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- Structure Biounit | Ligand Information
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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 1331 families. | |||||
1 | 4RLE | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
2 | 4WK1 | Kd = 109 nM | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
3 | 4D3H | Kd = 0.37 uM | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4RLE | - | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
2 | 4WK1 | Kd = 109 nM | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
3 | 4D3H | Kd = 0.37 uM | 2BA | C20 H24 N10 O12 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2BA | 1 | 1 |
2 | CMP | 1 | 0.984848 |
3 | RP1 | 0.757143 | 0.915493 |
4 | SP1 | 0.757143 | 0.915493 |
5 | 1YD | 0.727273 | 0.916667 |
6 | 4BW | 0.727273 | 0.916667 |
7 | 1SY | 0.653061 | 0.916667 |
8 | 1OR | 0.635294 | 0.797468 |
9 | 4UR | 0.626263 | 0.916667 |
10 | 7CH | 0.580247 | 0.969697 |
11 | 6SX | 0.573171 | 0.939394 |
12 | 6SZ | 0.559524 | 0.970149 |
13 | N6S | 0.535354 | 0.901408 |
14 | N6R | 0.535354 | 0.901408 |
15 | PCG | 0.534091 | 0.902778 |
16 | 35G | 0.534091 | 0.902778 |
17 | C2E | 0.534091 | 0.916667 |
18 | 1YC | 0.53 | 0.888889 |
19 | AF2 AF2 AF2 AF2 AF2 AF2 | 0.517647 | 0.859155 |
20 | Y3J | 0.506667 | 0.742857 |
21 | RAB | 0.5 | 0.814286 |
22 | 5CD | 0.5 | 0.8 |
23 | ADN | 0.5 | 0.814286 |
24 | ACK | 0.5 | 0.884058 |
25 | XYA | 0.5 | 0.814286 |
26 | 6SW | 0.494382 | 0.914286 |
27 | 5AD | 0.493151 | 0.764706 |
28 | 5N5 | 0.486842 | 0.788732 |
29 | 75G | 0.483146 | 0.878378 |
30 | A4D | 0.480519 | 0.788732 |
31 | NWW | 0.480519 | 0.753623 |
32 | M2T | 0.475 | 0.727273 |
33 | MTA | 0.469136 | 0.767123 |
34 | CC5 | 0.466667 | 0.838235 |
35 | EP4 | 0.4625 | 0.746667 |
36 | DTA | 0.45679 | 0.805556 |
37 | QQX | 0.452381 | 0.824324 |
38 | A | 0.447059 | 0.914286 |
39 | QQY | 0.447059 | 0.835616 |
40 | AMP | 0.447059 | 0.914286 |
41 | LMS | 0.447059 | 0.8 |
42 | AMP MG | 0.44186 | 0.9 |
43 | 3DH | 0.440476 | 0.767123 |
44 | NWQ | 0.440476 | 0.732394 |
45 | N5O | 0.436782 | 0.733333 |
46 | 3AM | 0.435294 | 0.9 |
47 | KT2 | 0.434783 | 0.916667 |
48 | 45A | 0.431818 | 0.888889 |
49 | A2D | 0.431818 | 0.942857 |
50 | J7C | 0.431818 | 0.74026 |
51 | ABM | 0.431818 | 0.888889 |
52 | ZAS | 0.430233 | 0.76 |
53 | 7D7 | 0.428571 | 0.760563 |
54 | S4M | 0.426966 | 0.658824 |
55 | SRA | 0.425287 | 0.864865 |
56 | 6RE | 0.425287 | 0.730769 |
57 | 3AD | 0.425 | 0.826087 |
58 | 2AM | 0.423529 | 0.887324 |
59 | A12 | 0.422222 | 0.878378 |
60 | AP2 | 0.422222 | 0.878378 |
61 | MAO | 0.422222 | 0.731707 |
62 | BA3 | 0.422222 | 0.942857 |
63 | DSH | 0.420455 | 0.717949 |
64 | A3G | 0.420455 | 0.77027 |
65 | NEC | 0.420455 | 0.716216 |
66 | AOC | 0.420455 | 0.791667 |
67 | OZV | 0.42 | 0.915493 |
68 | SFG | 0.419355 | 0.743243 |
69 | 6JR | 0.419048 | 0.942029 |
70 | ADP | 0.417582 | 0.915493 |
71 | AP5 | 0.417582 | 0.942857 |
72 | B4P | 0.417582 | 0.942857 |
73 | 5AS | 0.417582 | 0.752941 |
74 | KL2 | 0.416667 | 0.833333 |
75 | A3N | 0.41573 | 0.756757 |
76 | APC | 0.414894 | 0.878378 |
77 | AN2 | 0.413043 | 0.902778 |
78 | SON | 0.413043 | 0.878378 |
79 | AT4 | 0.413043 | 0.878378 |
80 | ADP MG | 0.413043 | 0.914286 |
81 | ADP BEF | 0.413043 | 0.914286 |
82 | EEM | 0.412371 | 0.682927 |
83 | LQJ | 0.411215 | 0.942857 |
84 | GJV | 0.411111 | 0.721519 |
85 | N5A | 0.411111 | 0.706667 |
86 | GGZ | 0.41 | 0.797468 |
87 | OVE | 0.409091 | 0.851351 |
88 | AU1 | 0.408602 | 0.890411 |
89 | CA0 | 0.408602 | 0.890411 |
90 | ADX | 0.408602 | 0.822785 |
91 | M33 | 0.408602 | 0.902778 |
92 | A3P | 0.406593 | 0.942029 |
93 | ACP | 0.404255 | 0.890411 |
94 | 5X8 | 0.404255 | 0.756757 |
95 | KG4 | 0.404255 | 0.890411 |
96 | ATP | 0.404255 | 0.915493 |
97 | 50T | 0.404255 | 0.876712 |
98 | HEJ | 0.404255 | 0.915493 |
99 | SAM | 0.402062 | 0.682927 |
100 | 0UM | 0.401961 | 0.691358 |
101 | NWZ | 0.4 | 0.717949 |
102 | AR6 | 0.4 | 0.915493 |
103 | AQP | 0.4 | 0.915493 |
104 | 5FA | 0.4 | 0.915493 |
105 | APR | 0.4 | 0.915493 |
106 | PRX | 0.4 | 0.864865 |
This union binding pocket(no: 1) in the query (biounit: 4wk1.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4wk1.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4wk1.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |