- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
-
|
- Download
- 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 22 families. | |||||
1 | 4KL9 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
2 | 4KNE | Kd = 1.26 uM | 1CY | C11 H14 Cl N5 | CC1(N=C(N=.... |
3 | 4KM2 | Kd = 0.82 uM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
4 | 4KLX | - | ATR | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
5 | 4KM0 | Kd = 0.91 uM | CP6 | C12 H13 Cl N4 | CCc1c(c(nc.... |
6 | 6NNE | Kd = 2.2 uM | KUP | C13 H16 N4 O2 | COc1ccc(cc.... |
7 | 6NNH | - | 1CY | C11 H14 Cl N5 | CC1(N=C(N=.... |
8 | 2CIG | Ki = 1 nM | 1DG | C27 H33 N8 O18 P3 | c1cnccc1C(.... |
9 | 1DG8 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
10 | 6NND | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
11 | 6NNI | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
12 | 1DG5 | Ki = 88 uM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
13 | 6NNC | - | LYA | C20 H21 N5 O6 | c1cc(ccc1C.... |
14 | 1DF7 | Ki = 11 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
15 | 5JA3 | ic50 = 173 nM | U06 | C23 H22 N4 O3 | CCc1c(c(nc.... |
16 | 1DG7 | Ki = 187 nM | WRB | C14 H20 Br N5 O2 | CC1(N=C(N=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 4KL9 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
2 | 4KNE | Kd = 1.26 uM | 1CY | C11 H14 Cl N5 | CC1(N=C(N=.... |
3 | 4KM2 | Kd = 0.82 uM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
4 | 4KLX | - | ATR | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
5 | 4KM0 | Kd = 0.91 uM | CP6 | C12 H13 Cl N4 | CCc1c(c(nc.... |
6 | 6NNE | Kd = 2.2 uM | KUP | C13 H16 N4 O2 | COc1ccc(cc.... |
7 | 6NNH | - | 1CY | C11 H14 Cl N5 | CC1(N=C(N=.... |
8 | 2CIG | Ki = 1 nM | 1DG | C27 H33 N8 O18 P3 | c1cnccc1C(.... |
9 | 1DG8 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
10 | 6NND | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
11 | 6NNI | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
12 | 1DG5 | Ki = 88 uM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
13 | 6NNC | - | LYA | C20 H21 N5 O6 | c1cc(ccc1C.... |
14 | 1DF7 | Ki = 11 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
15 | 5JA3 | ic50 = 173 nM | U06 | C23 H22 N4 O3 | CCc1c(c(nc.... |
16 | 1DG7 | Ki = 187 nM | WRB | C14 H20 Br N5 O2 | CC1(N=C(N=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1DG | 1 | 1 |
2 | DG1 | 1 | 1 |
3 | NDP | 0.68 | 1 |
4 | EAD | 0.664179 | 0.949367 |
5 | P1H | 0.656934 | 0.925926 |
6 | NPW | 0.615385 | 0.962025 |
7 | 0WD | 0.589552 | 1 |
8 | NZQ | 0.586466 | 0.987013 |
9 | A2R | 0.584746 | 0.909091 |
10 | A22 | 0.579832 | 0.934211 |
11 | TXP | 0.574627 | 0.924051 |
12 | ATR | 0.573913 | 0.894737 |
13 | NA7 | 0.560976 | 0.886076 |
14 | NMN AMP PO4 | 0.554745 | 0.948052 |
15 | 80F | 0.546763 | 0.914634 |
16 | NAI | 0.541353 | 0.986842 |
17 | NJP | 0.536232 | 0.923077 |
18 | A2P | 0.535088 | 0.881579 |
19 | XNP | 0.532374 | 0.949367 |
20 | ODP | 0.52518 | 0.936709 |
21 | 25L | 0.511628 | 0.934211 |
22 | NAP | 0.503401 | 0.922078 |
23 | NAJ PZO | 0.5 | 0.924051 |
24 | AP0 | 0.489209 | 0.948718 |
25 | 25A | 0.488189 | 0.921053 |
26 | NA0 | 0.486667 | 0.910256 |
27 | NAX | 0.485507 | 0.949367 |
28 | TAP | 0.48 | 0.864198 |
29 | NAJ PYZ | 0.47651 | 0.879518 |
30 | 2AM | 0.473684 | 0.87013 |
31 | 7L1 | 0.467105 | 0.763441 |
32 | 6V0 | 0.453901 | 0.974026 |
33 | A2D | 0.453782 | 0.921053 |
34 | PAP | 0.448 | 0.907895 |
35 | CO7 | 0.44375 | 0.791209 |
36 | TXD | 0.443662 | 0.911392 |
37 | ATP | 0.443548 | 0.921053 |
38 | HEJ | 0.443548 | 0.921053 |
39 | TXE | 0.440559 | 0.935897 |
40 | AQP | 0.44 | 0.921053 |
41 | 5FA | 0.44 | 0.921053 |
42 | HQG | 0.438462 | 0.909091 |
43 | AGS | 0.436508 | 0.875 |
44 | SAP | 0.436508 | 0.875 |
45 | BA3 | 0.434426 | 0.921053 |
46 | 9X8 | 0.432836 | 0.851852 |
47 | OAD | 0.432836 | 0.897436 |
48 | B4P | 0.430894 | 0.921053 |
49 | ADP | 0.430894 | 0.921053 |
50 | AP5 | 0.430894 | 0.921053 |
51 | AR6 | 0.428571 | 0.896104 |
52 | ADJ | 0.428571 | 0.879518 |
53 | APR | 0.428571 | 0.896104 |
54 | AN2 | 0.427419 | 0.909091 |
55 | PPS | 0.426357 | 0.811765 |
56 | 00A | 0.425373 | 0.864198 |
57 | 7D4 | 0.424 | 0.8375 |
58 | A3P | 0.422764 | 0.894737 |
59 | DQV | 0.422535 | 0.934211 |
60 | PO4 PO4 A A A A PO4 | 0.422222 | 0.857143 |
61 | ENP | 0.422222 | 0.85 |
62 | V3L | 0.418605 | 0.896104 |
63 | ANP | 0.418605 | 0.897436 |
64 | 4AD | 0.41791 | 0.875 |
65 | ADQ | 0.41791 | 0.897436 |
66 | 2A5 | 0.417323 | 0.85 |
67 | ZID | 0.416667 | 0.897436 |
68 | 3OD | 0.416058 | 0.897436 |
69 | AT4 | 0.416 | 0.886076 |
70 | 5AL | 0.415385 | 0.884615 |
71 | AD9 | 0.414062 | 0.897436 |
72 | UP5 | 0.413793 | 0.948052 |
73 | 8LQ | 0.413534 | 0.8625 |
74 | OVE | 0.413223 | 0.8375 |
75 | CA0 | 0.412698 | 0.897436 |
76 | M33 | 0.412698 | 0.884615 |
77 | N01 | 0.411765 | 0.884615 |
78 | OMR | 0.410959 | 0.813953 |
79 | OOB | 0.410448 | 0.909091 |
80 | NDO | 0.410256 | 0.897436 |
81 | KG4 | 0.409449 | 0.897436 |
82 | ACP | 0.409449 | 0.897436 |
83 | DCA | 0.409091 | 0.788889 |
84 | 3AM | 0.408333 | 0.857143 |
85 | ACQ | 0.407692 | 0.897436 |
86 | A1R | 0.407407 | 0.841463 |
87 | A3R | 0.407407 | 0.841463 |
88 | PRX | 0.40625 | 0.82716 |
89 | DND | 0.40411 | 0.910256 |
90 | NXX | 0.40411 | 0.910256 |
91 | 0T1 | 0.403846 | 0.788889 |
92 | 7D3 | 0.403226 | 0.8375 |
93 | ADX | 0.401575 | 0.811765 |
94 | ETB | 0.4 | 0.797753 |
95 | FAM | 0.4 | 0.771739 |
This union binding pocket(no: 1) in the query (biounit: 2cig.bio1) has 67 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3NRR | D16 | 21.3836 |
2 | 3NRR | NAP | 21.3836 |
3 | 3NRR | NAP | 21.3836 |
4 | 3NRR | D16 | 21.3836 |
5 | 5DXV | NAP | 37.1795 |
6 | 4EIL | FOL | 44.0252 |
7 | 4EIL | FOL | 44.0252 |
8 | 4EIL | NDP | 44.0252 |
9 | 4EIL | NDP | 44.0252 |
10 | 4EIL | NDP | 44.0252 |
11 | 4EIL | NDP | 44.0252 |
12 | 4EIL | FOL | 44.0252 |
13 | 4EIL | FOL | 44.0252 |