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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 3T3R | Ki = 101 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
2 | 2FDY | - | D4G | C10 H8 N2 S2 | c1cnccc1SS.... |
3 | 2FDV | Ki = 800 nM | D2G | C11 H12 N2 O | CNCc1ccc(o.... |
4 | 4EJH | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
5 | 3EBS | Kd = 21 uM | N4E | C10 H13 N O2 | CCOc1ccc(c.... |
6 | 1Z10 | Kd = 0.27 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
7 | 4EJI | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
8 | 2FDU | Ki = 14200 nM | D1G | C12 H14 N2 O | CN(C)Cc1cc.... |
9 | 2FDW | Ki = 130 nM | D3G | C10 H10 N2 O | c1cc(cnc1).... |
10 | 2P85 | - | IND | C8 H7 N | c1ccc2c(c1.... |
11 | 1Z11 | Kd = 1.9 uM | 8MO | C12 H8 O4 | COc1c2c(cc.... |
12 | 4EJJ | Kd = 470 uM | NCT | C10 H14 N2 | C[N@@]1CCC.... |
13 | 4EJG | - | NCT | C10 H14 N2 | C[N@@]1CCC.... |
14 | 3T3Q | Ki = 49 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
15 | 5E58 | Kd = 2.3 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
16 | 1NR6 | Kd ~ 50 uM | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
17 | 1N6B | Kd = 20 uM | DMZ | C17 H17 N3 O2 S | Cc1ccc(cc1.... |
18 | 4RRT | Kd = 1.82 uM | 3V4 | C10 H16 | CC1=CC[C@H.... |
19 | 4ZV8 | - | TMH | C10 H16 | CC1=CC[C@@.... |
20 | 5UEC | - | 85D | C10 H15 Br | CC1([C@@H].... |
21 | 3IBD | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
22 | 5UAP | - | 82S | C10 H17 Br | C[C@@]12CC.... |
23 | 4RQL | Kd = 0.08 uM | SNE | C10 H16 | CC(C)[C@@].... |
24 | 4I91 | Kd = 0.22 uM | TMH | C10 H16 | CC1=CC[C@@.... |
25 | 5UFG | - | 85D | C10 H15 Br | CC1([C@@H].... |
26 | 3QOA | Kd = 0.21 uM | 3QO | C12 H11 N | c1ccc(cc1).... |
27 | 5UDA | - | CAE | C10 H18 | CC1(C2CCC1.... |
28 | 2NNJ | Ki = 90 nM | 225 | C18 H19 Cl2 N O4 | CCOC(=O)C1.... |
29 | 3G5N | ic50 = 0.035 uM | PB2 | C16 H14 N2 | c1ccc(cc1).... |
30 | 3TMZ | ic50 = 2 uM | 06X | C20 H25 Cl N2 O5 | CCOC(=O)C1.... |
31 | 2BDM | ic50 = 0.9 uM | TMI | C22 H18 N2 | c1ccc(cc1).... |
32 | 4JLT | Kd = 0.7 uM | 8PR | C19 H20 F N O3 | c1cc(ccc1[.... |
33 | 4MGJ | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
34 | 1SUO | ic50 = 0.04 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
35 | 5W0C | - | 9W6 | C15 H12 N4 O4 S2 | CCOC(=O)NC.... |
36 | 4NZ2 | Kd = 2 uM | 2QJ | C16 H12 Br Cl F3 N O4 S | C[C@@](C(=.... |
37 | 5X24 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
38 | 5X23 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
39 | 1R9O | - | FLP | C15 H13 F O2 | C[C@@H](c1.... |
40 | 5XXI | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
41 | 5K7K | ic50 = 36 nM | 6RJ | C19 H12 Cl N5 O3 S2 | c1cc(c(cc1.... |
42 | 3T3Z | Ki = 765 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 3T3R | Ki = 101 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
2 | 2FDY | - | D4G | C10 H8 N2 S2 | c1cnccc1SS.... |
3 | 2FDV | Ki = 800 nM | D2G | C11 H12 N2 O | CNCc1ccc(o.... |
4 | 4EJH | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
5 | 3EBS | Kd = 21 uM | N4E | C10 H13 N O2 | CCOc1ccc(c.... |
6 | 1Z10 | Kd = 0.27 uM | COU | C9 H6 O2 | c1ccc2c(c1.... |
7 | 4EJI | Kd = 4.4 uM | 0QA | C10 H13 N3 O2 | CN(CCCC(=O.... |
8 | 2FDU | Ki = 14200 nM | D1G | C12 H14 N2 O | CN(C)Cc1cc.... |
9 | 2FDW | Ki = 130 nM | D3G | C10 H10 N2 O | c1cc(cnc1).... |
10 | 2P85 | - | IND | C8 H7 N | c1ccc2c(c1.... |
11 | 1Z11 | Kd = 1.9 uM | 8MO | C12 H8 O4 | COc1c2c(cc.... |
12 | 4EJJ | Kd = 470 uM | NCT | C10 H14 N2 | C[N@@]1CCC.... |
13 | 4EJG | - | NCT | C10 H14 N2 | C[N@@]1CCC.... |
14 | 3T3Q | Ki = 49 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
15 | 5E58 | Kd = 2.3 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
16 | 1NR6 | Kd ~ 50 uM | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
17 | 1N6B | Kd = 20 uM | DMZ | C17 H17 N3 O2 S | Cc1ccc(cc1.... |
18 | 4RRT | Kd = 1.82 uM | 3V4 | C10 H16 | CC1=CC[C@H.... |
19 | 4ZV8 | - | TMH | C10 H16 | CC1=CC[C@@.... |
20 | 5UEC | - | 85D | C10 H15 Br | CC1([C@@H].... |
21 | 3IBD | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
22 | 5UAP | - | 82S | C10 H17 Br | C[C@@]12CC.... |
23 | 4RQL | Kd = 0.08 uM | SNE | C10 H16 | CC(C)[C@@].... |
24 | 4I91 | Kd = 0.22 uM | TMH | C10 H16 | CC1=CC[C@@.... |
25 | 5UFG | - | 85D | C10 H15 Br | CC1([C@@H].... |
26 | 3QOA | Kd = 0.21 uM | 3QO | C12 H11 N | c1ccc(cc1).... |
27 | 5UDA | - | CAE | C10 H18 | CC1(C2CCC1.... |
28 | 2NNJ | Ki = 90 nM | 225 | C18 H19 Cl2 N O4 | CCOC(=O)C1.... |
29 | 4XRZ | ic50 = 0.37 uM | SI6 | C16 H16 F2 N4 O S | c1cc(c(cc1.... |
30 | 4WNU | - | QDN | C20 H24 N2 O2 | COc1ccc2c(.... |
31 | 4WNV | - | QI9 | C20 H24 N2 O2 | COc1ccc2c(.... |
32 | 4XRY | ic50 = 13.9 uM | SI5 | C17 H18 F2 N4 O S | Cn1cc(cn1).... |
33 | 3G5N | ic50 = 0.035 uM | PB2 | C16 H14 N2 | c1ccc(cc1).... |
34 | 3TMZ | ic50 = 2 uM | 06X | C20 H25 Cl N2 O5 | CCOC(=O)C1.... |
35 | 2BDM | ic50 = 0.9 uM | TMI | C22 H18 N2 | c1ccc(cc1).... |
36 | 4JLT | Kd = 0.7 uM | 8PR | C19 H20 F N O3 | c1cc(ccc1[.... |
37 | 4MGJ | - | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
38 | 1SUO | ic50 = 0.04 uM | CPZ | C9 H7 Cl N2 | c1cc(ccc1c.... |
39 | 5W0C | - | 9W6 | C15 H12 N4 O4 S2 | CCOC(=O)NC.... |
40 | 4NZ2 | Kd = 2 uM | 2QJ | C16 H12 Br Cl F3 N O4 S | C[C@@](C(=.... |
41 | 5X24 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
42 | 5X23 | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
43 | 1R9O | - | FLP | C15 H13 F O2 | C[C@@H](c1.... |
44 | 5XXI | - | LSN | C22 H23 Cl N6 O | CCCCc1nc(c.... |
45 | 5K7K | ic50 = 36 nM | 6RJ | C19 H12 Cl N5 O3 S2 | c1cc(c(cc1.... |
46 | 3T3Z | Ki = 765 uM | 9PL | C11 H16 N2 O2 | CC[C@H]1[C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XZ8 | 0.9293 |
2 | JMS | 0.9240 |
3 | 36Z | 0.9149 |
4 | ID8 | 0.9138 |
5 | QZ8 | 0.9102 |
6 | P9I | 0.9100 |
7 | 6J3 | 0.9099 |
8 | 25O | 0.9027 |
9 | 636 | 0.9020 |
10 | TLF | 0.9020 |
11 | 2LX | 0.9009 |
12 | 2GE | 0.8997 |
13 | 2GD | 0.8980 |
14 | B2T | 0.8975 |
15 | ABJ | 0.8954 |
16 | 43U | 0.8949 |
17 | SLY | 0.8941 |
18 | 17C | 0.8925 |
19 | 7NU | 0.8922 |
20 | 3B4 | 0.8903 |
21 | WVV | 0.8888 |
22 | TH4 | 0.8888 |
23 | URI | 0.8875 |
24 | BQ5 | 0.8874 |
25 | 6PB | 0.8867 |
26 | CJB | 0.8856 |
27 | CTN | 0.8856 |
28 | OFL | 0.8853 |
29 | AB3 | 0.8837 |
30 | DKZ | 0.8834 |
31 | 6KN | 0.8830 |
32 | 5E4 | 0.8823 |
33 | DKX | 0.8820 |
34 | 96R | 0.8814 |
35 | J47 | 0.8812 |
36 | K3Y | 0.8810 |
37 | AUV | 0.8805 |
38 | UUA | 0.8799 |
39 | RVC | 0.8798 |
40 | OBP | 0.8791 |
41 | ZY5 | 0.8773 |
42 | 1FL | 0.8769 |
43 | SOV | 0.8767 |
44 | RR7 GLC | 0.8762 |
45 | 2TU | 0.8754 |
46 | RVB | 0.8738 |
47 | ADN | 0.8737 |
48 | 56N | 0.8732 |
49 | 4E5 | 0.8732 |
50 | 5UD | 0.8731 |
51 | 43S | 0.8728 |
52 | KCH | 0.8725 |
53 | FNA | 0.8720 |
54 | GPK | 0.8714 |
55 | WUB | 0.8711 |
56 | X29 | 0.8710 |
57 | NFK | 0.8708 |
58 | Z15 | 0.8707 |
59 | 5P3 | 0.8707 |
60 | 683 | 0.8707 |
61 | AYS | 0.8706 |
62 | XYP GCU | 0.8705 |
63 | URD | 0.8702 |
64 | 4BH | 0.8699 |
65 | AKD | 0.8698 |
66 | Z57 | 0.8696 |
67 | 1ER | 0.8695 |
68 | 5AE | 0.8691 |
69 | NWW | 0.8690 |
70 | TYU | 0.8683 |
71 | H7S | 0.8683 |
72 | MEX | 0.8681 |
73 | DK4 | 0.8680 |
74 | GN6 | 0.8680 |
75 | THM | 0.8673 |
76 | AJD | 0.8668 |
77 | 3CA | 0.8665 |
78 | ZEB | 0.8664 |
79 | GEO | 0.8658 |
80 | A3K | 0.8652 |
81 | 3VO | 0.8650 |
82 | CJZ | 0.8649 |
83 | CTD | 0.8643 |
84 | 9RM | 0.8643 |
85 | GPQ | 0.8639 |
86 | SNI | 0.8638 |
87 | GPU | 0.8635 |
88 | AVA | 0.8635 |
89 | 4GP | 0.8635 |
90 | GLC GLC | 0.8634 |
91 | M4B | 0.8631 |
92 | 145 | 0.8629 |
93 | NOS | 0.8621 |
94 | 3RH | 0.8609 |
95 | EHR | 0.8607 |
96 | DNB | 0.8607 |
97 | 2AM | 0.8606 |
98 | A4G | 0.8605 |
99 | A9O | 0.8596 |
100 | TI7 | 0.8596 |
101 | BGC GLC | 0.8584 |
102 | Z2T | 0.8578 |
103 | FMB | 0.8574 |
104 | TBN | 0.8570 |
105 | 29B | 0.8566 |
106 | A7M | 0.8562 |
107 | RVD | 0.8551 |
108 | 4GU | 0.8550 |
109 | I5A | 0.8543 |
110 | 7ZL | 0.8540 |
111 | VCE | 0.8540 |
112 | W29 | 0.8534 |
113 | BP6 | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 1n6b.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1n6b.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1n6b.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1n6b.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1n6b.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |