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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4ASJ | Kd = 0.028 uM | N6A | C18 H18 N4 O4 S | CN(C1=C(N(.... |
2 | 1G1L | - | DAU | C16 H26 N2 O16 P2 | CC1=CN(C(=.... |
3 | 4B42 | - | 942 | C16 H20 N4 O3 | CCCCN1C(=C.... |
4 | 4B4G | ic50 = 0.175 uM | KKT | C16 H22 N4 O4 S | CCCCS(=O)(.... |
5 | 4B4B | - | GJB | C12 H12 N2 O3 | c1ccc(cc1).... |
6 | 4B4M | ic50 = 0.205 uM | JWT | C18 H17 F N4 O4 S | CN(C1=C(N(.... |
7 | 3ZLK | ic50 = 1.32 uM | Y46 | C17 H16 N4 O4 S | c1ccc(cc1).... |
8 | 4B2W | - | BZ0 | C18 H16 N4 O3 | c1ccc(cc1).... |
9 | 1G0R | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
10 | 4ARW | Kd = 0.074 uM | HNR | C15 H20 N4 O4 S | CCCCN1C(=C.... |
11 | 3ZLL | Kd = 0.395 uM | 4WF | C11 H11 N3 O3 | c1ccc(cc1).... |
12 | 4B5B | ic50 = 0.387 uM | BBE | C19 H20 N4 O4 S | Cc1cccc(c1.... |
13 | 4ASY | - | N5Y | C19 H18 N4 O3 | CN(C1=C(N(.... |
14 | 1FXO | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
15 | 4B3U | ic50 = 4.7 uM | NWL | C13 H16 N4 O2 | CCNC1=C(N(.... |
16 | 4B2X | - | NIQ | C13 H22 N4 O2 | CCCCN1C(=C.... |
17 | 1IIM | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
18 | 1IIN | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
19 | 1MP3 | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
20 | 1MP4 | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
21 | 3PKQ | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
22 | 6B5E | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
23 | 6B5K | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
24 | 1LVW | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 4ASJ | Kd = 0.028 uM | N6A | C18 H18 N4 O4 S | CN(C1=C(N(.... |
2 | 1G1L | - | DAU | C16 H26 N2 O16 P2 | CC1=CN(C(=.... |
3 | 4B42 | - | 942 | C16 H20 N4 O3 | CCCCN1C(=C.... |
4 | 4B4G | ic50 = 0.175 uM | KKT | C16 H22 N4 O4 S | CCCCS(=O)(.... |
5 | 4B4B | - | GJB | C12 H12 N2 O3 | c1ccc(cc1).... |
6 | 4B4M | ic50 = 0.205 uM | JWT | C18 H17 F N4 O4 S | CN(C1=C(N(.... |
7 | 3ZLK | ic50 = 1.32 uM | Y46 | C17 H16 N4 O4 S | c1ccc(cc1).... |
8 | 4B2W | - | BZ0 | C18 H16 N4 O3 | c1ccc(cc1).... |
9 | 1G0R | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
10 | 4ARW | Kd = 0.074 uM | HNR | C15 H20 N4 O4 S | CCCCN1C(=C.... |
11 | 3ZLL | Kd = 0.395 uM | 4WF | C11 H11 N3 O3 | c1ccc(cc1).... |
12 | 4B5B | ic50 = 0.387 uM | BBE | C19 H20 N4 O4 S | Cc1cccc(c1.... |
13 | 4ASY | - | N5Y | C19 H18 N4 O3 | CN(C1=C(N(.... |
14 | 1FXO | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
15 | 4B3U | ic50 = 4.7 uM | NWL | C13 H16 N4 O2 | CCNC1=C(N(.... |
16 | 4B2X | - | NIQ | C13 H22 N4 O2 | CCCCN1C(=C.... |
17 | 1IIM | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
18 | 1IIN | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
19 | 1MP3 | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
20 | 1MP4 | - | UPG | C15 H24 N2 O17 P2 | C1=CN(C(=O.... |
21 | 3PKQ | - | DGT | C10 H16 N5 O13 P3 | c1nc2c(n1[.... |
22 | 6B5E | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
23 | 6B5K | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
24 | 1LVW | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GDU | 1 | 1 |
2 | UPG | 1 | 1 |
3 | UFM | 1 | 1 |
4 | USQ | 0.8 | 0.846154 |
5 | UFG | 0.797619 | 0.943662 |
6 | U2F | 0.797619 | 0.943662 |
7 | UPF | 0.797619 | 0.943662 |
8 | AWU | 0.77381 | 0.970588 |
9 | UD2 | 0.73913 | 0.985294 |
10 | UD1 | 0.73913 | 0.985294 |
11 | UGA | 0.738636 | 0.985075 |
12 | UGB | 0.738636 | 0.985075 |
13 | UDP | 0.717949 | 0.941176 |
14 | UDX | 0.715909 | 0.970588 |
15 | UDP GAL | 0.715909 | 0.970588 |
16 | UAD | 0.715909 | 0.970588 |
17 | UTP | 0.7125 | 0.941176 |
18 | U5F | 0.703704 | 0.941176 |
19 | IUG | 0.693878 | 0.835443 |
20 | UGF | 0.692308 | 0.929577 |
21 | G3N | 0.692308 | 0.942857 |
22 | C5G | 0.688889 | 0.943662 |
23 | URM | 0.681818 | 0.956522 |
24 | 660 | 0.681818 | 0.956522 |
25 | UPU | 0.670588 | 0.970149 |
26 | EPZ | 0.650485 | 0.971014 |
27 | 3UC | 0.648936 | 0.943662 |
28 | UNP | 0.647059 | 0.914286 |
29 | EEB | 0.644231 | 0.957143 |
30 | EPU | 0.644231 | 0.957143 |
31 | U5P | 0.641026 | 0.926471 |
32 | U | 0.641026 | 0.926471 |
33 | HP7 | 0.636364 | 0.970588 |
34 | UD7 | 0.636364 | 0.956522 |
35 | 2GW | 0.632653 | 0.957143 |
36 | MJZ | 0.63 | 0.942857 |
37 | F5P | 0.623762 | 0.942857 |
38 | F5G | 0.623762 | 0.956522 |
39 | UD4 | 0.623762 | 0.942857 |
40 | UPP | 0.615385 | 0.942029 |
41 | UDZ | 0.615385 | 0.88 |
42 | UDH | 0.615385 | 0.866667 |
43 | UMA | 0.598214 | 0.971014 |
44 | 44P | 0.597561 | 0.901408 |
45 | UDM | 0.59596 | 0.942857 |
46 | 12V | 0.592233 | 0.929577 |
47 | HWU | 0.592233 | 0.929577 |
48 | 1GW | 0.590476 | 0.917808 |
49 | 2KH | 0.586207 | 0.914286 |
50 | Y6W | 0.585106 | 0.916667 |
51 | UDP UDP | 0.576471 | 0.911765 |
52 | U22 | 0.567797 | 0.8375 |
53 | U21 | 0.567797 | 0.858974 |
54 | U20 | 0.567797 | 0.858974 |
55 | URI | 0.552632 | 0.865672 |
56 | CJB | 0.551282 | 0.850746 |
57 | UP5 | 0.527273 | 0.855263 |
58 | UAG | 0.523438 | 0.917808 |
59 | 2QR | 0.520325 | 0.848101 |
60 | DAU | 0.519608 | 0.891892 |
61 | UA3 | 0.511905 | 0.911765 |
62 | U3P | 0.511905 | 0.911765 |
63 | CSV | 0.504762 | 0.878378 |
64 | CSQ | 0.504762 | 0.878378 |
65 | 4TC | 0.504425 | 0.833333 |
66 | 4RA | 0.492308 | 0.857143 |
67 | UD0 | 0.484848 | 0.846154 |
68 | PUP | 0.480392 | 0.887324 |
69 | UML | 0.478571 | 0.858974 |
70 | U2P | 0.476744 | 0.926471 |
71 | CXY | 0.471154 | 0.916667 |
72 | GKE | 0.463636 | 0.8 |
73 | GDD | 0.463636 | 0.8 |
74 | GDC | 0.463636 | 0.8 |
75 | FZK | 0.454545 | 0.780488 |
76 | CTP | 0.447917 | 0.888889 |
77 | HF4 | 0.447917 | 0.888889 |
78 | CDP | 0.446809 | 0.888889 |
79 | ADQ | 0.443396 | 0.828947 |
80 | BUP | 0.443299 | 0.876712 |
81 | DKX | 0.44186 | 0.774648 |
82 | U2S | 0.43956 | 0.77027 |
83 | UMF | 0.438202 | 0.833333 |
84 | LSU | 0.436893 | 0.72093 |
85 | U4S | 0.433333 | 0.733333 |
86 | DUT | 0.43299 | 0.861111 |
87 | U3S | 0.423913 | 0.756757 |
88 | YSU | 0.422018 | 0.75 |
89 | 5GW | 0.421569 | 0.915493 |
90 | DUD | 0.421053 | 0.861111 |
91 | 5FU | 0.417582 | 0.863014 |
92 | C2G | 0.417476 | 0.902778 |
93 | UPA | 0.416667 | 0.868421 |
94 | 0RC | 0.415842 | 0.866667 |
95 | U1S | 0.415842 | 0.776316 |
96 | 7XL | 0.415842 | 0.890411 |
97 | 2TU | 0.411765 | 0.777778 |
98 | UTP U U U | 0.409524 | 0.897059 |
99 | 139 | 0.406504 | 0.835443 |
100 | APU | 0.401639 | 0.831169 |
101 | PMP UD1 | 0.40146 | 0.835443 |
This union binding pocket(no: 1) in the query (biounit: 1iim.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1iim.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1iim.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1iim.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1iim.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 1iim.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 1iim.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |