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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 271 families. | |||||
1 | 5AB6 | Kd = 0.9 mM | CAA | C25 H40 N7 O18 P3 S | CC(=O)CC(=.... |
2 | 5AB7 | Kd = 90 uM | MLC | C24 H38 N7 O19 P3 S | CC(C)(CO[P.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 5AB6 | Kd = 0.9 mM | CAA | C25 H40 N7 O18 P3 S | CC(=O)CC(=.... |
2 | 5AB7 | Kd = 90 uM | MLC | C24 H38 N7 O19 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CAA | 1 | 1 |
2 | MLC | 0.912 | 0.988506 |
3 | 1VU | 0.880952 | 0.977273 |
4 | ACO | 0.879032 | 0.977273 |
5 | 1HE | 0.867188 | 0.966292 |
6 | 3HC | 0.867188 | 1 |
7 | BCO | 0.867188 | 0.988506 |
8 | IVC | 0.867188 | 1 |
9 | SCA | 0.853846 | 0.988506 |
10 | 3KK | 0.850394 | 0.988506 |
11 | COS | 0.848 | 0.965909 |
12 | CAO | 0.848 | 0.955056 |
13 | HGG | 0.847328 | 0.988506 |
14 | 2MC | 0.844961 | 0.945055 |
15 | OXK | 0.84375 | 0.988506 |
16 | SOP | 0.84375 | 0.965909 |
17 | FAQ | 0.840909 | 0.988506 |
18 | CO6 | 0.837209 | 0.988506 |
19 | GRA | 0.834586 | 0.988506 |
20 | HXC | 0.834586 | 0.966292 |
21 | TGC | 0.828358 | 0.977273 |
22 | MC4 | 0.825758 | 0.934783 |
23 | CO8 | 0.822222 | 0.966292 |
24 | FYN | 0.821705 | 0.988372 |
25 | KFV | 0.819549 | 0.905263 |
26 | MCA | 0.818182 | 0.977273 |
27 | COO | 0.818182 | 0.988506 |
28 | DCC | 0.816176 | 0.966292 |
29 | MFK | 0.816176 | 0.966292 |
30 | UCC | 0.816176 | 0.966292 |
31 | ST9 | 0.816176 | 0.966292 |
32 | MYA | 0.816176 | 0.966292 |
33 | 5F9 | 0.816176 | 0.966292 |
34 | COK | 0.815385 | 0.965909 |
35 | YXS | 0.81203 | 0.895833 |
36 | YXR | 0.81203 | 0.895833 |
37 | 0T1 | 0.809524 | 0.965517 |
38 | COA | 0.809524 | 0.988372 |
39 | CMC | 0.80916 | 0.965909 |
40 | DCA | 0.808 | 0.943182 |
41 | BYC | 0.80597 | 0.988506 |
42 | 1GZ | 0.80597 | 0.977273 |
43 | COW | 0.80597 | 0.977273 |
44 | IRC | 0.80597 | 1 |
45 | 30N | 0.804688 | 0.904255 |
46 | CS8 | 0.804348 | 0.955556 |
47 | BCA | 0.8 | 0.977273 |
48 | HDC | 0.798561 | 0.966292 |
49 | A1S | 0.796992 | 0.965909 |
50 | ETB | 0.793651 | 0.910112 |
51 | COF | 0.792593 | 0.944444 |
52 | AMX | 0.790698 | 0.976744 |
53 | YNC | 0.787234 | 0.977273 |
54 | 2CP | 0.785185 | 0.955056 |
55 | CMX | 0.784615 | 0.965517 |
56 | SCO | 0.784615 | 0.965517 |
57 | 1CZ | 0.782609 | 0.977273 |
58 | 2NE | 0.782609 | 0.966292 |
59 | 2KQ | 0.779412 | 0.966292 |
60 | 3CP | 0.779412 | 0.965909 |
61 | FCX | 0.778626 | 0.933333 |
62 | FAM | 0.778626 | 0.94382 |
63 | 4CA | 0.773723 | 0.955056 |
64 | HAX | 0.772727 | 0.94382 |
65 | WCA | 0.765957 | 0.966292 |
66 | CAJ | 0.762963 | 0.94382 |
67 | SCD | 0.762963 | 0.965517 |
68 | CA6 | 0.761194 | 0.876289 |
69 | MCD | 0.761194 | 0.94382 |
70 | KGP | 0.761194 | 0.895833 |
71 | YZS | 0.761194 | 0.895833 |
72 | 4KX | 0.760563 | 0.955556 |
73 | KGJ | 0.757353 | 0.884211 |
74 | CIC | 0.757143 | 0.965909 |
75 | CCQ | 0.757143 | 0.945055 |
76 | NMX | 0.755556 | 0.893617 |
77 | MRS | 0.755245 | 0.966292 |
78 | MRR | 0.755245 | 0.966292 |
79 | 1CV | 0.753521 | 0.988506 |
80 | 0FQ | 0.751773 | 0.965909 |
81 | 4CO | 0.751773 | 0.955056 |
82 | J5H | 0.75 | 0.988506 |
83 | DAK | 0.75 | 0.955556 |
84 | 0ET | 0.746479 | 0.944444 |
85 | 01A | 0.746479 | 0.923913 |
86 | 8Z2 | 0.744828 | 0.955556 |
87 | KGA | 0.741007 | 0.875 |
88 | CA8 | 0.741007 | 0.895833 |
89 | YE1 | 0.73913 | 0.954545 |
90 | LCV | 0.73913 | 0.886598 |
91 | SO5 | 0.73913 | 0.886598 |
92 | NHM | 0.736111 | 0.944444 |
93 | UOQ | 0.736111 | 0.944444 |
94 | NHW | 0.736111 | 0.944444 |
95 | HFQ | 0.731034 | 0.944444 |
96 | 1HA | 0.724832 | 0.966292 |
97 | NHQ | 0.722973 | 0.977012 |
98 | UCA | 0.722581 | 0.966292 |
99 | S0N | 0.72028 | 0.94382 |
100 | 01K | 0.72 | 0.965909 |
101 | 7L1 | 0.718518 | 0.977273 |
102 | F8G | 0.715232 | 0.924731 |
103 | COT | 0.715232 | 0.965909 |
104 | CA3 | 0.694805 | 0.965909 |
105 | CA5 | 0.683544 | 0.923913 |
106 | CO7 | 0.678322 | 0.988506 |
107 | RMW | 0.672956 | 0.966292 |
108 | BUA COA | 0.666667 | 0.954545 |
109 | 93P | 0.658385 | 0.955056 |
110 | COD | 0.656716 | 0.976744 |
111 | 93M | 0.648485 | 0.955056 |
112 | 6NA COA | 0.644295 | 0.933333 |
113 | N9V | 0.64 | 0.933333 |
114 | HMG | 0.64 | 0.954545 |
115 | DKA COA | 0.631579 | 0.933333 |
116 | DCR COA | 0.631579 | 0.933333 |
117 | MYR COA | 0.631579 | 0.933333 |
118 | DAO COA | 0.631579 | 0.933333 |
119 | PLM COA | 0.631579 | 0.933333 |
120 | EO3 COA | 0.631579 | 0.933333 |
121 | X90 COA | 0.631579 | 0.933333 |
122 | 5TW | 0.62069 | 0.924731 |
123 | 4BN | 0.62069 | 0.924731 |
124 | OXT | 0.618497 | 0.924731 |
125 | COA FLC | 0.612676 | 0.954023 |
126 | JBT | 0.594444 | 0.905263 |
127 | BSJ | 0.570621 | 0.934066 |
128 | ASP ASP ASP ILE NH2 CMC | 0.552941 | 0.922222 |
129 | PAP | 0.544715 | 0.802326 |
130 | MET VAL ASN ALA CMC | 0.513661 | 0.922222 |
131 | SFC | 0.508982 | 0.966292 |
132 | RFC | 0.508982 | 0.966292 |
133 | ACE SER ASP ALY THR NH2 COA | 0.508108 | 0.922222 |
134 | PPS | 0.507812 | 0.744681 |
135 | A3P | 0.495935 | 0.790698 |
136 | 0WD | 0.489933 | 0.78022 |
137 | ACE MET LEU GLY PRO NH2 COA | 0.479592 | 0.922222 |
138 | 5AD NJS | 0.468927 | 0.923913 |
139 | PTJ | 0.439716 | 0.862069 |
140 | 3AM | 0.435484 | 0.77907 |
141 | 3OD | 0.429577 | 0.816092 |
142 | PUA | 0.427673 | 0.811111 |
143 | A22 | 0.427536 | 0.804598 |
144 | A2D | 0.421875 | 0.793103 |
145 | PAJ | 0.421429 | 0.873563 |
146 | HQG | 0.42029 | 0.804598 |
147 | ATR | 0.41791 | 0.790698 |
148 | AGS | 0.41791 | 0.818182 |
149 | UBG | 0.417143 | 0.835165 |
150 | 9BG | 0.416667 | 0.78022 |
151 | OAD | 0.415493 | 0.816092 |
152 | ADP | 0.412214 | 0.813953 |
153 | A2R | 0.410072 | 0.804598 |
154 | 8LE | 0.408759 | 0.83908 |
155 | 8LQ | 0.407143 | 0.827586 |
156 | NA7 | 0.405594 | 0.848837 |
157 | 9X8 | 0.405594 | 0.818182 |
158 | BA3 | 0.40458 | 0.793103 |
159 | ATP | 0.402985 | 0.813953 |
160 | HEJ | 0.402985 | 0.813953 |
161 | AP5 | 0.401515 | 0.793103 |
162 | B4P | 0.401515 | 0.793103 |
163 | ADQ | 0.401408 | 0.795455 |
164 | 48N | 0.401316 | 0.8 |
165 | AQP | 0.4 | 0.813953 |
166 | ME8 | 0.4 | 0.833333 |
167 | AR6 | 0.4 | 0.793103 |
168 | 2A5 | 0.4 | 0.837209 |
169 | APR | 0.4 | 0.793103 |
170 | 5FA | 0.4 | 0.813953 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5ab7.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ab7.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5ab7.bio3) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5ab7.bio3) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 5ab7.bio2) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 5ab7.bio2) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |