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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 197 families. | |||||
1 | 4GHP | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
2 | 4GJQ | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
3 | 2EVL | Kd = 0.2 uM | GAL SPH EIC | n/a | n/a |
4 | 3RIC | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
5 | 3S0I | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
6 | 2BV7 | - | GM3 | C50 H99 N O8 | CCCCCCCCCC.... |
7 | 4GXD | - | 0SG | C36 H69 N O14 S2 | CCCCCCCCCC.... |
8 | 2EUM | Kd = 0.2 uM | BGC SPH GAL OCA | n/a | n/a |
9 | 3S0K | - | 03F | C42 H79 N O8 | CCCCCCCCCC.... |
10 | 4GIX | - | 0SG | C36 H69 N O14 S2 | CCCCCCCCCC.... |
11 | 4GXG | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
12 | 4GH0 | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
13 | 1WBE | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
14 | 3RZN | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
15 | 2EVD | - | BGC SPH GAL DAO | n/a | n/a |
16 | 1TFJ | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
17 | 2EUK | Kd = 0.25 uM | GAL SPH NER | n/a | n/a |
18 | 4H2Z | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
19 | 2EVS | - | GLC HEX | n/a | n/a |
20 | 1SX6 | - | BGC SPH GAL OLA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 4GHP | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
2 | 4GJQ | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
3 | 2EVL | Kd = 0.2 uM | GAL SPH EIC | n/a | n/a |
4 | 3RIC | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
5 | 3S0I | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
6 | 2BV7 | - | GM3 | C50 H99 N O8 | CCCCCCCCCC.... |
7 | 4GXD | - | 0SG | C36 H69 N O14 S2 | CCCCCCCCCC.... |
8 | 2EUM | Kd = 0.2 uM | BGC SPH GAL OCA | n/a | n/a |
9 | 3S0K | - | 03F | C42 H79 N O8 | CCCCCCCCCC.... |
10 | 4GIX | - | 0SG | C36 H69 N O14 S2 | CCCCCCCCCC.... |
11 | 4GXG | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
12 | 4GH0 | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
13 | 1WBE | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
14 | 3RZN | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
15 | 2EVD | - | BGC SPH GAL DAO | n/a | n/a |
16 | 1TFJ | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
17 | 2EUK | Kd = 0.25 uM | GAL SPH NER | n/a | n/a |
18 | 4H2Z | - | EIS | C36 H69 N O11 S | CCCCCCCCCC.... |
19 | 2EVS | - | GLC HEX | n/a | n/a |
20 | 1SX6 | - | BGC SPH GAL OLA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UND | 1 | 1 |
2 | D10 | 1 | 1 |
3 | C14 | 1 | 1 |
4 | MYS | 1 | 1 |
5 | TWT | 1 | 1 |
6 | R16 | 1 | 1 |
7 | LFA | 1 | 1 |
8 | TRD | 1 | 1 |
9 | DD9 | 1 | 1 |
10 | D12 | 1 | 1 |
11 | 8K6 | 1 | 1 |
12 | OCT | 0.909091 | 1 |
13 | HP6 | 0.75 | 0.916667 |
14 | HEX | 0.636364 | 0.833333 |
15 | IHD | 0.611111 | 0.733333 |
16 | UPL | 0.52381 | 0.923077 |
17 | LNK | 0.5 | 0.666667 |
18 | UNA | 0.5 | 0.733333 |
19 | 8YP | 0.5 | 0.733333 |
20 | OCD | 0.5 | 0.733333 |
21 | OYA | 0.454545 | 0.733333 |
22 | JAO | 0.423077 | 0.6 |
23 | 5BR | 0.411765 | 0.6 |
24 | 7CL | 0.411765 | 0.6 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BGC SPH GAL OCA | 1 | 1 |
2 | GAL SPH EIC | 0.742268 | 0.964286 |
3 | BGC SPH GAL OLA | 0.708333 | 0.964286 |
4 | BGC SPH GAL DAO | 0.708333 | 0.964286 |
5 | BGC 18C GAL | 0.666667 | 0.931035 |
6 | IGC | 0.633027 | 0.931035 |
7 | LGN | 0.633027 | 0.931035 |
8 | GAL SPH NER | 0.60396 | 0.946429 |
9 | UMQ | 0.521739 | 0.75 |
10 | DMU | 0.521739 | 0.75 |
11 | LMT | 0.521739 | 0.75 |
12 | LMU | 0.521739 | 0.75 |
13 | 03F | 0.504673 | 0.896552 |
14 | GGD | 0.478632 | 0.758621 |
15 | BGC ERA GAL | 0.471545 | 0.948276 |
16 | 3TF | 0.463636 | 0.724138 |
17 | 6UZ | 0.459184 | 0.666667 |
18 | 1O2 | 0.454545 | 0.724138 |
19 | GLC NBU GAL GLA | 0.452632 | 0.696429 |
20 | JLS | 0.447368 | 0.864407 |
21 | BGC 18C GAL SIA | 0.445205 | 0.84375 |
22 | BGC 5VQ GAL GLA | 0.43617 | 0.660714 |
23 | BGC 18C GAL SIA NGA GAL | 0.433962 | 0.84375 |
24 | 10M | 0.425743 | 0.711864 |
25 | 1L2 | 0.423729 | 0.724138 |
26 | DB6 | 0.421488 | 0.864407 |
27 | GM3 | 0.412844 | 0.862069 |
28 | EIS | 0.410256 | 0.706667 |
29 | SLF | 0.410256 | 0.706667 |
30 | GLC EDO GLC | 0.408602 | 0.625 |
31 | 0SH | 0.405405 | 0.847458 |
32 | AGH | 0.405405 | 0.847458 |
33 | F61 | 0.405405 | 0.847458 |
34 | PBS | 0.405405 | 0.847458 |
35 | FEE | 0.405405 | 0.847458 |
36 | BGC 16C GAL SIA | 0.402685 | 0.84375 |
37 | CIS | 0.4 | 0.706667 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SPD | 0.9899 |
2 | ODI | 0.9831 |
3 | DIA | 0.9682 |
4 | HPL | 0.9637 |
5 | 37Z | 0.9599 |
6 | OC9 | 0.9594 |
7 | DE1 | 0.9499 |
8 | NSD | 0.9471 |
9 | SS9 | 0.9428 |
10 | OCA | 0.9425 |
11 | 8AC | 0.9424 |
12 | HNE | 0.9414 |
13 | 011 | 0.9410 |
14 | AE3 | 0.9391 |
15 | N8C | 0.9373 |
16 | MLZ | 0.9373 |
17 | FXY | 0.9335 |
18 | KNA | 0.9309 |
19 | DKA | 0.9309 |
20 | GC7 | 0.9278 |
21 | TEG | 0.9239 |
22 | 7XA | 0.9221 |
23 | NWH | 0.9172 |
24 | BHL | 0.9152 |
25 | GVA | 0.9150 |
26 | 9J6 | 0.9149 |
27 | ENV | 0.9112 |
28 | PML | 0.9108 |
29 | BHL BHL | 0.9087 |
30 | U4G | 0.9076 |
31 | KQY | 0.9070 |
32 | MHN | 0.9052 |
33 | 6XA | 0.9035 |
34 | M1T | 0.9030 |
35 | LPA | 0.9028 |
36 | ARG | 0.9028 |
37 | 4DI | 0.9024 |
38 | 16D | 0.8995 |
39 | 3OL | 0.8993 |
40 | NOT | 0.8993 |
41 | EXY | 0.8991 |
42 | HE4 | 0.8985 |
43 | ACA | 0.8985 |
44 | BHH | 0.8981 |
45 | NTU | 0.8971 |
46 | PG0 | 0.8969 |
47 | N6C | 0.8963 |
48 | AG2 | 0.8957 |
49 | OKS | 0.8956 |
50 | LYS | 0.8949 |
51 | GRQ | 0.8946 |
52 | AJ3 | 0.8939 |
53 | 5UF | 0.8938 |
54 | SSB | 0.8934 |
55 | NMH | 0.8928 |
56 | GLY GLY GLY | 0.8922 |
57 | 3OM | 0.8918 |
58 | ONH | 0.8918 |
59 | ENW | 0.8912 |
60 | KAP | 0.8912 |
61 | OKP | 0.8897 |
62 | 1H1 | 0.8887 |
63 | HPO | 0.8881 |
64 | MGB | 0.8871 |
65 | 64Z | 0.8868 |
66 | HRG | 0.8864 |
67 | OHJ | 0.8860 |
68 | SLZ | 0.8860 |
69 | PUW | 0.8855 |
70 | RED | 0.8852 |
71 | SHV | 0.8840 |
72 | HPN | 0.8824 |
73 | 8SZ | 0.8819 |
74 | DNN | 0.8813 |
75 | 58X | 0.8812 |
76 | 2J3 | 0.8804 |
77 | 9OD | 0.8803 |
78 | XOG | 0.8803 |
79 | HAR | 0.8781 |
80 | MLY | 0.8772 |
81 | NPI | 0.8760 |
82 | GGG | 0.8755 |
83 | 1N5 | 0.8748 |
84 | 5XA | 0.8746 |
85 | BOW | 0.8738 |
86 | A98 | 0.8706 |
87 | JX7 | 0.8706 |
88 | Q9C | 0.8703 |
89 | GGB | 0.8698 |
90 | ALY | 0.8696 |
91 | 11A | 0.8686 |
92 | NF3 | 0.8680 |
93 | 6HN | 0.8672 |
94 | ZE7 | 0.8664 |
95 | HJD | 0.8655 |
96 | DAR | 0.8649 |
97 | DHH | 0.8625 |
98 | X1R | 0.8585 |
99 | S7S | 0.8574 |
100 | NMM | 0.8568 |
101 | NFZ | 0.8539 |
102 | 4JK | 0.8538 |
103 | MVH | 0.8505 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2evl.bio1) has 78 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |