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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 10 families. | |||||
1 | 5FOM | Kd = 9.8 uM | A2H | C20 H22 B Cl N6 O9 P | [B-]12(c3c.... |
2 | 5FOL | Kd = 215 uM | SO8 | C16 H25 N7 O4 | CC[C@H](C).... |
3 | 5FOG | Kd = 213 uM | VRT | C15 H23 N7 O4 | CCCC(C(=O).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 5FOM | Kd = 9.8 uM | A2H | C20 H22 B Cl N6 O9 P | [B-]12(c3c.... |
2 | 5FOL | Kd = 215 uM | SO8 | C16 H25 N7 O4 | CC[C@H](C).... |
3 | 5FOG | Kd = 213 uM | VRT | C15 H23 N7 O4 | CCCC(C(=O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SO8 | 1 | 1 |
2 | 2VA | 0.828947 | 0.955224 |
3 | VRT | 0.731707 | 0.942029 |
4 | NVA 2AD | 0.719512 | 0.928571 |
5 | A3T | 0.597701 | 0.954545 |
6 | A3S | 0.539326 | 0.911765 |
7 | A3G | 0.5 | 0.898551 |
8 | ADN | 0.493671 | 0.924242 |
9 | RAB | 0.493671 | 0.924242 |
10 | XYA | 0.493671 | 0.924242 |
11 | 7D7 | 0.481013 | 0.811594 |
12 | D3Y | 0.48 | 0.885714 |
13 | J7C | 0.477778 | 0.786667 |
14 | 7D5 | 0.476744 | 0.730769 |
15 | 3DH | 0.471264 | 0.869565 |
16 | 2AM | 0.471264 | 0.786667 |
17 | 3NZ | 0.471154 | 0.875 |
18 | VMS | 0.47 | 0.72093 |
19 | 54H | 0.47 | 0.72093 |
20 | NEC | 0.466667 | 0.895522 |
21 | TSB | 0.465347 | 0.729412 |
22 | A5A | 0.464646 | 0.717647 |
23 | 5X8 | 0.463158 | 0.830986 |
24 | S7M | 0.46 | 0.792208 |
25 | 5CD | 0.457831 | 0.852941 |
26 | NWW | 0.457831 | 0.833333 |
27 | J4G | 0.457143 | 0.75 |
28 | 7D3 | 0.456522 | 0.734177 |
29 | 6RE | 0.455556 | 0.776316 |
30 | 5AL | 0.454545 | 0.802632 |
31 | DTA | 0.453488 | 0.805556 |
32 | A2P | 0.451613 | 0.75 |
33 | QA7 | 0.45098 | 0.818182 |
34 | 53H | 0.45098 | 0.712644 |
35 | 3AM | 0.449438 | 0.773333 |
36 | MTA | 0.448276 | 0.869565 |
37 | 8QN | 0.446602 | 0.802632 |
38 | 5N5 | 0.445783 | 0.895522 |
39 | ABM | 0.445652 | 0.789474 |
40 | 45A | 0.445652 | 0.789474 |
41 | A | 0.444444 | 0.786667 |
42 | AMP | 0.444444 | 0.786667 |
43 | LSS | 0.442308 | 0.715909 |
44 | 0UM | 0.442308 | 0.851351 |
45 | AN2 | 0.442105 | 0.779221 |
46 | EP4 | 0.44186 | 0.871429 |
47 | A4D | 0.440476 | 0.895522 |
48 | OVE | 0.43956 | 0.75641 |
49 | SA8 | 0.438776 | 0.813333 |
50 | NWQ | 0.438202 | 0.835821 |
51 | NVA LMS | 0.438095 | 0.707865 |
52 | 7D4 | 0.4375 | 0.734177 |
53 | 8LQ | 0.436893 | 0.805195 |
54 | M2T | 0.436782 | 0.847222 |
55 | A3P | 0.43617 | 0.763158 |
56 | SAH | 0.434343 | 0.808219 |
57 | QQX | 0.433333 | 0.708861 |
58 | SFG | 0.43299 | 0.816901 |
59 | 9ZA | 0.432692 | 0.78481 |
60 | 9ZD | 0.432692 | 0.78481 |
61 | 5AD | 0.432099 | 0.818182 |
62 | KL2 | 0.431818 | 0.736842 |
63 | 5AS | 0.431579 | 0.712644 |
64 | 8LH | 0.431373 | 0.828947 |
65 | SSA | 0.431373 | 0.712644 |
66 | SAM | 0.43 | 0.792208 |
67 | ACK | 0.428571 | 0.756757 |
68 | QQY | 0.428571 | 0.717949 |
69 | 2A5 | 0.428571 | 0.746835 |
70 | 52H | 0.427184 | 0.712644 |
71 | PPS | 0.425743 | 0.694118 |
72 | V2G | 0.425743 | 0.753086 |
73 | EEM | 0.425743 | 0.792208 |
74 | GJV | 0.425532 | 0.766234 |
75 | AHX | 0.424528 | 0.775 |
76 | ATR | 0.424242 | 0.763158 |
77 | AMP MG | 0.423913 | 0.797297 |
78 | 3D1 | 0.423529 | 0.842857 |
79 | 3L1 | 0.423529 | 0.842857 |
80 | 3AD | 0.423529 | 0.880597 |
81 | DAL AMP | 0.423077 | 0.802632 |
82 | 5CA | 0.423077 | 0.712644 |
83 | ADX | 0.42268 | 0.714286 |
84 | CA0 | 0.42268 | 0.792208 |
85 | BA3 | 0.421053 | 0.789474 |
86 | K15 | 0.420561 | 0.805195 |
87 | SAI | 0.42 | 0.797297 |
88 | N5O | 0.419355 | 0.857143 |
89 | KG4 | 0.418367 | 0.792208 |
90 | SRP | 0.417476 | 0.782051 |
91 | SMM | 0.417476 | 0.78481 |
92 | GSU | 0.416667 | 0.674157 |
93 | B4P | 0.416667 | 0.789474 |
94 | ADP | 0.416667 | 0.789474 |
95 | AP5 | 0.416667 | 0.789474 |
96 | KAA | 0.416667 | 0.67033 |
97 | V3L | 0.415842 | 0.766234 |
98 | DSZ | 0.415094 | 0.693182 |
99 | NSS | 0.415094 | 0.693182 |
100 | A2D | 0.414894 | 0.789474 |
101 | AQP | 0.414141 | 0.789474 |
102 | PRX | 0.414141 | 0.815789 |
103 | 5FA | 0.414141 | 0.789474 |
104 | LMS | 0.413043 | 0.694118 |
105 | NB8 | 0.412844 | 0.753086 |
106 | ME8 | 0.412844 | 0.746988 |
107 | SXZ | 0.412844 | 0.815789 |
108 | TXA | 0.412844 | 0.805195 |
109 | SON | 0.412371 | 0.759494 |
110 | A7D | 0.412371 | 0.84507 |
111 | 8LE | 0.411765 | 0.794872 |
112 | Y3J | 0.411765 | 0.768116 |
113 | 62X | 0.411215 | 0.78481 |
114 | KYE | 0.410714 | 0.75 |
115 | N5A | 0.410526 | 0.828571 |
116 | S4M | 0.410526 | 0.7625 |
117 | HY8 | 0.410256 | 0.815789 |
118 | PAP | 0.41 | 0.776316 |
119 | KY2 | 0.409524 | 0.746835 |
120 | KB1 | 0.409091 | 0.75641 |
121 | SRA | 0.408602 | 0.746835 |
122 | AU1 | 0.408163 | 0.769231 |
123 | M33 | 0.408163 | 0.802632 |
124 | LEU LMS | 0.407407 | 0.724138 |
125 | AP2 | 0.40625 | 0.759494 |
126 | A12 | 0.40625 | 0.759494 |
127 | G5A | 0.405941 | 0.693182 |
128 | GEK | 0.40566 | 0.776316 |
129 | HZ2 | 0.405172 | 0.815789 |
130 | DSH | 0.404255 | 0.786667 |
131 | AOC | 0.404255 | 0.842857 |
132 | ATP | 0.40404 | 0.789474 |
133 | HEJ | 0.40404 | 0.789474 |
134 | V47 | 0.403846 | 0.828571 |
135 | GAP | 0.401961 | 0.792208 |
136 | PAJ | 0.401869 | 0.833333 |
137 | AMO | 0.401869 | 0.782051 |
138 | 4AD | 0.401869 | 0.772152 |
139 | 48N | 0.401709 | 0.775 |
140 | APC | 0.4 | 0.759494 |
141 | A2R | 0.4 | 0.779221 |
142 | A3N | 0.4 | 0.857143 |
143 | PTJ | 0.4 | 0.797468 |
144 | 1ZZ | 0.4 | 0.768293 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5fom.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5fom.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |