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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 | 4FC | 0.9358 |
2 | J84 | 0.9301 |
3 | A9B | 0.9211 |
4 | HDI | 0.9200 |
5 | L02 | 0.9160 |
6 | NVS | 0.9144 |
7 | PB2 | 0.9127 |
8 | KW7 | 0.9119 |
9 | 72D | 0.9115 |
10 | 90G | 0.9114 |
11 | D26 | 0.9100 |
12 | 1Q1 | 0.9098 |
13 | HHB | 0.9085 |
14 | 0NJ | 0.9074 |
15 | FCW | 0.9064 |
16 | 0K7 | 0.9053 |
17 | FMQ | 0.9050 |
18 | HH6 | 0.9043 |
19 | 1R5 | 0.9043 |
20 | 7EH | 0.9041 |
21 | 6P3 | 0.9022 |
22 | 1Q2 | 0.9021 |
23 | D25 | 0.9014 |
24 | PQS | 0.9014 |
25 | 5DE | 0.9009 |
26 | H75 | 0.9008 |
27 | NIF | 0.8996 |
28 | FLP | 0.8989 |
29 | PQM | 0.8978 |
30 | ZAR | 0.8972 |
31 | FMH | 0.8960 |
32 | 205 | 0.8960 |
33 | 5ZM | 0.8960 |
34 | BFL | 0.8959 |
35 | RF2 | 0.8954 |
36 | PTR | 0.8947 |
37 | Q8D | 0.8947 |
38 | 0UL | 0.8944 |
39 | Q8G | 0.8939 |
40 | 4AF | 0.8938 |
41 | TID | 0.8938 |
42 | 122 | 0.8936 |
43 | S45 | 0.8936 |
44 | UN3 | 0.8917 |
45 | 121 | 0.8917 |
46 | 4DE | 0.8905 |
47 | X6W | 0.8902 |
48 | BP5 | 0.8901 |
49 | C0V | 0.8901 |
50 | 272 | 0.8898 |
51 | 613 | 0.8896 |
52 | 2OX | 0.8890 |
53 | U4J | 0.8889 |
54 | 1HP | 0.8889 |
55 | 4CN | 0.8881 |
56 | OLU | 0.8881 |
57 | CIU | 0.8880 |
58 | ENY | 0.8876 |
59 | BXZ | 0.8842 |
60 | GF7 | 0.8840 |
61 | 15Q | 0.8834 |
62 | 3C5 | 0.8830 |
63 | 22M | 0.8827 |
64 | 9FH | 0.8826 |
65 | BX4 | 0.8826 |
66 | JP8 | 0.8823 |
67 | 7G2 | 0.8822 |
68 | 0OK | 0.8822 |
69 | 0MB | 0.8810 |
70 | U55 | 0.8810 |
71 | KWV | 0.8805 |
72 | IPJ | 0.8805 |
73 | 8V8 | 0.8799 |
74 | 7N8 | 0.8796 |
75 | GJG | 0.8786 |
76 | 3DE | 0.8785 |
77 | 3F4 | 0.8780 |
78 | LZ4 | 0.8779 |
79 | Z3R | 0.8778 |
80 | 28A | 0.8777 |
81 | 27K | 0.8775 |
82 | CT0 | 0.8774 |
83 | RKN | 0.8774 |
84 | G14 | 0.8771 |
85 | 5NR | 0.8769 |
86 | 3SU | 0.8769 |
87 | RGK | 0.8764 |
88 | 7KE | 0.8763 |
89 | 25F | 0.8762 |
90 | KU1 | 0.8760 |
91 | 0DF | 0.8758 |
92 | LC1 | 0.8757 |
93 | SZ5 | 0.8756 |
94 | 2GE | 0.8755 |
95 | CR4 | 0.8750 |
96 | BMZ | 0.8750 |
97 | BXS | 0.8746 |
98 | EAA | 0.8740 |
99 | 5TT | 0.8739 |
100 | L1T | 0.8733 |
101 | 4UE | 0.8733 |
102 | DFL | 0.8730 |
103 | DFV | 0.8726 |
104 | 120 | 0.8726 |
105 | WLH | 0.8724 |
106 | P7V | 0.8721 |
107 | 20D | 0.8719 |
108 | L2K | 0.8716 |
109 | PIQ | 0.8710 |
110 | JTK | 0.8710 |
111 | YZ9 | 0.8710 |
112 | 6DQ | 0.8708 |
113 | BVS | 0.8708 |
114 | TLT | 0.8707 |
115 | TVZ | 0.8699 |
116 | 801 | 0.8696 |
117 | SO7 | 0.8693 |
118 | 2L7 | 0.8691 |
119 | A73 | 0.8687 |
120 | 2JX | 0.8687 |
121 | NKI | 0.8685 |
122 | SNV | 0.8681 |
123 | FYR | 0.8681 |
124 | 1OT | 0.8681 |
125 | 1V4 | 0.8673 |
126 | SJR | 0.8673 |
127 | AJ1 | 0.8670 |
128 | 1V1 | 0.8667 |
129 | EQW | 0.8666 |
130 | P4L | 0.8666 |
131 | 08C | 0.8664 |
132 | 39R | 0.8663 |
133 | SWX | 0.8660 |
134 | 20N | 0.8660 |
135 | 5C1 | 0.8654 |
136 | N9M | 0.8654 |
137 | F40 | 0.8649 |
138 | 0LO | 0.8647 |
139 | 6QT | 0.8646 |
140 | 4UM | 0.8646 |
141 | ESJ | 0.8644 |
142 | Q0K | 0.8644 |
143 | 4ZW | 0.8640 |
144 | LNN | 0.8634 |
145 | 6DE | 0.8630 |
146 | 7L4 | 0.8627 |
147 | AJG | 0.8618 |
148 | 4AU | 0.8615 |
149 | SSY | 0.8613 |
150 | 1SF | 0.8612 |
151 | 0RA | 0.8610 |
152 | 1XS | 0.8609 |
153 | JON | 0.8609 |
154 | 27F | 0.8599 |
155 | PRL | 0.8599 |
156 | 8D6 | 0.8596 |
157 | YE6 | 0.8588 |
158 | EAE | 0.8587 |
159 | 3CX | 0.8585 |
160 | CUE | 0.8578 |
161 | AO | 0.8577 |
162 | 7FU | 0.8570 |
163 | JTE | 0.8569 |
164 | 51Y | 0.8534 |
165 | 43G | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 3c88.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |