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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4EB3 | - | 0O3 | C5 H12 O8 P2 | C=C(CCOP(=.... |
2 | 3SZO | - | H6P | C5 H12 O8 P2 | C/C(=CCO[P.... |
3 | 4H4E | ic50 = 0.21 uM | 10G | C5 H12 O7 P2 S | C/C(=CCOP(.... |
4 | 3UWM | - | 0K2 | C4 H10 O8 P2 | C(CC=O)COP.... |
5 | 4MUY | - | 2E5 | C6 H9 N O7 P2 | c1cnccc1CO.... |
6 | 4H4C | - | 10D | C5 H11 F O7 P2 | C/C(=CCOP(.... |
7 | 3SZU | - | H6P | C5 H12 O8 P2 | C/C(=CCO[P.... |
8 | 3UV7 | - | 0CN | C4 H8 O7 P2 | C=C=CCOP(=.... |
9 | 3SZL | - | H6P | C5 H12 O8 P2 | C/C(=CCO[P.... |
10 | 3URK | - | 0CG | C3 H6 O7 P2 | C#CCOP(=O).... |
11 | 3UV6 | - | 0CH | C4 H12 O8 P2 | C(CCOP(=O).... |
12 | 4MUX | - | 2E4 | C6 H9 N O7 P2 | c1cc(cnc1).... |
13 | 3UV3 | - | 0CM | C4 H8 O7 P2 | CC#CCOP(=O.... |
14 | 3T0G | - | H6P | C5 H12 O8 P2 | C/C(=CCO[P.... |
15 | 3UTC | - | 0JX | C4 H10 O8 P2 | C(COP(=O)(.... |
16 | 4MV5 | - | 2E7 | C6 H8 Cl N O7 P2 | c1cc(ncc1C.... |
17 | 3UTD | - | 0CJ | C5 H12 O8 P2 | CC(=O)CCCO.... |
18 | 3T0F | - | H6P | C5 H12 O8 P2 | C/C(=CCO[P.... |
19 | 4H4D | ic50 = 0.15 uM | 10E | C5 H13 N O7 P2 | C/C(=CCOP(.... |
20 | 4MV0 | - | 2E6 | C6 H9 N O7 P2 | c1ccnc(c1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4EB3 | - | 0O3 | C5 H12 O8 P2 | C=C(CCOP(=.... |
2 | 3SZO | - | H6P | C5 H12 O8 P2 | C/C(=CCO[P.... |
3 | 4H4E | ic50 = 0.21 uM | 10G | C5 H12 O7 P2 S | C/C(=CCOP(.... |
4 | 3UWM | - | 0K2 | C4 H10 O8 P2 | C(CC=O)COP.... |
5 | 4MUY | - | 2E5 | C6 H9 N O7 P2 | c1cnccc1CO.... |
6 | 4H4C | - | 10D | C5 H11 F O7 P2 | C/C(=CCOP(.... |
7 | 3SZU | - | H6P | C5 H12 O8 P2 | C/C(=CCO[P.... |
8 | 3UV7 | - | 0CN | C4 H8 O7 P2 | C=C=CCOP(=.... |
9 | 3SZL | - | H6P | C5 H12 O8 P2 | C/C(=CCO[P.... |
10 | 3URK | - | 0CG | C3 H6 O7 P2 | C#CCOP(=O).... |
11 | 3UV6 | - | 0CH | C4 H12 O8 P2 | C(CCOP(=O).... |
12 | 4MUX | - | 2E4 | C6 H9 N O7 P2 | c1cc(cnc1).... |
13 | 3UV3 | - | 0CM | C4 H8 O7 P2 | CC#CCOP(=O.... |
14 | 3T0G | - | H6P | C5 H12 O8 P2 | C/C(=CCO[P.... |
15 | 3UTC | - | 0JX | C4 H10 O8 P2 | C(COP(=O)(.... |
16 | 4MV5 | - | 2E7 | C6 H8 Cl N O7 P2 | c1cc(ncc1C.... |
17 | 3UTD | - | 0CJ | C5 H12 O8 P2 | CC(=O)CCCO.... |
18 | 3T0F | - | H6P | C5 H12 O8 P2 | C/C(=CCO[P.... |
19 | 4H4D | ic50 = 0.15 uM | 10E | C5 H13 N O7 P2 | C/C(=CCOP(.... |
20 | 4MV0 | - | 2E6 | C6 H9 N O7 P2 | c1ccnc(c1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0CJ | 1 | 1 |
2 | P25 | 0.536585 | 0.894737 |
3 | IPE | 0.536585 | 0.780488 |
4 | 0CH | 0.512195 | 0.75 |
5 | 0K2 | 0.488372 | 0.861111 |
6 | P23 | 0.487179 | 0.837838 |
7 | DED | 0.452381 | 0.666667 |
8 | 0O3 | 0.444444 | 0.674419 |
9 | IPR | 0.44186 | 0.842105 |
10 | DMA | 0.431818 | 0.682927 |
11 | DP6 | 0.411765 | 0.85 |
12 | P22 | 0.410256 | 0.72973 |
13 | 43W | 0.409091 | 0.763158 |
14 | EIP | 0.404255 | 0.820513 |
15 | 0JX | 0.4 | 0.783784 |
16 | 0CN | 0.4 | 0.666667 |
This union binding pocket(no: 1) in the query (biounit: 4h4d.bio2) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4h4d.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |