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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 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 | VRT | 1 | 1 |
2 | NVA 2AD | 0.78481 | 0.985507 |
3 | 2VA | 0.7375 | 0.9 |
4 | SO8 | 0.731707 | 0.942029 |
5 | A3S | 0.574713 | 0.941176 |
6 | A3T | 0.544444 | 0.926471 |
7 | J4G | 0.53 | 0.797468 |
8 | D3Y | 0.510204 | 0.914286 |
9 | 3NZ | 0.5 | 0.902778 |
10 | A3G | 0.5 | 0.927536 |
11 | XYA | 0.493671 | 0.897059 |
12 | ADN | 0.493671 | 0.897059 |
13 | RAB | 0.493671 | 0.897059 |
14 | 0UM | 0.485149 | 0.90411 |
15 | SA8 | 0.484211 | 0.864865 |
16 | 7D7 | 0.481013 | 0.788732 |
17 | NVA LMS | 0.480392 | 0.75 |
18 | SAH | 0.479167 | 0.861111 |
19 | 5X8 | 0.478723 | 0.859155 |
20 | 7D5 | 0.476744 | 0.7125 |
21 | S7M | 0.474747 | 0.842105 |
22 | 3DH | 0.471264 | 0.84507 |
23 | 2AM | 0.471264 | 0.766234 |
24 | LSS | 0.470588 | 0.719101 |
25 | NEC | 0.466667 | 0.869565 |
26 | SFG | 0.463158 | 0.871429 |
27 | J7C | 0.461538 | 0.837838 |
28 | SSA | 0.46 | 0.735632 |
29 | SAM | 0.459184 | 0.842105 |
30 | NWW | 0.457831 | 0.808824 |
31 | 5CD | 0.457831 | 0.828571 |
32 | KAA | 0.457143 | 0.711111 |
33 | GSU | 0.457143 | 0.715909 |
34 | 6RE | 0.455556 | 0.826667 |
35 | EEM | 0.454545 | 0.842105 |
36 | DTA | 0.453488 | 0.783784 |
37 | A2P | 0.451613 | 0.730769 |
38 | 5CA | 0.45098 | 0.735632 |
39 | A5A | 0.45 | 0.701149 |
40 | 3AM | 0.449438 | 0.753247 |
41 | SAI | 0.44898 | 0.849315 |
42 | MTA | 0.448276 | 0.84507 |
43 | K15 | 0.447619 | 0.855263 |
44 | 5N5 | 0.445783 | 0.869565 |
45 | SMM | 0.445545 | 0.810127 |
46 | AMP | 0.444444 | 0.766234 |
47 | A | 0.444444 | 0.766234 |
48 | DSZ | 0.442308 | 0.715909 |
49 | AN2 | 0.442105 | 0.759494 |
50 | EP4 | 0.44186 | 0.821918 |
51 | 54H | 0.441176 | 0.685393 |
52 | VMS | 0.441176 | 0.685393 |
53 | 7D3 | 0.44086 | 0.716049 |
54 | GJV | 0.44086 | 0.815789 |
55 | A4D | 0.440476 | 0.869565 |
56 | 5AL | 0.44 | 0.782051 |
57 | OVE | 0.43956 | 0.7375 |
58 | ME8 | 0.439252 | 0.792683 |
59 | NWQ | 0.438202 | 0.811594 |
60 | AHX | 0.438095 | 0.8 |
61 | TSB | 0.436893 | 0.712644 |
62 | QA7 | 0.436893 | 0.775 |
63 | 53H | 0.436893 | 0.677778 |
64 | M2T | 0.436782 | 0.8 |
65 | XAH | 0.436364 | 0.771084 |
66 | A3P | 0.43617 | 0.74359 |
67 | 8QN | 0.432692 | 0.782051 |
68 | 5AD | 0.432099 | 0.794118 |
69 | 5AS | 0.431579 | 0.696629 |
70 | SRP | 0.431373 | 0.807692 |
71 | 45A | 0.430108 | 0.769231 |
72 | ABM | 0.430108 | 0.769231 |
73 | V3L | 0.43 | 0.746835 |
74 | PRX | 0.428571 | 0.818182 |
75 | 0XU | 0.428571 | 0.84507 |
76 | 52H | 0.427184 | 0.677778 |
77 | A7D | 0.427083 | 0.873239 |
78 | NB8 | 0.425926 | 0.777778 |
79 | SXZ | 0.425926 | 0.842105 |
80 | V2G | 0.425743 | 0.756098 |
81 | PPS | 0.425743 | 0.678161 |
82 | 62X | 0.424528 | 0.810127 |
83 | ATR | 0.424242 | 0.74359 |
84 | AMP MG | 0.423913 | 0.776316 |
85 | 3AD | 0.423529 | 0.882353 |
86 | 3L1 | 0.423529 | 0.871429 |
87 | 3D1 | 0.423529 | 0.871429 |
88 | YSA | 0.423423 | 0.696629 |
89 | ADX | 0.42268 | 0.697674 |
90 | CA0 | 0.42268 | 0.772152 |
91 | 7D4 | 0.42268 | 0.716049 |
92 | HY8 | 0.422414 | 0.866667 |
93 | KH3 | 0.421053 | 0.868421 |
94 | N5O | 0.419355 | 0.913043 |
95 | 9ZA | 0.419048 | 0.743902 |
96 | GEK | 0.419048 | 0.826667 |
97 | 9ZD | 0.419048 | 0.743902 |
98 | KG4 | 0.418367 | 0.772152 |
99 | 8LH | 0.417476 | 0.807692 |
100 | HZ2 | 0.417391 | 0.866667 |
101 | ADP | 0.416667 | 0.769231 |
102 | LAD | 0.416667 | 0.790123 |
103 | KL2 | 0.41573 | 0.717949 |
104 | YLB | 0.415254 | 0.817073 |
105 | AMO | 0.415094 | 0.807692 |
106 | NSS | 0.415094 | 0.715909 |
107 | A2D | 0.414894 | 0.769231 |
108 | 2A5 | 0.414141 | 0.772152 |
109 | YLP | 0.413793 | 0.795181 |
110 | LMS | 0.413043 | 0.678161 |
111 | ACK | 0.413043 | 0.736842 |
112 | QQY | 0.413043 | 0.7 |
113 | 1ZZ | 0.412844 | 0.771084 |
114 | SON | 0.412371 | 0.7625 |
115 | Y3J | 0.411765 | 0.746479 |
116 | 8LE | 0.411765 | 0.753086 |
117 | KYE | 0.410714 | 0.797468 |
118 | N5A | 0.410526 | 0.884058 |
119 | S4M | 0.410526 | 0.810127 |
120 | PAP | 0.41 | 0.75641 |
121 | 8LQ | 0.409524 | 0.807692 |
122 | DAL AMP | 0.409524 | 0.782051 |
123 | KB1 | 0.409091 | 0.805195 |
124 | MYR AMP | 0.409091 | 0.771084 |
125 | SRA | 0.408602 | 0.728395 |
126 | AU1 | 0.408163 | 0.75 |
127 | M33 | 0.408163 | 0.782051 |
128 | MHZ | 0.408163 | 0.8 |
129 | WSA | 0.40678 | 0.704545 |
130 | A12 | 0.40625 | 0.7625 |
131 | BA3 | 0.40625 | 0.769231 |
132 | AP2 | 0.40625 | 0.7625 |
133 | MAO | 0.40625 | 0.8 |
134 | G5A | 0.405941 | 0.715909 |
135 | DSH | 0.404255 | 0.837838 |
136 | HEJ | 0.40404 | 0.769231 |
137 | ATP | 0.40404 | 0.769231 |
138 | WAQ | 0.40367 | 0.765432 |
139 | YLC | 0.403361 | 0.792683 |
140 | QQX | 0.402174 | 0.691358 |
141 | B4P | 0.402062 | 0.769231 |
142 | AP5 | 0.402062 | 0.769231 |
143 | GAP | 0.401961 | 0.772152 |
144 | PAJ | 0.401869 | 0.790123 |
145 | 4AD | 0.401869 | 0.797468 |
146 | AYB | 0.401639 | 0.807229 |
147 | AQP | 0.4 | 0.769231 |
148 | APC | 0.4 | 0.7625 |
149 | A2R | 0.4 | 0.759494 |
150 | 7MD | 0.4 | 0.792683 |
151 | ARG AMP | 0.4 | 0.761905 |
152 | A3N | 0.4 | 0.833333 |
153 | TXA | 0.4 | 0.78481 |
154 | 5FA | 0.4 | 0.769231 |
155 | PTJ | 0.4 | 0.756098 |
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 |