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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 67 families. | |||||
1 | 1ONQ | - | SLF | C42 H81 N O11 S | CCCCCCCCCC.... |
2 | 4X6E | - | 42H | C26 H53 N O7 P | CCCCCCCC/C.... |
3 | 4X6F | - | 3XU | C47 H94 N2 O6 P | CCCCCCCCCC.... |
4 | 6NUX | - | FOF | C15 H26 O | CC(=CCC/C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 45 families. | |||||
1 | 5WKE | - | P50 | C40 H76 N O9 P | CCCCCCCCCC.... |
2 | 1GZQ | - | PII | C42 H81 O13 P | CCCCCCCCCC.... |
3 | 6D64 | - | POV | C42 H82 N O8 P | CCCCCCCCCC.... |
4 | 5L2J | - | 70E | C42 H82 O8 | CCCCCCCCCC.... |
5 | 5WL1 | - | D3D | C40 H77 O10 P | CCCCCCCCCC.... |
6 | 5WKG | - | CUY | C42 H84 O2 | CCCCCCCCCC.... |
7 | 2H26 | - | 6UL | C40 H80 O2 | CCCCCCCCCC.... |
8 | 3GMM | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
9 | 3G08 | Kd = 6.843 nM | FEE | C39 H77 N O9 | CCCCCCCCCC.... |
10 | 3MA7 | - | CD4 | C65 H126 O17 P2 | CCCCCCCCCC.... |
11 | 1Z5L | - | PBS | C32 H63 N O9 | CCCCCCCCCC.... |
12 | 5TW5 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
13 | 6CYW | - | FO4 | C47 H94 N2 O6 P | CCCCCCCCCC.... |
14 | 3ILQ | Kd = 6.2 uM | 1O2 | C43 H80 O10 | CCCCCCCCCC.... |
15 | 3GMR | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
16 | 3T1F | - | 3TF | C43 H80 O10 | CCCCCCCCCC.... |
17 | 3GMQ | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
18 | 6BMH | - | F61 | C35 H69 N O9 | CCCCCCCCCC.... |
19 | 6OJP | - | 7LP | C34 H58 N2 O10 | CCCCCCCC(=.... |
20 | 2AKR | - | CIS | C48 H91 N O11 S | CCCCCCCCCC.... |
21 | 3GMP | - | PBS | C32 H63 N O9 | CCCCCCCCCC.... |
22 | 3AU1 | - | BGC ERA GAL | n/a | n/a |
23 | 3GMN | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
24 | 5TW2 | - | 7LP | C34 H58 N2 O10 | CCCCCCCC(=.... |
25 | 3GML | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
26 | 2Q7Y | - | IGC | C44 H81 N O18 | CCCCCCCCCC.... |
27 | 6BMK | - | F57 | C31 H61 O8 P | CCCCCCCCCC.... |
28 | 3ILP | - | 1L2 | C45 H80 O10 | CCCCCCCC/C.... |
29 | 3GMO | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
30 | 2FIK | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
31 | 1ONQ | - | SLF | C42 H81 N O11 S | CCCCCCCCCC.... |
32 | 4X6E | - | 42H | C26 H53 N O7 P | CCCCCCCC/C.... |
33 | 4X6F | - | 3XU | C47 H94 N2 O6 P | CCCCCCCCCC.... |
34 | 6NUX | - | FOF | C15 H26 O | CC(=CCC/C(.... |
35 | 4F7E | - | 0SH | C40 H79 N O9 | CCCCCCCCCC.... |
36 | 5C9J | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
37 | 3L9R | - | L9Q | C41 H80 N O8 P | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3XU | 1 | 1 |
2 | FO4 | 0.759036 | 1 |
3 | 1PX | 0.666667 | 0.822581 |
4 | 1PZ | 0.666667 | 0.822581 |
5 | SPU | 0.590361 | 0.903226 |
6 | 42H | 0.579545 | 0.857143 |
7 | PCW | 0.537634 | 0.825397 |
8 | 16C | 0.5125 | 0.619048 |
9 | SPL | 0.5125 | 0.619048 |
10 | 18C | 0.5125 | 0.619048 |
11 | 1PW | 0.511905 | 0.806452 |
12 | 6CM | 0.487805 | 0.619048 |
13 | CIS | 0.485714 | 0.621951 |
14 | PSC | 0.485149 | 0.825397 |
15 | LP3 | 0.477273 | 0.84127 |
16 | LAP | 0.477273 | 0.84127 |
17 | K6G | 0.477273 | 0.84127 |
18 | LPC | 0.477273 | 0.84127 |
19 | OPC | 0.46 | 0.8125 |
20 | EIS | 0.457143 | 0.621951 |
21 | SLF | 0.457143 | 0.621951 |
22 | HGP | 0.44086 | 0.809524 |
23 | HGX | 0.44086 | 0.809524 |
24 | LIO | 0.44086 | 0.809524 |
25 | 6PL | 0.44086 | 0.809524 |
26 | PLD | 0.44086 | 0.809524 |
27 | PC7 | 0.44086 | 0.809524 |
28 | PX4 | 0.44086 | 0.809524 |
29 | 0SG | 0.440367 | 0.62963 |
30 | 6OU | 0.428571 | 0.738462 |
31 | LOP | 0.428571 | 0.738462 |
32 | L9Q | 0.428571 | 0.738462 |
33 | POV | 0.425743 | 0.761905 |
34 | LBN | 0.425743 | 0.761905 |
35 | L9R | 0.425743 | 0.761905 |
36 | RXY | 0.424242 | 0.738462 |
37 | LPE | 0.420455 | 0.822581 |
38 | ZPE | 0.42 | 0.738462 |
39 | DHG | 0.413043 | 0.761905 |
40 | 2ED | 0.409639 | 0.603175 |
41 | PQJ | 0.405063 | 0.770492 |
42 | XP5 | 0.404255 | 0.809524 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4x6f.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |