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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 7 families. | |||||
1 | 4K10 | Kd = 119.5 nM | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
2 | 4RXE | ic50 = 230 nM | 3YQ | C7 H12 N2 O6 P2 | Cc1cccnc1N.... |
3 | 2EWG | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
4 | 5AFX | ic50 = 1.2 uM | PVZ | C14 H29 N2 O7 P2 | CCCCCCCCCn.... |
5 | 3DYH | - | 721 | C11 H20 N O7 P2 | CCCCOc1ccc.... |
6 | 2I19 | - | 1BY | C7 H12 N2 O6 P2 | c1ccnc(c1).... |
7 | 3EGT | Ki = 32 nM | 722 | C14 H26 N O7 P2 | CCCCCCCOc1.... |
8 | 3EFQ | - | 714 | C15 H28 N O7 P2 | CCCCCCCCOc.... |
9 | 4RXD | ic50 = 300 nM | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
10 | 4RXC | ic50 ~ 33 uM | HRX | C8 H13 N O7 P2 | c1cc(cnc1).... |
11 | 3DYG | - | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
12 | 2P1C | Ki = 21 nM | GG3 | C14 H25 N O7 P2 | C[N@](CCCC.... |
13 | 4DXJ | ic50 = 38 nM | 0M9 | C5 H15 N O6 P2 | CCCNCC(P(=.... |
14 | 3ICN | - | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
15 | 3ICK | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
16 | 4DWB | ic50 = 1.84 uM | 0M7 | C7 H19 N O6 P2 | CCCCCNCC(P.... |
17 | 4DWG | ic50 = 58 nM | 0M8 | C9 H23 N O6 P2 | CCCCCCCNCC.... |
18 | 3ICM | - | P2H | C13 H16 N O7 P2 | c1ccc(cc1).... |
19 | 3ICZ | - | PB6 | C11 H18 N O6 P2 | CC/C=C/c1c.... |
20 | 1YHL | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
21 | 3IBA | - | SO4 | O4 S | [O-]S(=O)(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1ZW5 | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
2 | 1YV5 | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
3 | 4RXA | ic50 = 1.8 uM | 3F2 | C32 H28 N6 O2 | c1cc(cc(c1.... |
4 | 3N49 | ic50 = 7 uM | 3N4 | C14 H10 O2 S | c1ccc2c(c1.... |
5 | 5JV2 | ic50 = 100 uM | 6O3 | C14 H13 N2 O3 P S | Cc1ccc(cc1.... |
6 | 3N5J | ic50 = 8 uM | GO1 | C11 H7 Cl2 N O4 | c1c(cc(c2c.... |
7 | 2F9K | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
8 | 3N45 | - | PO4 | O4 P | [O-]P(=O)(.... |
9 | 4LPH | ic50 = 4.5 uM | YL3 | C14 H14 N3 O3 P S | Cc1ccc(cc1.... |
10 | 5JV1 | ic50 = 0.86 uM | YL6 | C21 H18 Cl F N3 O3 P S | Cc1ccc(cc1.... |
11 | 4LFV | - | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
12 | 4LPG | ic50 = 0.022 uM | 1MV | C14 H15 N3 O6 P2 S | Cc1ccc(cc1.... |
13 | 2F94 | - | BFQ | C9 H23 N O7 P2 | CCCCC[N@](.... |
14 | 3N6K | ic50 = 0.2 uM | BFH | C15 H11 N O4 | c1ccc2c(c1.... |
15 | 6OAH | ic50 = 1.5 uM | M2V | C21 H19 Cl N3 O3 P S | Cc1ccc(cc1.... |
16 | 5JV0 | ic50 = 1.1 uM | YL5 | C21 H19 F N3 O3 P S | Cc1ccc(cc1.... |
17 | 4H5E | Kd = 0.86 uM | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
18 | 3N5H | ic50 = 2 uM | GO0 | C11 H7 Cl2 N O4 | c1cc(c2c(c.... |
19 | 6OAG | ic50 = 3.7 uM | M2Y | C21 H19 Cl N3 O3 P S | Cc1ccc(cc1.... |
20 | 4H5D | Kd = 0.58 uM | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
21 | 2F8C | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
22 | 4P0W | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
23 | 3N46 | - | PO4 | O4 P | [O-]P(=O)(.... |
24 | 4P0X | - | 1WO | C20 H26 O3 | CC(C)C1=CC.... |
25 | 6N83 | ic50 = 0.54 uM | YL6 | C21 H18 Cl F N3 O3 P S | Cc1ccc(cc1.... |
26 | 4H5C | - | PO4 | O4 P | [O-]P(=O)(.... |
27 | 5DGN | ic50 = 1.2 uM | 59Y | C20 H13 N O2 | c1ccc2c(c1.... |
28 | 4DEM | ic50 = 28 nM | YS4 | C15 H20 N2 O7 P2 | CC(C)Oc1cc.... |
29 | 6N82 | ic50 = 1.1 uM | YF7 | C21 H18 Cl F N3 O3 P S | Cc1ccc(cc1.... |
30 | 3N1V | ic50 > 500 uM | 3N1 | C11 H9 Cl O2 S | Cc1c2cc(cc.... |
31 | 2OPM | - | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
32 | 5JA0 | Kd = 5.3 uM | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
33 | 1YQ7 | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
34 | 6B07 | - | C6M | C10 H18 N O6 P2 | CCC[N]1=C(.... |
35 | 6B04 | - | C6J | C8 H14 N O6 P2 | C[N]1=C(C=.... |
36 | 2Q58 | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
37 | 3LDW | Ki = 10.7 nM | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
38 | 3PH7 | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
39 | 5HN7 | ic50 = 120 uM | 04M | C26 H35 N O7 S | CCCCCCCCOc.... |
40 | 5HN9 | ic50 = 50 uM | 04W | C24 H31 N O6 | CCCCCCCCCC.... |
41 | 1UBY | - | DMA | C5 H12 O7 P2 | CC(=CCO[P@.... |
42 | 1UBX | - | FPP | C15 H28 O7 P2 | CC(=CCC/C(.... |
43 | 1UBW | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
44 | 4K10 | Kd = 119.5 nM | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
45 | 4RXE | ic50 = 230 nM | 3YQ | C7 H12 N2 O6 P2 | Cc1cccnc1N.... |
46 | 2EWG | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
47 | 5AFX | ic50 = 1.2 uM | PVZ | C14 H29 N2 O7 P2 | CCCCCCCCCn.... |
48 | 3DYH | - | 721 | C11 H20 N O7 P2 | CCCCOc1ccc.... |
49 | 2I19 | - | 1BY | C7 H12 N2 O6 P2 | c1ccnc(c1).... |
50 | 3EGT | Ki = 32 nM | 722 | C14 H26 N O7 P2 | CCCCCCCOc1.... |
51 | 3EFQ | - | 714 | C15 H28 N O7 P2 | CCCCCCCCOc.... |
52 | 4RXD | ic50 = 300 nM | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
53 | 4RXC | ic50 ~ 33 uM | HRX | C8 H13 N O7 P2 | c1cc(cnc1).... |
54 | 3DYG | - | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
55 | 2P1C | Ki = 21 nM | GG3 | C14 H25 N O7 P2 | C[N@](CCCC.... |
56 | 4DXJ | ic50 = 38 nM | 0M9 | C5 H15 N O6 P2 | CCCNCC(P(=.... |
57 | 3ICN | - | NI9 | C7 H11 F N O7 P2 | c1cc(c[n+].... |
58 | 3ICK | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
59 | 4DWB | ic50 = 1.84 uM | 0M7 | C7 H19 N O6 P2 | CCCCCNCC(P.... |
60 | 4DWG | ic50 = 58 nM | 0M8 | C9 H23 N O6 P2 | CCCCCCCNCC.... |
61 | 3ICM | - | P2H | C13 H16 N O7 P2 | c1ccc(cc1).... |
62 | 3ICZ | - | PB6 | C11 H18 N O6 P2 | CC/C=C/c1c.... |
63 | 1YHL | - | RIS | C7 H11 N O7 P2 | c1cc(cnc1).... |
64 | 3IBA | - | SO4 | O4 S | [O-]S(=O)(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DMA | 1 | 1 |
2 | H6P | 0.684211 | 0.815789 |
3 | 10E | 0.666667 | 0.72093 |
4 | 10G | 0.625 | 0.794872 |
5 | 10D | 0.625 | 0.815789 |
6 | GPP | 0.613636 | 0.868421 |
7 | 4LR | 0.588235 | 0.909091 |
8 | ZTP | 0.5625 | 0.825 |
9 | OTP | 0.5625 | 0.825 |
10 | FPP | 0.5625 | 0.846154 |
11 | VTP | 0.5625 | 0.825 |
12 | GRG | 0.5625 | 0.846154 |
13 | FFF | 0.5 | 0.785714 |
14 | 0CN | 0.463415 | 0.771429 |
15 | FDF | 0.454545 | 0.761905 |
16 | P23 | 0.447368 | 0.710526 |
17 | P22 | 0.444444 | 0.794118 |
18 | 0CJ | 0.431818 | 0.682927 |
19 | LA6 | 0.431373 | 0.804878 |
20 | 0FV | 0.431373 | 0.804878 |
21 | IPE | 0.428571 | 0.794872 |
This union binding pocket(no: 1) in the query (biounit: 4dxj.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4dxj.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3KRO | IPE | 31.8644 |
2 | 3KRO | DST | 31.8644 |
This union binding pocket(no: 4) in the query (biounit: 4dxj.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3KRO | IPE | 31.8644 |
2 | 3KRO | DST | 31.8644 |
This union binding pocket(no: 5) in the query (biounit: 4dxj.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4dxj.bio2) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 4dxj.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2O1O | RIS | 41.1602 |
This union binding pocket(no: 8) in the query (biounit: 4dxj.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |