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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 2ON6 | Ki = 172 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 2A0Y | Ki = 900 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
3 | 1RR6 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 2A0X | Ki = 950 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
5 | 3GB9 | - | A2F | C5 H4 F N5 | c1[nH]c2c(.... |
6 | 1RT9 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
7 | 5UGF | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
8 | 3BGS | Ki = 380 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
9 | 1RSZ | - | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
10 | 2A0W | Ki = 270 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
11 | 1B8O | Ki = 23 pM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
12 | 1A9T | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
13 | 1VFN | Ki = 2.5 uM | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
14 | 2QPL | ic50 = 18.9 uM | BTY | C6 H7 N5 O | Cc1cc2n(n1.... |
15 | 2AI1 | ic50 = 300 nM | P1G | C12 H16 N5 O8 P | c1nc2c(n1[.... |
16 | 1B8N | Ki = 30 pM | IMG | C11 H15 N5 O4 | c1c(c2c([n.... |
17 | 1A9S | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
18 | 2AI3 | ic50 = 5000 nM | P2G | C11 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 1LVU | Kd = 4.8 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
20 | 1A9P | - | 9DI | C11 H13 N3 O5 | c1c(c2c([n.... |
21 | 2AI2 | ic50 = 30 nM | P1D | C13 H16 N3 O8 P | c1c(c2c([n.... |
22 | 1V48 | Ki = 16 nM | HA1 | C10 H14 F2 N5 O4 P | c1nc2c(n1C.... |
23 | 1A9Q | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 3FUC | Kd = 190 pM | 9D9 | C11 H15 F2 N4 O4 P | c1c(c2c([n.... |
25 | 1A9R | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 1LV8 | Kd = 3.5 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
27 | 1FXU | - | GU7 | C10 H16 N6 O3 | c1nc2c(n1C.... |
28 | 4EAR | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
29 | 5ETJ | Kd = 66 pM | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
30 | 4EB8 | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2ON6 | Ki = 172 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 2A0Y | Ki = 900 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
3 | 1RR6 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 2A0X | Ki = 950 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
5 | 3GB9 | - | A2F | C5 H4 F N5 | c1[nH]c2c(.... |
6 | 1RT9 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
7 | 5UGF | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
8 | 3BGS | Ki = 380 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
9 | 1RSZ | - | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
10 | 2A0W | Ki = 270 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
11 | 1B8O | Ki = 23 pM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
12 | 1A9T | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
13 | 1VFN | Ki = 2.5 uM | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
14 | 2QPL | ic50 = 18.9 uM | BTY | C6 H7 N5 O | Cc1cc2n(n1.... |
15 | 2AI1 | ic50 = 300 nM | P1G | C12 H16 N5 O8 P | c1nc2c(n1[.... |
16 | 1B8N | Ki = 30 pM | IMG | C11 H15 N5 O4 | c1c(c2c([n.... |
17 | 1A9S | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
18 | 2AI3 | ic50 = 5000 nM | P2G | C11 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 1LVU | Kd = 4.8 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
20 | 1A9P | - | 9DI | C11 H13 N3 O5 | c1c(c2c([n.... |
21 | 2AI2 | ic50 = 30 nM | P1D | C13 H16 N3 O8 P | c1c(c2c([n.... |
22 | 1V48 | Ki = 16 nM | HA1 | C10 H14 F2 N5 O4 P | c1nc2c(n1C.... |
23 | 1A9Q | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 3FUC | Kd = 190 pM | 9D9 | C11 H15 F2 N4 O4 P | c1c(c2c([n.... |
25 | 1A9R | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 1LV8 | Kd = 3.5 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
27 | 1FXU | - | GU7 | C10 H16 N6 O3 | c1nc2c(n1C.... |
28 | 5IFK | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
29 | 5TBT | - | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
30 | 5TBU | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
31 | 5TBS | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
32 | 4EAR | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
33 | 5ETJ | Kd = 66 pM | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
34 | 4EB8 | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
35 | 2P4S | Ki = 0.31 nM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
36 | 3FB1 | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
37 | 3E9R | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
38 | 3E0Q | - | JFD | C4 H4 Br N3 O2 | C1(=C(NC(=.... |
39 | 3FNQ | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
40 | 3FAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
41 | 3IEX | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
42 | 3DJF | ic50 = 0.8 uM | BC3 | C12 H11 N5 O | c1cc(cnc1).... |
43 | 3F8W | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
44 | 1VMK | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | P2G | 1 | 1 |
2 | P1G | 0.721519 | 0.986111 |
3 | SGP | 0.614458 | 0.907895 |
4 | 2GP | 0.590361 | 0.92 |
5 | GMP | 0.576923 | 0.815789 |
6 | 3GP | 0.571429 | 0.932432 |
7 | G | 0.55814 | 0.894737 |
8 | 5GP | 0.55814 | 0.894737 |
9 | GPX | 0.53125 | 0.932432 |
10 | GDP | 0.527473 | 0.883117 |
11 | GNH | 0.521739 | 0.871795 |
12 | GP3 | 0.516484 | 0.860759 |
13 | GPG | 0.515152 | 0.873418 |
14 | GP2 | 0.51087 | 0.85 |
15 | GTP | 0.510638 | 0.883117 |
16 | GAV | 0.505155 | 0.85 |
17 | G3D | 0.5 | 0.894737 |
18 | GNP | 0.5 | 0.860759 |
19 | G2P | 0.5 | 0.85 |
20 | 9GM | 0.5 | 0.860759 |
21 | GMV | 0.494737 | 0.860759 |
22 | DGP | 0.494382 | 0.871795 |
23 | DG | 0.494382 | 0.871795 |
24 | G4P | 0.489796 | 0.894737 |
25 | GCP | 0.489583 | 0.860759 |
26 | G1R | 0.489583 | 0.896104 |
27 | GSP | 0.484536 | 0.839506 |
28 | GH3 | 0.479592 | 0.883117 |
29 | ALF 5GP | 0.479167 | 0.807229 |
30 | DGI | 0.478723 | 0.860759 |
31 | GDP BEF | 0.474227 | 0.848101 |
32 | 0O2 | 0.470588 | 0.894737 |
33 | GTP MG | 0.469388 | 0.87013 |
34 | GKE | 0.466667 | 0.897436 |
35 | GDC | 0.466667 | 0.897436 |
36 | GDD | 0.466667 | 0.897436 |
37 | G2R | 0.460784 | 0.85 |
38 | U2G | 0.460177 | 0.851852 |
39 | DGT | 0.459184 | 0.860759 |
40 | GDP AF3 | 0.45098 | 0.807229 |
41 | GDP ALF | 0.45098 | 0.807229 |
42 | G3A | 0.444444 | 0.860759 |
43 | YGP | 0.443396 | 0.819277 |
44 | KB7 | 0.443299 | 0.790123 |
45 | G5P | 0.440367 | 0.860759 |
46 | Y9Z | 0.439252 | 0.821429 |
47 | PCG | 0.4375 | 0.893333 |
48 | 35G | 0.4375 | 0.893333 |
49 | C2E | 0.4375 | 0.881579 |
50 | GKD | 0.436364 | 0.897436 |
51 | GDR | 0.435185 | 0.873418 |
52 | GTG | 0.435185 | 0.829268 |
53 | GFB | 0.435185 | 0.873418 |
54 | 5GP 5GP | 0.43299 | 0.868421 |
55 | 6CK | 0.431193 | 0.851852 |
56 | CG2 | 0.42735 | 0.851852 |
57 | UCG | 0.424 | 0.873418 |
58 | JB2 | 0.423423 | 0.873418 |
59 | GDX | 0.419643 | 0.884615 |
60 | GPD | 0.419643 | 0.841463 |
61 | KBD | 0.415094 | 0.790123 |
62 | GDP 7MG | 0.414414 | 0.82716 |
63 | GPC | 0.413223 | 0.821429 |
64 | 2MD | 0.411765 | 0.790698 |
65 | BGO | 0.410256 | 0.8625 |
66 | ZGP | 0.40678 | 0.790698 |
67 | G1G | 0.406504 | 0.819277 |
68 | 1YC | 0.405405 | 0.905405 |
69 | 3ZE | 0.402062 | 0.822785 |
70 | JB3 | 0.401709 | 0.8625 |
71 | MGD | 0.401639 | 0.790698 |
72 | KBJ | 0.4 | 0.761905 |
73 | MD1 | 0.4 | 0.790698 |
74 | GGM | 0.4 | 0.841463 |
75 | G C | 0.4 | 0.839506 |
This union binding pocket(no: 1) in the query (biounit: 1b8o.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1b8o.bio2) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1b8o.bio2) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1b8o.bio2) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |