0.9342 |
7 | 6HN | 0.9320 |
8 | MLZ | 0.9301 |
9 | IAR | 0.9237 |
10 | ILO | 0.9215 |
11 | 4JK | 0.9185 |
12 | EXY | 0.9184 |
13 | JX7 | 0.9170 |
14 | M3L | 0.9157 |
15 | GVA | 0.9133 |
16 | DAR | 0.9096 |
17 | N8C | 0.9089 |
18 | 26P | 0.9081 |
19 | GRQ | 0.9070 |
20 | API | 0.9063 |
21 | E8U | 0.9040 |
22 | RGP | 0.9023 |
23 | UN1 | 0.9015 |
24 | 5KJ | 0.9007 |
25 | 9YT | 0.9006 |
26 | T03 | 0.9006 |
27 | NNH | 0.9003 |
28 | WT2 | 0.9001 |
29 | 14W | 0.8998 |
30 | KNA | 0.8998 |
31 | ALY | 0.8991 |
32 | DHH | 0.8990 |
33 | DX5 | 0.8985 |
34 | I2E | 0.8983 |
35 | NFZ | 0.8982 |
36 | PML | 0.8978 |
37 | XRX | 0.8968 |
38 | KAP | 0.8965 |
39 | GGG | 0.8963 |
40 | 4Z0 | 0.8957 |
41 | 7XA | 0.8951 |
42 | ENV | 0.8950 |
43 | 58X | 0.8942 |
44 | ZZU | 0.8936 |
45 | DXG | 0.8935 |
46 | 6FG | 0.8935 |
47 | 6C4 | 0.8932 |
48 | 2NP | 0.8923 |
49 | LYS | 0.8920 |
50 | RED | 0.8920 |
51 | 4DI | 0.8919 |
52 | HLP | 0.8919 |
53 | GNW | 0.8914 |
54 | 2OR | 0.8912 |
55 | PAN | 0.8909 |
56 | 2FM | 0.8908 |
57 | S7V | 0.8908 |
58 | MF3 | 0.8908 |
59 | DA3 | 0.8908 |
60 | 5TO | 0.8903 |
61 | NOT | 0.8900 |
62 | N9J | 0.8900 |
63 | HJD | 0.8898 |
64 | 6C5 | 0.8895 |
65 | I58 | 0.8894 |
66 | SPD | 0.8892 |
67 | CLT | 0.8890 |
68 | 3KJ | 0.8890 |
69 | GLY GLY GLY | 0.8886 |
70 | KLS | 0.8878 |
71 | OOG | 0.8875 |
72 | LPA | 0.8874 |
73 | 37Z | 0.8873 |
74 | SLZ | 0.8872 |
75 | IVL | 0.8868 |
76 | OJD | 0.8867 |
77 | 5SP | 0.8867 |
78 | 0XR | 0.8865 |
79 | ENW | 0.8865 |
80 | FB6 | 0.8859 |
81 | KPV | 0.8859 |
82 | VUR | 0.8853 |
83 | TZM | 0.8853 |
84 | 11C | 0.8850 |
85 | R5P | 0.8850 |
86 | PJL | 0.8845 |
87 | DKA | 0.8844 |
88 | Z70 | 0.8842 |
89 | L06 | 0.8841 |
90 | FXY | 0.8837 |
91 | XOG | 0.8835 |
92 | DA2 | 0.8831 |
93 | PA5 | 0.8828 |
94 | 1AJ | 0.8828 |
95 | DLY | 0.8824 |
96 | 6C9 | 0.8814 |
97 | 5UF | 0.8814 |
98 | 9VQ | 0.8813 |
99 | 3IP | 0.8813 |
100 | PZX | 0.8811 |
101 | TEG | 0.8806 |
102 | DIR | 0.8806 |
103 | 3H2 | 0.8804 |
104 | 4BX | 0.8804 |
105 | 7VY | 0.8802 |
106 | P93 | 0.8802 |
107 | 8AC | 0.8798 |
108 | SZA | 0.8798 |
109 | BZM | 0.8795 |
110 | DMA | 0.8792 |
111 | 8CV | 0.8790 |
112 | NWH | 0.8787 |
113 | LL2 | 0.8786 |
114 | JPQ | 0.8785 |
115 | ONH | 0.8782 |
116 | H35 | 0.8779 |
117 | HPP | 0.8779 |
118 | N9M | 0.8779 |
119 | 5RP | 0.8777 |
120 | IPE | 0.8776 |
121 | AHC | 0.8774 |
122 | DLT | 0.8773 |
123 | 5PV | 0.8771 |
124 | SB9 | 0.8770 |
125 | QH3 | 0.8770 |
126 | IJ6 | 0.8770 |
127 | PPT | 0.8767 |
128 | DNN | 0.8767 |
129 | 6FR | 0.8764 |
130 | JM2 | 0.8764 |
131 | 7OD | 0.8763 |
132 | HGA | 0.8762 |
133 | TYR | 0.8761 |
134 | OCA | 0.8761 |
135 | TOH | 0.8761 |
136 | 7R4 | 0.8760 |
137 | LPB | 0.8758 |
138 | PMV | 0.8757 |
139 | 0A9 | 0.8753 |
140 | MJW | 0.8752 |
141 | 3EB | 0.8749 |
142 | LVD | 0.8747 |
143 | E79 | 0.8743 |
144 | 4Z9 | 0.8742 |
145 | 0V7 | 0.8742 |
146 | ISY | 0.8740 |
147 | HHV | 0.8739 |
148 | GLR | 0.8734 |
149 | 2J3 | 0.8727 |
150 | SB7 | 0.8720 |
151 | 3IL | 0.8712 |
152 | PH3 | 0.8709 |
153 | G6Q | 0.8706 |
154 | 011 | 0.8705 |
155 | ENO | 0.8700 |
156 | 9J6 | 0.8697 |
157 | S0F | 0.8696 |
158 | J4K | 0.8693 |
159 | EGV | 0.8693 |
160 | IJ1 | 0.8692 |
161 | 1N5 | 0.8691 |
162 | IPR | 0.8687 |
163 | A8K | 0.8686 |
164 | O45 | 0.8684 |
165 | DTY | 0.8682 |
166 | REL | 0.8674 |
167 | FHC | 0.8671 |
168 | 64Z | 0.8671 |
169 | YPN | 0.8670 |
170 | GZ2 | 0.8669 |
171 | 37E | 0.8666 |
172 | PHE | 0.8665 |
173 | JF5 | 0.8658 |
174 | MMS | 0.8657 |
175 | 3CX | 0.8656 |
176 | S7D | 0.8655 |
177 | S0B | 0.8654 |
178 | DAH | 0.8653 |
179 | RQD | 0.8651 |
180 | C82 | 0.8650 |
181 | 3GZ | 0.8645 |
182 | RK4 | 0.8645 |
183 | 5OY | 0.8644 |
184 | F6P | 0.8643 |
185 | A5P | 0.8641 |
186 | VIO | 0.8639 |
187 | F98 | 0.8638 |
188 | 3IB | 0.8631 |
189 | 1HR | 0.8629 |
190 | YOF | 0.8628 |
191 | L22 | 0.8626 |
192 | HPO | 0.8624 |
193 | PAL | 0.8621 |
194 | CUW | 0.8616 |
195 | GHQ | 0.8615 |
196 | 531 | 0.8613 |
197 | C4E | 0.8613 |
198 | 6MW | 0.8612 |
199 | JKK | 0.8610 |
200 | D2G | 0.8608 |
201 | LYN | 0.8607 |
202 | HSA | 0.8595 |
203 | DST | 0.8595 |
204 | VJJ | 0.8595 |
205 | 6XA | 0.8588 |
206 | 6PG | 0.8586 |
207 | 0V8 | 0.8581 |
208 | C0H | 0.8581 |
209 | 6PR | 0.8577 |
210 | CUT | 0.8570 |
211 | 19N | 0.8566 |
212 | QBM | 0.8564 |
213 | PBN | 0.8563 |
214 | 2UB | 0.8560 |
215 | 2UZ | 0.8559 |
216 | HNE | 0.8541 |
217 | 536 | 0.8531 |
218 | 4BF | 0.8529 |
This union binding pocket(no: 1) in the query (biounit: 3c88.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |