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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 426 families. | |||||
1 | 2X0W | - | X0W | C10 H11 N O2 S | Cc1nc2cc(c.... |
2 | 4AGM | Kd = 105 uM | P86 | C16 H24 I2 N2 O | CCN(CC)C1C.... |
3 | 5AB9 | Kd = 470 uM | 92O | C15 H20 N2 | CCc1cccc2c.... |
4 | 6GGE | - | EYE | C21 H23 N2 S | CCn1c2ccc(.... |
5 | 2X0V | - | X0V | C7 H7 F3 N2 | c1cc(c(cc1.... |
6 | 5O1A | Kd = 30 uM | 9H5 | C16 H17 I2 N3 O2 | CN1CCN(CC1.... |
7 | 5G4O | Kd = 37.2 uM | O80 | C17 H17 F3 N2 | CN(C)Cc1cc.... |
8 | 5O1F | Kd = 30 uM | 9GQ | C15 H16 I N O4 | CCCCOc1cc(.... |
9 | 5AOJ | Kd = 21 uM | Y0V | C11 H7 I2 N O3 | c1ccn(c1)c.... |
10 | 6GGF | - | EXQ | C21 H23 N2 S | CCn1c2ccc(.... |
11 | 5O1G | Kd = 116 uM | 9GK | C19 H16 I N O4 | c1ccc(cc1).... |
12 | 5O1I | Kd = 4 uM | 9GH | C16 H16 I N3 O3 S | CCN(CC)c1n.... |
13 | 5AOL | Kd = 4800 uM | UFV | C7 H6 Br F3 N2 | c1c(cc(c(c.... |
14 | 6GGC | - | EXN | C20 H21 N2 O | CCn1c2ccc(.... |
15 | 5AOI | Kd = 940 uM | RZH | C13 H17 Br N2 | CCc1cc(cc2.... |
16 | 5O1D | Kd = 22 uM | 9GW | C14 H14 I N O4 | CCCOc1cc(c.... |
17 | 4AGP | Kd = 20.6 uM | P51 | C25 H31 I N2 O2 | CCN(CC)C1C.... |
18 | 6SI4 | Kd = 5.9 uM | LEK | C19 H19 N3 S | CCn1c2ccc(.... |
19 | 3ZME | - | QC5 | C17 H19 F N4 | CN(C)CCn1c.... |
20 | 5AOK | - | GOH | C11 H10 N6 O | c1ccn(c1)c.... |
21 | 6SI3 | Kd = 4 uM | LEB | C16 H14 Br F3 N2 | CNCc1ccc2c.... |
22 | 5A7B | Kd = 271 uM | KMN | C27 H32 N2 O2 | CCN(CC)C1C.... |
23 | 5ABA | Kd = 1040 uM | UL7 | C17 H24 Br Cl N2 O2 | c1c(cc(c(c.... |
24 | 6GGD | - | EYB | C19 H20 N3 O | CCn1c2ccc(.... |
25 | 2VUK | Kd = 125 uM | P83 | C16 H18 N2 | CCn1c2cccc.... |
26 | 4AGQ | Kd = 9.7 uM | P96 | C25 H32 I N3 O | CCN(CC)C1C.... |
27 | 5O1E | Kd = 33 uM | 9GT | C14 H12 I N O4 | C=CCOc1cc(.... |
28 | 4AGN | Kd = 107 uM | NXG | C19 H27 I N2 O2 | CCN(CC)C1C.... |
29 | 6GGA | - | EY2 | C16 H18 Br N2 | CCn1c2ccc(.... |
30 | 5O1B | Kd = 20 uM | 9H2 | C11 H9 I2 N O2 | c1ccn(c1)c.... |
31 | 5AOM | Kd = 1270 uM | FY8 | C12 H15 Cl N2 O2 | c1cc(c(cc1.... |
32 | 2X0U | - | X0U | C9 H8 N2 O2 S | c1c2c(cc3c.... |
33 | 4AGO | Kd = 15.5 uM | P74 | C24 H36 I N3 O3 | CCN(CC)C1C.... |
34 | 5O1C | Kd = 113 uM | 9GZ | C17 H11 F I N O3 | c1ccn(c1)c.... |
35 | 5G4N | Kd = 101 uM | O83 | C16 H16 F2 N2 | CNCc1ccc2c.... |
36 | 6GGB | - | EXQ | C21 H23 N2 S | CCn1c2ccc(.... |
37 | 5O1H | Kd = 14 uM | 9GN | C14 H14 I N O3 S | CCCSc1cc(c.... |
38 | 4AGL | Kd = 225 uM | P84 | C14 H20 I2 N2 O | CN1CCC(CC1.... |
39 | 6SI0 | Kd = 5.3 uM | LEK | C19 H19 N3 S | CCn1c2ccc(.... |
40 | 5G4M | Kd = 138 uM | O82 | C16 H17 F N2 | CNCc1ccc2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 2X0W | - | X0W | C10 H11 N O2 S | Cc1nc2cc(c.... |
2 | 4AGM | Kd = 105 uM | P86 | C16 H24 I2 N2 O | CCN(CC)C1C.... |
3 | 5AB9 | Kd = 470 uM | 92O | C15 H20 N2 | CCc1cccc2c.... |
4 | 6GGE | - | EYE | C21 H23 N2 S | CCn1c2ccc(.... |
5 | 2X0V | - | X0V | C7 H7 F3 N2 | c1cc(c(cc1.... |
6 | 5O1A | Kd = 30 uM | 9H5 | C16 H17 I2 N3 O2 | CN1CCN(CC1.... |
7 | 5G4O | Kd = 37.2 uM | O80 | C17 H17 F3 N2 | CN(C)Cc1cc.... |
8 | 5O1F | Kd = 30 uM | 9GQ | C15 H16 I N O4 | CCCCOc1cc(.... |
9 | 5AOJ | Kd = 21 uM | Y0V | C11 H7 I2 N O3 | c1ccn(c1)c.... |
10 | 6GGF | - | EXQ | C21 H23 N2 S | CCn1c2ccc(.... |
11 | 5O1G | Kd = 116 uM | 9GK | C19 H16 I N O4 | c1ccc(cc1).... |
12 | 5O1I | Kd = 4 uM | 9GH | C16 H16 I N3 O3 S | CCN(CC)c1n.... |
13 | 5AOL | Kd = 4800 uM | UFV | C7 H6 Br F3 N2 | c1c(cc(c(c.... |
14 | 6GGC | - | EXN | C20 H21 N2 O | CCn1c2ccc(.... |
15 | 5AOI | Kd = 940 uM | RZH | C13 H17 Br N2 | CCc1cc(cc2.... |
16 | 5O1D | Kd = 22 uM | 9GW | C14 H14 I N O4 | CCCOc1cc(c.... |
17 | 4AGP | Kd = 20.6 uM | P51 | C25 H31 I N2 O2 | CCN(CC)C1C.... |
18 | 6SI4 | Kd = 5.9 uM | LEK | C19 H19 N3 S | CCn1c2ccc(.... |
19 | 3ZME | - | QC5 | C17 H19 F N4 | CN(C)CCn1c.... |
20 | 5AOK | - | GOH | C11 H10 N6 O | c1ccn(c1)c.... |
21 | 6SI3 | Kd = 4 uM | LEB | C16 H14 Br F3 N2 | CNCc1ccc2c.... |
22 | 5A7B | Kd = 271 uM | KMN | C27 H32 N2 O2 | CCN(CC)C1C.... |
23 | 5ABA | Kd = 1040 uM | UL7 | C17 H24 Br Cl N2 O2 | c1c(cc(c(c.... |
24 | 6GGD | - | EYB | C19 H20 N3 O | CCn1c2ccc(.... |
25 | 2VUK | Kd = 125 uM | P83 | C16 H18 N2 | CCn1c2cccc.... |
26 | 4AGQ | Kd = 9.7 uM | P96 | C25 H32 I N3 O | CCN(CC)C1C.... |
27 | 5O1E | Kd = 33 uM | 9GT | C14 H12 I N O4 | C=CCOc1cc(.... |
28 | 4AGN | Kd = 107 uM | NXG | C19 H27 I N2 O2 | CCN(CC)C1C.... |
29 | 6GGA | - | EY2 | C16 H18 Br N2 | CCn1c2ccc(.... |
30 | 5O1B | Kd = 20 uM | 9H2 | C11 H9 I2 N O2 | c1ccn(c1)c.... |
31 | 5AOM | Kd = 1270 uM | FY8 | C12 H15 Cl N2 O2 | c1cc(c(cc1.... |
32 | 2X0U | - | X0U | C9 H8 N2 O2 S | c1c2c(cc3c.... |
33 | 4AGO | Kd = 15.5 uM | P74 | C24 H36 I N3 O3 | CCN(CC)C1C.... |
34 | 5O1C | Kd = 113 uM | 9GZ | C17 H11 F I N O3 | c1ccn(c1)c.... |
35 | 5G4N | Kd = 101 uM | O83 | C16 H16 F2 N2 | CNCc1ccc2c.... |
36 | 6GGB | - | EXQ | C21 H23 N2 S | CCn1c2ccc(.... |
37 | 5O1H | Kd = 14 uM | 9GN | C14 H14 I N O3 S | CCCSc1cc(c.... |
38 | 4AGL | Kd = 225 uM | P84 | C14 H20 I2 N2 O | CN1CCC(CC1.... |
39 | 6SI0 | Kd = 5.3 uM | LEK | C19 H19 N3 S | CCn1c2ccc(.... |
40 | 5G4M | Kd = 138 uM | O82 | C16 H17 F N2 | CNCc1ccc2c.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EY2 | 0.9762 |
2 | 64F | 0.9348 |
3 | 64E | 0.9331 |
4 | L07 | 0.9298 |
5 | UN9 | 0.9256 |
6 | B21 | 0.9247 |
7 | C09 | 0.9214 |
8 | 5WT | 0.9201 |
9 | 25F | 0.9200 |
10 | YE7 | 0.9165 |
11 | D80 | 0.9161 |
12 | Q5M | 0.9161 |
13 | YEX | 0.9157 |
14 | HA6 | 0.9150 |
15 | A73 | 0.9133 |
16 | CKA | 0.9119 |
17 | XG1 | 0.9115 |
18 | 1V1 | 0.9087 |
19 | WLH | 0.9083 |
20 | 2GQ | 0.9074 |
21 | 20D | 0.9071 |
22 | RGK | 0.9067 |
23 | R4E | 0.9062 |
24 | LP8 | 0.9057 |
25 | DFL | 0.9056 |
26 | M3W | 0.9033 |
27 | EQR | 0.9024 |
28 | 5WS | 0.9009 |
29 | D87 | 0.9003 |
30 | A63 | 0.8998 |
31 | EYA | 0.8996 |
32 | AH3 | 0.8990 |
33 | 30G | 0.8988 |
34 | 57U | 0.8986 |
35 | 8G6 | 0.8970 |
36 | 2JK | 0.8967 |
37 | MN QAY | 0.8963 |
38 | TQ1 | 0.8963 |
39 | HRD | 0.8962 |
40 | X0T | 0.8961 |
41 | F40 | 0.8940 |
42 | VT3 | 0.8933 |
43 | 1V4 | 0.8932 |
44 | FCD | 0.8932 |
45 | HBO | 0.8931 |
46 | 5V6 | 0.8928 |
47 | MUX | 0.8918 |
48 | EYM | 0.8912 |
49 | CDJ | 0.8908 |
50 | 55D | 0.8905 |
51 | DXK | 0.8905 |
52 | 5V5 | 0.8903 |
53 | 774 | 0.8895 |
54 | AH9 | 0.8889 |
55 | FNT | 0.8885 |
56 | 2LW | 0.8876 |
57 | CX4 | 0.8874 |
58 | TCR | 0.8874 |
59 | JP2 | 0.8873 |
60 | S98 | 0.8868 |
61 | KMP | 0.8865 |
62 | 0XT | 0.8855 |
63 | GNV | 0.8849 |
64 | 5UH | 0.8846 |
65 | X8E | 0.8846 |
66 | YE6 | 0.8845 |
67 | QUB | 0.8841 |
68 | E1K | 0.8841 |
69 | ZEA | 0.8834 |
70 | BA5 | 0.8831 |
71 | 5XL | 0.8823 |
72 | GVI | 0.8821 |
73 | OAL | 0.8818 |
74 | KU1 | 0.8818 |
75 | FSU | 0.8818 |
76 | B23 | 0.8816 |
77 | 7MX | 0.8813 |
78 | ELH | 0.8804 |
79 | 2WU | 0.8802 |
80 | 5VJ | 0.8795 |
81 | 27M | 0.8785 |
82 | GI1 | 0.8781 |
83 | BDI | 0.8781 |
84 | JTA | 0.8777 |
85 | AMR | 0.8776 |
86 | 6ZW | 0.8774 |
87 | JTF | 0.8774 |
88 | TRP | 0.8769 |
89 | BBY | 0.8766 |
90 | 52F | 0.8752 |
91 | 9F8 | 0.8748 |
92 | KLV | 0.8744 |
93 | ALR | 0.8741 |
94 | SDN | 0.8738 |
95 | 78P | 0.8727 |
96 | GNJ | 0.8727 |
97 | YZ9 | 0.8726 |
98 | TXW | 0.8709 |
99 | IKY | 0.8706 |
100 | 9XZ | 0.8706 |
101 | NPG | 0.8705 |
102 | JRO | 0.8696 |
103 | 5E1 | 0.8692 |
104 | BIK | 0.8692 |
105 | OAQ | 0.8686 |
106 | DK1 | 0.8683 |
107 | B0K | 0.8683 |
108 | D2G | 0.8681 |
109 | 5WM | 0.8679 |
110 | 9AP | 0.8672 |
111 | 6DH | 0.8670 |
112 | 0SX | 0.8669 |
113 | MBP | 0.8666 |
114 | AC2 | 0.8665 |
115 | LDR | 0.8660 |
116 | 8MO | 0.8641 |
117 | 4B0 | 0.8639 |
118 | KCH | 0.8639 |
119 | GI4 | 0.8637 |
120 | SU9 | 0.8636 |
121 | 5V7 | 0.8633 |
122 | 3J8 | 0.8632 |
123 | 7L4 | 0.8631 |
124 | 8W9 | 0.8625 |
125 | AH6 | 0.8623 |
126 | 60L | 0.8615 |
127 | 1EL | 0.8608 |
128 | FC2 | 0.8603 |
129 | 8RK | 0.8601 |
130 | 4E3 | 0.8595 |
131 | 6JO | 0.8587 |
132 | 108 | 0.8571 |
133 | BL7 | 0.8565 |
134 | L3L | 0.8555 |
135 | CMG | 0.8552 |
136 | M01 | 0.8540 |
137 | CWE | 0.8537 |
This union binding pocket(no: 1) in the query (biounit: 6si3.bio2) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6si3.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |