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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 25 families. | |||||
1 | 3KO5 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 4NBI | - | D3Y | C19 H23 N7 O5 | c1cc(ccc1C.... |
3 | 3KO7 | - | DLY | C6 H14 N2 O2 | C(CCN)C[C@.... |
4 | 5J61 | - | A3G | C12 H17 N7 O4 | c1nc(c2c(n.... |
5 | 4NBJ | - | D3Y | C19 H23 N7 O5 | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 22 families. | |||||
1 | 3KO5 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
2 | 4NBI | - | D3Y | C19 H23 N7 O5 | c1cc(ccc1C.... |
3 | 3KO7 | - | DLY | C6 H14 N2 O2 | C(CCN)C[C@.... |
4 | 5J61 | - | A3G | C12 H17 N7 O4 | c1nc(c2c(n.... |
5 | 4NBJ | - | D3Y | C19 H23 N7 O5 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | D3Y | 1 | 1 |
2 | 3NZ | 0.827586 | 0.956522 |
3 | A3S | 0.743902 | 0.969697 |
4 | A3T | 0.666667 | 0.925373 |
5 | A3G | 0.623529 | 0.955224 |
6 | YSA | 0.607843 | 0.752941 |
7 | J4G | 0.574257 | 0.794872 |
8 | VRT | 0.510204 | 0.914286 |
9 | 5X8 | 0.494845 | 0.884058 |
10 | 2VA | 0.494845 | 0.898551 |
11 | SO8 | 0.48 | 0.885714 |
12 | RAB | 0.47619 | 0.924242 |
13 | ADN | 0.47619 | 0.924242 |
14 | XYA | 0.47619 | 0.924242 |
15 | 6RE | 0.473118 | 0.824324 |
16 | NVA 2AD | 0.47 | 0.901408 |
17 | 5N5 | 0.465116 | 0.895522 |
18 | SFG | 0.464646 | 0.869565 |
19 | A4D | 0.45977 | 0.895522 |
20 | NWW | 0.45977 | 0.833333 |
21 | 5CD | 0.45977 | 0.852941 |
22 | M2T | 0.455556 | 0.773333 |
23 | FA5 | 0.455357 | 0.828947 |
24 | GLU GMC | 0.45283 | 0.853333 |
25 | 3AM | 0.451613 | 0.773333 |
26 | J7C | 0.447917 | 0.835616 |
27 | SSA | 0.447619 | 0.752941 |
28 | S7M | 0.447619 | 0.792208 |
29 | 7D7 | 0.447059 | 0.811594 |
30 | A | 0.446809 | 0.786667 |
31 | AMP | 0.446809 | 0.786667 |
32 | SAM | 0.446602 | 0.792208 |
33 | LSS | 0.444444 | 0.696629 |
34 | 0UM | 0.444444 | 0.826667 |
35 | GJV | 0.443299 | 0.813333 |
36 | EEM | 0.442308 | 0.792208 |
37 | FYA | 0.441441 | 0.826667 |
38 | SA8 | 0.441176 | 0.813333 |
39 | AHX | 0.440367 | 0.820513 |
40 | DTA | 0.43956 | 0.830986 |
41 | 5CA | 0.439252 | 0.752941 |
42 | A3P | 0.438776 | 0.763158 |
43 | A5A | 0.438095 | 0.697674 |
44 | KB1 | 0.4375 | 0.826667 |
45 | NEC | 0.4375 | 0.84058 |
46 | N5O | 0.4375 | 0.911765 |
47 | SAI | 0.436893 | 0.847222 |
48 | SAH | 0.436893 | 0.859155 |
49 | 5AD | 0.435294 | 0.791045 |
50 | SRP | 0.433962 | 0.828947 |
51 | SMM | 0.433962 | 0.7625 |
52 | GSU | 0.432432 | 0.712644 |
53 | DSZ | 0.431193 | 0.732558 |
54 | 7D5 | 0.430108 | 0.730769 |
55 | SON | 0.43 | 0.782051 |
56 | 54H | 0.429907 | 0.681818 |
57 | VMS | 0.429907 | 0.681818 |
58 | N5A | 0.428571 | 0.882353 |
59 | NB8 | 0.428571 | 0.797468 |
60 | EP4 | 0.428571 | 0.794521 |
61 | 5AL | 0.428571 | 0.779221 |
62 | DLL | 0.427273 | 0.802632 |
63 | AMP MG | 0.427083 | 0.797297 |
64 | QA7 | 0.425926 | 0.75 |
65 | TSB | 0.425926 | 0.709302 |
66 | 53H | 0.425926 | 0.674157 |
67 | CA0 | 0.425743 | 0.792208 |
68 | 3DH | 0.425532 | 0.816901 |
69 | NWQ | 0.425532 | 0.808824 |
70 | KG4 | 0.421569 | 0.792208 |
71 | WSA | 0.421488 | 0.741176 |
72 | HZ2 | 0.420168 | 0.890411 |
73 | ADP | 0.42 | 0.789474 |
74 | R2V | 0.419643 | 0.759036 |
75 | KAA | 0.419643 | 0.707865 |
76 | MTA | 0.419355 | 0.816901 |
77 | ABM | 0.418367 | 0.766234 |
78 | A3N | 0.418367 | 0.857143 |
79 | 45A | 0.418367 | 0.766234 |
80 | A2D | 0.418367 | 0.813333 |
81 | AMO | 0.418182 | 0.828947 |
82 | ZAS | 0.416667 | 0.808219 |
83 | 52H | 0.416667 | 0.674157 |
84 | LMS | 0.416667 | 0.694118 |
85 | AN2 | 0.415842 | 0.779221 |
86 | Y3J | 0.41573 | 0.768116 |
87 | 7MD | 0.415254 | 0.790123 |
88 | V2G | 0.415094 | 0.775 |
89 | S4M | 0.414141 | 0.7625 |
90 | KYE | 0.413793 | 0.794872 |
91 | XAH | 0.413793 | 0.768293 |
92 | PAP | 0.413462 | 0.776316 |
93 | HY8 | 0.413223 | 0.890411 |
94 | 8LQ | 0.412844 | 0.782051 |
95 | OVE | 0.412371 | 0.75641 |
96 | SRA | 0.412371 | 0.746835 |
97 | MHZ | 0.411765 | 0.753086 |
98 | AU1 | 0.411765 | 0.769231 |
99 | 2AM | 0.410526 | 0.786667 |
100 | BA3 | 0.41 | 0.813333 |
101 | A12 | 0.41 | 0.782051 |
102 | AP2 | 0.41 | 0.782051 |
103 | G5A | 0.409524 | 0.732558 |
104 | 8QN | 0.409091 | 0.779221 |
105 | 9ZA | 0.409091 | 0.740741 |
106 | 9ZD | 0.409091 | 0.740741 |
107 | AOC | 0.408163 | 0.842857 |
108 | ACP | 0.407767 | 0.792208 |
109 | HEJ | 0.407767 | 0.789474 |
110 | ATP | 0.407767 | 0.789474 |
111 | V47 | 0.407407 | 0.855072 |
112 | 8LH | 0.407407 | 0.782051 |
113 | WAQ | 0.40708 | 0.7625 |
114 | LAD | 0.40708 | 0.7875 |
115 | QQX | 0.40625 | 0.708861 |
116 | 5AS | 0.405941 | 0.674157 |
117 | AP5 | 0.405941 | 0.813333 |
118 | B4P | 0.405941 | 0.813333 |
119 | ACQ | 0.40566 | 0.792208 |
120 | GAP | 0.40566 | 0.792208 |
121 | PAJ | 0.405405 | 0.765432 |
122 | NSS | 0.405405 | 0.732558 |
123 | KL2 | 0.404255 | 0.736842 |
124 | AQP | 0.403846 | 0.789474 |
125 | APC | 0.403846 | 0.782051 |
126 | 5FA | 0.403846 | 0.789474 |
127 | ME8 | 0.403509 | 0.746988 |
128 | QQY | 0.402062 | 0.717949 |
129 | ACK | 0.402062 | 0.756757 |
130 | AT4 | 0.401961 | 0.759494 |
131 | ADP BEF | 0.401961 | 0.786667 |
132 | ADP MG | 0.401961 | 0.786667 |
133 | PPS | 0.401869 | 0.694118 |
134 | 8LE | 0.401869 | 0.75 |
135 | 62X | 0.401786 | 0.7625 |
136 | NVA LMS | 0.401786 | 0.688889 |
137 | KXW | 0.4 | 0.863014 |
138 | DAL AMP | 0.4 | 0.779221 |
139 | A5D | 0.4 | 0.830986 |
140 | 7D3 | 0.4 | 0.734177 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4nbi.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4nbi.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |