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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 3CPO | - | FP2 | C6 H5 F O | c1ccc(c(c1.... |
2 | 1W6Y | Kd = 4.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
3 | 5AI1 | Kd = 0.34 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
4 | 5G2G | Kd = 0.9 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
5 | 6C17 | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
6 | 1GS3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
7 | 5KP1 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
8 | 1OHO | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
9 | 1CQS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
10 | 3OWY | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
11 | 5KP4 | - | 6VW | C18 H26 O2 | C[C@]12CC[.... |
12 | 3IPT | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
13 | 1OH0 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
14 | 1OGX | Kd = 0.81 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
15 | 1E3V | Kd = 45.74 uM | DXC | C24 H40 O4 | C[C@H](CCC.... |
16 | 6C1J | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
17 | 6UFS | - | Q6J | C18 H28 O2 | C[C@]12CC[.... |
18 | 2PZV | Kd = 135 uM | IPH | C6 H6 O | c1ccc(cc1).... |
19 | 3FZW | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
20 | 6C1X | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
21 | 3T8N | - | EDT | C10 H16 N2 O8 | C(CN(CC(=O.... |
22 | 1E3R | - | AND | C19 H28 O2 | C[C@]12CC[.... |
23 | 2INX | - | FFP | C6 H4 F2 O | c1cc(c(c(c.... |
24 | 3OWU | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
25 | 5KP3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
26 | 3OWS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3CPO | - | FP2 | C6 H5 F O | c1ccc(c(c1.... |
2 | 1W6Y | Kd = 4.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
3 | 5AI1 | Kd = 0.34 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
4 | 5G2G | Kd = 0.9 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
5 | 6C17 | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
6 | 1GS3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
7 | 5KP1 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
8 | 1OHO | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
9 | 1CQS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
10 | 3OWY | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
11 | 5KP4 | - | 6VW | C18 H26 O2 | C[C@]12CC[.... |
12 | 3IPT | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
13 | 1OH0 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
14 | 1OGX | Kd = 0.81 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
15 | 1E3V | Kd = 45.74 uM | DXC | C24 H40 O4 | C[C@H](CCC.... |
16 | 6C1J | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
17 | 6UFS | - | Q6J | C18 H28 O2 | C[C@]12CC[.... |
18 | 2PZV | Kd = 135 uM | IPH | C6 H6 O | c1ccc(cc1).... |
19 | 3FZW | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
20 | 6C1X | - | DNX | C6 H4 N2 O5 | c1cc(c(cc1.... |
21 | 3T8N | - | EDT | C10 H16 N2 O8 | C(CN(CC(=O.... |
22 | 1E3R | - | AND | C19 H28 O2 | C[C@]12CC[.... |
23 | 2INX | - | FFP | C6 H4 F2 O | c1cc(c(c(c.... |
24 | 3OWU | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
25 | 5KP3 | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
26 | 3OWS | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
27 | 1OHS | - | 5SD | C19 H28 O2 | C[C@]12CCC.... |
28 | 5UGI | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
29 | 1OHP | - | ESR | C18 H26 O2 | C[C@]12CC[.... |
30 | 1QJG | - | EQU | C18 H18 O2 | C[C@]12CCc.... |
31 | 1OGZ | Kd = 1.4 uM | EQU | C18 H18 O2 | C[C@]12CCc.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5SD | 0.9955 |
2 | TES | 0.9942 |
3 | DHT | 0.9940 |
4 | AOX | 0.9934 |
5 | AOM | 0.9911 |
6 | FFA | 0.9903 |
7 | ANB | 0.9896 |
8 | AOI | 0.9816 |
9 | ANO | 0.9753 |
10 | NQ8 | 0.9744 |
11 | AON | 0.9736 |
12 | BDT | 0.9671 |
13 | ESR | 0.9601 |
14 | 6VW | 0.9584 |
15 | STR | 0.9513 |
16 | EST | 0.9445 |
17 | R18 | 0.9444 |
18 | EQU | 0.9379 |
19 | CI2 | 0.9375 |
20 | J3Z | 0.9313 |
21 | 17M | 0.9224 |
22 | NDR | 0.9223 |
23 | 1CA | 0.9137 |
24 | 17H | 0.9097 |
25 | NOG | 0.9077 |
26 | ESZ | 0.9063 |
27 | CUE | 0.9055 |
28 | ECS | 0.9031 |
29 | ESL | 0.9029 |
30 | C0R | 0.8988 |
31 | XYP XYP | 0.8951 |
32 | CX6 | 0.8906 |
33 | 397 | 0.8885 |
34 | PDN | 0.8862 |
35 | EES | 0.8860 |
36 | AS4 | 0.8854 |
37 | GEN | 0.8847 |
38 | HCY | 0.8830 |
39 | 789 | 0.8828 |
40 | SDN | 0.8808 |
41 | TUA | 0.8794 |
42 | 7G0 | 0.8789 |
43 | K7H | 0.8787 |
44 | ZK5 | 0.8781 |
45 | PIQ | 0.8781 |
46 | 3G6 | 0.8773 |
47 | ESM | 0.8763 |
48 | 1DR | 0.8755 |
49 | AP6 | 0.8749 |
50 | IXM | 0.8743 |
51 | 801 | 0.8717 |
52 | BMZ | 0.8706 |
53 | 1FL | 0.8702 |
54 | 0FR | 0.8697 |
55 | Z94 | 0.8696 |
56 | ADL | 0.8694 |
57 | 18E | 0.8692 |
58 | XYS XYP | 0.8675 |
59 | 0NJ | 0.8674 |
60 | WLH | 0.8666 |
61 | 3WF | 0.8665 |
62 | WV7 | 0.8664 |
63 | EED | 0.8662 |
64 | XYS XYS | 0.8662 |
65 | 2WU | 0.8654 |
66 | YZ9 | 0.8648 |
67 | 8SK | 0.8639 |
68 | V13 | 0.8621 |
69 | 1V4 | 0.8617 |
70 | 1HP | 0.8612 |
71 | HNT | 0.8611 |
72 | ZSP | 0.8602 |
73 | 79X | 0.8597 |
74 | S98 | 0.8596 |
75 | DEX | 0.8583 |
76 | H4B | 0.8555 |
77 | 5OR | 0.8550 |
78 | 2V4 | 0.8544 |
79 | 16G | 0.8540 |
80 | BIO | 0.8529 |
81 | 0LA | 0.8506 |
This union binding pocket(no: 1) in the query (biounit: 5ai1.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ai1.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |