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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 17 families. | |||||
1 | 3DN4 | Ka = 51800 M^-1 | PIH | C6 H5 I | c1ccc(cc1).... |
2 | 1LI2 | Kd = 91 uM | IPH | C6 H6 O | c1ccc(cc1).... |
3 | 3HH3 | - | B20 | C4 H6 B N | B1C=CC=CN1 |
4 | 4W53 | Kd = 102 uM | MBN | C7 H8 | Cc1ccccc1 |
5 | 3DMZ | - | HFB | C6 F6 | c1(c(c(c(c.... |
6 | 2OTZ | Kd = 357 uM | 1MR | C7 H9 N | CNc1ccccc1 |
7 | 1LI6 | Ka = 6300 M^-1 | 5MP | C5 H7 N | Cc1cc[nH]c.... |
8 | 5G27 | - | MTN | C10 H18 N O3 S2 | CC1(C=C(C(.... |
9 | 225L | - | PXY | C8 H10 | Cc1ccc(cc1.... |
10 | 1OV5 | - | 2LP | C9 H10 O | C=CCc1cccc.... |
11 | 2RBN | - | 264 | C8 H8 N2 | c1ccc(cc1).... |
12 | 1OV7 | - | LYL | C10 H12 O | Cc1cccc(c1.... |
13 | 2OTY | Kd = 21 uM | YAN | C6 H4 Cl2 | c1ccc(c(c1.... |
14 | 1LGX | - | 5AN | C6 H5 F2 N | c1c(cc(cc1.... |
15 | 4W54 | Kd = 68 uM | PYJ | C8 H10 | CCc1ccccc1 |
16 | 1L83 | Kd = 0.4 mM | BNZ | C6 H6 | c1ccccc1 |
17 | 3HT8 | Kd = 0.12 mM | JZ2 | C7 H7 Cl O | Cc1ccc(cc1.... |
18 | 3DNA | Ka = 40900 M^-1 | PIH | C6 H5 I | c1ccc(cc1).... |
19 | 3HH6 | - | PYJ | C8 H10 | CCc1ccccc1 |
20 | 2RB1 | - | 261 | C8 H10 O2 | CCOc1ccccc.... |
21 | 1NHB | Ka = 14800 M^-1 | PYJ | C8 H10 | CCc1ccccc1 |
22 | 2RAY | - | 258 | C8 H9 Cl O | c1ccc(cc1).... |
23 | 3HUA | Kd = 0.278 mM | JZ9 | C8 H11 N | c1c[nH]c2c.... |
24 | 3DN2 | - | BBF | C6 Br F5 | c1(c(c(c(c.... |
25 | 2F47 | Kd = 148 mM | MGX | C2 H7 N3 | [H]/N=C(/N.... |
26 | 2RBO | - | 265 | C4 H3 N O2 S | c1cc(sc1)[.... |
27 | 3DN0 | - | F5B | C6 H F5 | c1c(c(c(c(.... |
28 | 185L | Kd = 289 uM | IND | C8 H7 N | c1ccc2c(c1.... |
29 | 186L | Kd = 14 uM | N4B | C10 H14 | CCCCc1cccc.... |
30 | 3GUK | Ka = 14100 M^-1 | MBN | C7 H8 | Cc1ccccc1 |
31 | 5JWV | Ka = 14100 M^-1 | PYJ | C8 H10 | CCc1ccccc1 |
32 | 4W52 | Kd = 175 uM | BNZ | C6 H6 | c1ccccc1 |
33 | 1XEP | - | CAQ | C6 H6 O2 | c1ccc(c(c1.... |
34 | 3HTG | - | JZ7 | C7 H12 O2 | CCO[C@@H]1.... |
35 | 227L | - | BNZ | C6 H6 | c1ccccc1 |
36 | 3HU8 | Kd = 0.79 mM | 261 | C8 H10 O2 | CCOc1ccccc.... |
37 | 3HTF | - | JZ6 | C3 H3 Cl N2 | c1c(cn[nH].... |
38 | 2RBP | - | 266 | C5 H12 O S | CCCSCCO |
39 | 3HH4 | - | BNZ | C6 H6 | c1ccccc1 |
40 | 2RAZ | - | 259 | C7 H7 N O2 S | CSc1ccc(cc.... |
41 | 182L | Ka = 8900 M^-1 | BZF | C8 H6 O | c1ccc2c(c1.... |
42 | 1OVH | - | 2CM | C7 H8 Cl N | Cc1cccc(c1.... |
43 | 3HT6 | Kd = 0.36 mM | JZ0 | C7 H8 O | Cc1ccccc1O |
44 | 5JWS | Ka = 9000 M^-1 | 6OQ | C6 H10 B N | B1(C=CC=CN.... |
45 | 1L84 | - | BNZ | C6 H6 | c1ccccc1 |
46 | 3HUQ | Kd = 0.25 mM | J1Z | C6 H4 S2 | c1csc2c1sc.... |
47 | 3DMX | Kd = 58.5 uM | BNZ | C6 H6 | c1ccccc1 |
48 | 188L | Kd = 469 uM | OXE | C8 H10 | Cc1ccccc1C |
49 | 3DN8 | - | IBF | C6 F5 I | c1(c(c(c(c.... |
50 | 3HT9 | - | JZ3 | C7 H8 O2 | COc1ccccc1.... |
51 | 4W57 | Kd = 14 uM | N4B | C10 H14 | CCCCc1cccc.... |
52 | 5JWT | Ka = 18900 M^-1 | BNZ | C6 H6 | c1ccccc1 |
53 | 3GUM | Ka = 6610 M^-1 | PXY | C8 H10 | Cc1ccc(cc1.... |
54 | 181L | Ka = 5700 M^-1 | BNZ | C6 H6 | c1ccccc1 |
55 | 3DN3 | Ka = 3330 M^-1 | IBF | C6 F5 I | c1(c(c(c(c.... |
56 | 2RBQ | - | 263 | C8 H9 N3 | Cc1cccc(c1.... |
57 | 2RB2 | - | 263 | C8 H9 N3 | Cc1cccc(c1.... |
58 | 3RUN | Kd = 3.6 uM | MLU OMZ ASN GHP GHP OMY 3FG BGC RER | n/a | n/a |
59 | 1LI3 | Kd = 56 uM | 3CH | C6 H5 Cl O | c1cc(cc(c1.... |
60 | 2RBR | - | 268 | C8 H10 O2 | c1ccc(cc1).... |
61 | 5JWU | Ka = 87700 M^-1 | B20 | C4 H6 B N | B1C=CC=CN1 |
62 | 3GUL | Ka = 22800 M^-1 | PYJ | C8 H10 | CCc1ccccc1 |
63 | 4W58 | - | 3H2 | C11 H16 | CCCCCc1ccc.... |
64 | 184L | Ka = 51000 M^-1 | I4B | C10 H14 | CC(C)Cc1cc.... |
65 | 3GUO | Ka = 9150 M^-1 | IPH | C6 H6 O | c1ccc(cc1).... |
66 | 3HTD | - | JZ5 | C5 H5 N O S | c1cc(sc1)/.... |
67 | 3HTB | Kd = 73.9 uM | JZ4 | C9 H12 O | CCCc1ccccc.... |
68 | 187L | Kd = 422 uM | PXY | C8 H10 | Cc1ccc(cc1.... |
69 | 1OVJ | - | FLM | C7 H8 F N | Cc1c(cccc1.... |
70 | 4W55 | Kd = 18 uM | 3H0 | C9 H12 | CCCc1ccccc.... |
71 | 3GUJ | Ka = 37200 M^-1 | BNZ | C6 H6 | c1ccccc1 |
72 | 5LWO | - | RXR | C10 H18 N O S2 | CC1(C(=C(C.... |
73 | 3HU9 | - | NBE | C6 H5 N O | c1ccc(cc1).... |
74 | 1LGW | Kd = 100 uM | 1AN | C6 H6 F N | c1ccc(c(c1.... |
75 | 3DN6 | - | F3B | C6 Cl3 F3 | c1(c(c(c(c.... |
76 | 2RB0 | - | 260 | C7 H5 Br F2 | c1cc(c(c(c.... |
77 | 2RBS | - | 269 | C9 H11 Cl O | c1ccc(cc1).... |
78 | 2OU0 | Kd = 592 uM | MR3 | C5 H7 N | Cn1cccc1 |
79 | 3HH5 | - | B24 | C6 H10 B N | B1C=CC=CN1.... |
80 | 220L | Kd = 0.4 mM | BNZ | C6 H6 | c1ccccc1 |
81 | 5JDT | - | MTN | C10 H18 N O3 S2 | CC1(C=C(C(.... |
82 | 1OVK | - | NYL | C9 H11 N | C=CCNc1ccc.... |
83 | 3HUK | Kd = 0.35 mM | J0Z | C9 H10 O2 | CC(=O)OCc1.... |
84 | 4W59 | - | 3GZ | C12 H18 | CCCCCCc1cc.... |
85 | 223L | Kd = 0.4 mM | BNZ | C6 H6 | c1ccccc1 |
86 | 3GUP | - | 0PY | C5 H5 N | c1ccncc1 |
87 | 3HT7 | Kd = 0.28 mM | JZ1 | C8 H10 O | CCc1ccccc1.... |
88 | 1OWY | - | PRY | C9 H13 N | CCCc1ccccc.... |
89 | 3DN1 | - | BCF | C6 Cl F5 | c1(c(c(c(c.... |
90 | 4W56 | - | 3GY | C10 H14 | CC[C@@H](C.... |
91 | 183L | Ka = 5170 M^-1 | DEN | C9 H8 | c1ccc2c(c1.... |
92 | 2F32 | Kd = 73 mM | EGD | C3 H9 N3 | [H]/N=C(N).... |
93 | 5JWW | Ka = 20800 M^-1 | 6OQ | C6 H10 B N | B1(C=CC=CN.... |
94 | 1OWZ | - | 4FA | C8 H9 F O | c1cc(ccc1C.... |
95 | 4I7Q | - | 1DQ | C4 H3 F3 N2 | c1c([nH]cn.... |
96 | 4EKS | - | 0R1 | C7 H5 N O | c1ccc2c(c1.... |
97 | 4I7M | Ka = 13900 M^-1 | 2LP | C9 H10 O | C=CCc1cccc.... |
98 | 4I7J | Kd = 480 uM | BNZ | C6 H6 | c1ccccc1 |
99 | 4I7N | - | 1DJ | C9 H8 O | C#C[C@H](c.... |
100 | 4I7S | - | 1DV | C5 H5 F3 N2 | Cc1cc(n[nH.... |
101 | 4I7P | Ka = 3155 M^-1 | ES3 | C3 H3 Br N2 | c1c(nc[nH].... |
102 | 4EKQ | Kd = 2 uM | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
103 | 4I7L | Kd = 103 uM | IPH | C6 H6 O | c1ccc(cc1).... |
104 | 4EKR | - | 0R0 | C7 H5 N O | c1ccc(c(c1.... |
105 | 4I7R | - | 1DU | C5 H8 N2 O | c1cnn(c1)C.... |
106 | 4I7K | Kd = 905 uM | MBN | C7 H8 | Cc1ccccc1 |
107 | 4I7T | - | 1DW | C7 H5 Br O2 | c1cc(c(cc1.... |
108 | 4EKP | - | NBZ | C6 H5 N O2 | c1ccc(cc1).... |
109 | 4I7O | - | 1DH | C3 H3 Cl N2 S | c1c(sc(n1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 11 families. | |||||
1 | 3DN4 | Ka = 51800 M^-1 | PIH | C6 H5 I | c1ccc(cc1).... |
2 | 1LI2 | Kd = 91 uM | IPH | C6 H6 O | c1ccc(cc1).... |
3 | 3HH3 | - | B20 | C4 H6 B N | B1C=CC=CN1 |
4 | 4W53 | Kd = 102 uM | MBN | C7 H8 | Cc1ccccc1 |
5 | 3DMZ | - | HFB | C6 F6 | c1(c(c(c(c.... |
6 | 2OTZ | Kd = 357 uM | 1MR | C7 H9 N | CNc1ccccc1 |
7 | 1LI6 | Ka = 6300 M^-1 | 5MP | C5 H7 N | Cc1cc[nH]c.... |
8 | 5G27 | - | MTN | C10 H18 N O3 S2 | CC1(C=C(C(.... |
9 | 225L | - | PXY | C8 H10 | Cc1ccc(cc1.... |
10 | 1OV5 | - | 2LP | C9 H10 O | C=CCc1cccc.... |
11 | 2RBN | - | 264 | C8 H8 N2 | c1ccc(cc1).... |
12 | 1OV7 | - | LYL | C10 H12 O | Cc1cccc(c1.... |
13 | 2OTY | Kd = 21 uM | YAN | C6 H4 Cl2 | c1ccc(c(c1.... |
14 | 1LGX | - | 5AN | C6 H5 F2 N | c1c(cc(cc1.... |
15 | 4W54 | Kd = 68 uM | PYJ | C8 H10 | CCc1ccccc1 |
16 | 1L83 | Kd = 0.4 mM | BNZ | C6 H6 | c1ccccc1 |
17 | 3HT8 | Kd = 0.12 mM | JZ2 | C7 H7 Cl O | Cc1ccc(cc1.... |
18 | 3DNA | Ka = 40900 M^-1 | PIH | C6 H5 I | c1ccc(cc1).... |
19 | 3HH6 | - | PYJ | C8 H10 | CCc1ccccc1 |
20 | 2RB1 | - | 261 | C8 H10 O2 | CCOc1ccccc.... |
21 | 1NHB | Ka = 14800 M^-1 | PYJ | C8 H10 | CCc1ccccc1 |
22 | 2RAY | - | 258 | C8 H9 Cl O | c1ccc(cc1).... |
23 | 3HUA | Kd = 0.278 mM | JZ9 | C8 H11 N | c1c[nH]c2c.... |
24 | 3DN2 | - | BBF | C6 Br F5 | c1(c(c(c(c.... |
25 | 2F47 | Kd = 148 mM | MGX | C2 H7 N3 | [H]/N=C(/N.... |
26 | 2RBO | - | 265 | C4 H3 N O2 S | c1cc(sc1)[.... |
27 | 3DN0 | - | F5B | C6 H F5 | c1c(c(c(c(.... |
28 | 185L | Kd = 289 uM | IND | C8 H7 N | c1ccc2c(c1.... |
29 | 186L | Kd = 14 uM | N4B | C10 H14 | CCCCc1cccc.... |
30 | 3GUK | Ka = 14100 M^-1 | MBN | C7 H8 | Cc1ccccc1 |
31 | 5JWV | Ka = 14100 M^-1 | PYJ | C8 H10 | CCc1ccccc1 |
32 | 4W52 | Kd = 175 uM | BNZ | C6 H6 | c1ccccc1 |
33 | 1XEP | - | CAQ | C6 H6 O2 | c1ccc(c(c1.... |
34 | 3HTG | - | JZ7 | C7 H12 O2 | CCO[C@@H]1.... |
35 | 227L | - | BNZ | C6 H6 | c1ccccc1 |
36 | 3HU8 | Kd = 0.79 mM | 261 | C8 H10 O2 | CCOc1ccccc.... |
37 | 3HTF | - | JZ6 | C3 H3 Cl N2 | c1c(cn[nH].... |
38 | 2RBP | - | 266 | C5 H12 O S | CCCSCCO |
39 | 3HH4 | - | BNZ | C6 H6 | c1ccccc1 |
40 | 2RAZ | - | 259 | C7 H7 N O2 S | CSc1ccc(cc.... |
41 | 182L | Ka = 8900 M^-1 | BZF | C8 H6 O | c1ccc2c(c1.... |
42 | 1OVH | - | 2CM | C7 H8 Cl N | Cc1cccc(c1.... |
43 | 3HT6 | Kd = 0.36 mM | JZ0 | C7 H8 O | Cc1ccccc1O |
44 | 5JWS | Ka = 9000 M^-1 | 6OQ | C6 H10 B N | B1(C=CC=CN.... |
45 | 1L84 | - | BNZ | C6 H6 | c1ccccc1 |
46 | 3HUQ | Kd = 0.25 mM | J1Z | C6 H4 S2 | c1csc2c1sc.... |
47 | 3DMX | Kd = 58.5 uM | BNZ | C6 H6 | c1ccccc1 |
48 | 188L | Kd = 469 uM | OXE | C8 H10 | Cc1ccccc1C |
49 | 3DN8 | - | IBF | C6 F5 I | c1(c(c(c(c.... |
50 | 3HT9 | - | JZ3 | C7 H8 O2 | COc1ccccc1.... |
51 | 4W57 | Kd = 14 uM | N4B | C10 H14 | CCCCc1cccc.... |
52 | 5JWT | Ka = 18900 M^-1 | BNZ | C6 H6 | c1ccccc1 |
53 | 3GUM | Ka = 6610 M^-1 | PXY | C8 H10 | Cc1ccc(cc1.... |
54 | 181L | Ka = 5700 M^-1 | BNZ | C6 H6 | c1ccccc1 |
55 | 3DN3 | Ka = 3330 M^-1 | IBF | C6 F5 I | c1(c(c(c(c.... |
56 | 2RBQ | - | 263 | C8 H9 N3 | Cc1cccc(c1.... |
57 | 2RB2 | - | 263 | C8 H9 N3 | Cc1cccc(c1.... |
58 | 3RUN | Kd = 3.6 uM | MLU OMZ ASN GHP GHP OMY 3FG BGC RER | n/a | n/a |
59 | 1LI3 | Kd = 56 uM | 3CH | C6 H5 Cl O | c1cc(cc(c1.... |
60 | 2RBR | - | 268 | C8 H10 O2 | c1ccc(cc1).... |
61 | 5JWU | Ka = 87700 M^-1 | B20 | C4 H6 B N | B1C=CC=CN1 |
62 | 3GUL | Ka = 22800 M^-1 | PYJ | C8 H10 | CCc1ccccc1 |
63 | 4W58 | - | 3H2 | C11 H16 | CCCCCc1ccc.... |
64 | 184L | Ka = 51000 M^-1 | I4B | C10 H14 | CC(C)Cc1cc.... |
65 | 3GUO | Ka = 9150 M^-1 | IPH | C6 H6 O | c1ccc(cc1).... |
66 | 3HTD | - | JZ5 | C5 H5 N O S | c1cc(sc1)/.... |
67 | 3HTB | Kd = 73.9 uM | JZ4 | C9 H12 O | CCCc1ccccc.... |
68 | 187L | Kd = 422 uM | PXY | C8 H10 | Cc1ccc(cc1.... |
69 | 1OVJ | - | FLM | C7 H8 F N | Cc1c(cccc1.... |
70 | 4W55 | Kd = 18 uM | 3H0 | C9 H12 | CCCc1ccccc.... |
71 | 3GUJ | Ka = 37200 M^-1 | BNZ | C6 H6 | c1ccccc1 |
72 | 5LWO | - | RXR | C10 H18 N O S2 | CC1(C(=C(C.... |
73 | 3HU9 | - | NBE | C6 H5 N O | c1ccc(cc1).... |
74 | 1LGW | Kd = 100 uM | 1AN | C6 H6 F N | c1ccc(c(c1.... |
75 | 3DN6 | - | F3B | C6 Cl3 F3 | c1(c(c(c(c.... |
76 | 2RB0 | - | 260 | C7 H5 Br F2 | c1cc(c(c(c.... |
77 | 2RBS | - | 269 | C9 H11 Cl O | c1ccc(cc1).... |
78 | 2OU0 | Kd = 592 uM | MR3 | C5 H7 N | Cn1cccc1 |
79 | 3HH5 | - | B24 | C6 H10 B N | B1C=CC=CN1.... |
80 | 220L | Kd = 0.4 mM | BNZ | C6 H6 | c1ccccc1 |
81 | 5JDT | - | MTN | C10 H18 N O3 S2 | CC1(C=C(C(.... |
82 | 1OVK | - | NYL | C9 H11 N | C=CCNc1ccc.... |
83 | 3HUK | Kd = 0.35 mM | J0Z | C9 H10 O2 | CC(=O)OCc1.... |
84 | 4W59 | - | 3GZ | C12 H18 | CCCCCCc1cc.... |
85 | 223L | Kd = 0.4 mM | BNZ | C6 H6 | c1ccccc1 |
86 | 3GUP | - | 0PY | C5 H5 N | c1ccncc1 |
87 | 3HT7 | Kd = 0.28 mM | JZ1 | C8 H10 O | CCc1ccccc1.... |
88 | 1OWY | - | PRY | C9 H13 N | CCCc1ccccc.... |
89 | 3DN1 | - | BCF | C6 Cl F5 | c1(c(c(c(c.... |
90 | 4W56 | - | 3GY | C10 H14 | CC[C@@H](C.... |
91 | 183L | Ka = 5170 M^-1 | DEN | C9 H8 | c1ccc2c(c1.... |
92 | 2F32 | Kd = 73 mM | EGD | C3 H9 N3 | [H]/N=C(N).... |
93 | 5JWW | Ka = 20800 M^-1 | 6OQ | C6 H10 B N | B1(C=CC=CN.... |
94 | 1OWZ | - | 4FA | C8 H9 F O | c1cc(ccc1C.... |
95 | 4I7Q | - | 1DQ | C4 H3 F3 N2 | c1c([nH]cn.... |
96 | 4EKS | - | 0R1 | C7 H5 N O | c1ccc2c(c1.... |
97 | 4I7M | Ka = 13900 M^-1 | 2LP | C9 H10 O | C=CCc1cccc.... |
98 | 4I7J | Kd = 480 uM | BNZ | C6 H6 | c1ccccc1 |
99 | 4I7N | - | 1DJ | C9 H8 O | C#C[C@H](c.... |
100 | 4I7S | - | 1DV | C5 H5 F3 N2 | Cc1cc(n[nH.... |
101 | 4I7P | Ka = 3155 M^-1 | ES3 | C3 H3 Br N2 | c1c(nc[nH].... |
102 | 4EKQ | Kd = 2 uM | NPO | C6 H5 N O3 | c1cc(ccc1[.... |
103 | 4I7L | Kd = 103 uM | IPH | C6 H6 O | c1ccc(cc1).... |
104 | 4EKR | - | 0R0 | C7 H5 N O | c1ccc(c(c1.... |
105 | 4I7R | - | 1DU | C5 H8 N2 O | c1cnn(c1)C.... |
106 | 4I7K | Kd = 905 uM | MBN | C7 H8 | Cc1ccccc1 |
107 | 4I7T | - | 1DW | C7 H5 Br O2 | c1cc(c(cc1.... |
108 | 4EKP | - | NBZ | C6 H5 N O2 | c1ccc(cc1).... |
109 | 4I7O | - | 1DH | C3 H3 Cl N2 S | c1c(sc(n1).... |
No: | Ligand | Similarity coefficient |
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