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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 35 families. | |||||
1 | 6PGU | ic50 = 20 uM | OK7 | C6 H7 N O S | CC(=O)Nc1c.... |
2 | 6PF1 | ic50 = 39 uM | OJ7 | C15 H10 Cl F3 N2 | Cc1c(c2ccc.... |
3 | 6V90 | ic50 = 0.0088 uM | QSD | C26 H24 N6 O | Cn1cc(cn1).... |
4 | 6V8N | - | QS1 | C27 H26 N6 O | C[C@H](CN[.... |
5 | 3BIY | - | 01K | C31 H53 N10 O19 P3 S | CC(=O)N[C@.... |
6 | 6V8K | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
7 | 4PZR | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
8 | 4PZS | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 25 families. | |||||
1 | 6PGU | ic50 = 20 uM | OK7 | C6 H7 N O S | CC(=O)Nc1c.... |
2 | 6PF1 | ic50 = 39 uM | OJ7 | C15 H10 Cl F3 N2 | Cc1c(c2ccc.... |
3 | 6V90 | ic50 = 0.0088 uM | QSD | C26 H24 N6 O | Cn1cc(cn1).... |
4 | 6V8N | - | QS1 | C27 H26 N6 O | C[C@H](CN[.... |
5 | 3BIY | - | 01K | C31 H53 N10 O19 P3 S | CC(=O)N[C@.... |
6 | 6V8K | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
7 | 4PZR | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
8 | 4PZS | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
9 | 5LKT | - | BCO | C25 H42 N7 O17 P3 S | CCCC(=O)SC.... |
10 | 5LKZ | - | COO | C25 H40 N7 O17 P3 S | CC=CC(=O)S.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 01K | 1 | 1 |
2 | SOP | 0.801418 | 1 |
3 | NHQ | 0.796053 | 0.988506 |
4 | 93M | 0.790123 | 0.966292 |
5 | CMC | 0.783217 | 0.977273 |
6 | A1S | 0.760274 | 0.977273 |
7 | COF | 0.756757 | 0.955556 |
8 | 2CP | 0.75 | 0.988636 |
9 | 3CP | 0.744966 | 0.977273 |
10 | ACO | 0.743056 | 0.966292 |
11 | COS | 0.741259 | 0.955056 |
12 | CAO | 0.741259 | 0.944444 |
13 | 01A | 0.738562 | 0.934783 |
14 | 4CO | 0.732026 | 0.966292 |
15 | 0FQ | 0.732026 | 0.977273 |
16 | UOQ | 0.729032 | 0.977528 |
17 | NHW | 0.729032 | 0.977528 |
18 | NHM | 0.729032 | 0.977528 |
19 | 0ET | 0.727273 | 0.977528 |
20 | MC4 | 0.726667 | 0.924731 |
21 | CIC | 0.72549 | 0.977273 |
22 | 3HC | 0.724832 | 0.965909 |
23 | 1VU | 0.722973 | 0.966292 |
24 | 3KK | 0.721088 | 0.977273 |
25 | FYN | 0.721088 | 0.977012 |
26 | COT | 0.720497 | 0.977273 |
27 | 0T1 | 0.72028 | 0.954545 |
28 | CAA | 0.72 | 0.965909 |
29 | 2MC | 0.718121 | 0.934783 |
30 | AMX | 0.717241 | 0.965517 |
31 | 4CA | 0.717105 | 0.966292 |
32 | OXK | 0.716216 | 0.955056 |
33 | CA6 | 0.716216 | 0.90625 |
34 | COK | 0.716216 | 0.955056 |
35 | HFQ | 0.713376 | 0.955556 |
36 | 1HE | 0.713333 | 0.955556 |
37 | BCO | 0.713333 | 0.955056 |
38 | MLC | 0.713333 | 0.955056 |
39 | IVC | 0.713333 | 0.965909 |
40 | CMX | 0.712329 | 0.954545 |
41 | CS8 | 0.711538 | 0.966667 |
42 | CO6 | 0.711409 | 0.977273 |
43 | COO | 0.708609 | 0.955056 |
44 | COA | 0.708333 | 0.977012 |
45 | TGC | 0.707792 | 0.966292 |
46 | FAM | 0.707483 | 0.933333 |
47 | CAJ | 0.706667 | 0.955056 |
48 | ETB | 0.706294 | 0.921348 |
49 | DCA | 0.706294 | 0.954545 |
50 | 30N | 0.705479 | 0.894737 |
51 | MCD | 0.704698 | 0.955056 |
52 | SCA | 0.703947 | 0.955056 |
53 | HAX | 0.702703 | 0.933333 |
54 | GRA | 0.701299 | 0.955056 |
55 | HXC | 0.701299 | 0.955556 |
56 | CA5 | 0.700599 | 0.934783 |
57 | NMX | 0.7 | 0.884211 |
58 | KFV | 0.699346 | 0.895833 |
59 | CA8 | 0.699346 | 0.867347 |
60 | 2KQ | 0.699346 | 0.955556 |
61 | HGG | 0.699346 | 0.955056 |
62 | MCA | 0.697368 | 0.966292 |
63 | HDC | 0.696203 | 0.955556 |
64 | FCX | 0.695946 | 0.923077 |
65 | SCD | 0.695364 | 0.954545 |
66 | FAQ | 0.694805 | 0.955056 |
67 | YXS | 0.69281 | 0.886598 |
68 | YXR | 0.69281 | 0.886598 |
69 | CO8 | 0.692308 | 0.955556 |
70 | SCO | 0.689189 | 0.954545 |
71 | IRC | 0.688312 | 0.965909 |
72 | COW | 0.688312 | 0.944444 |
73 | BYC | 0.688312 | 0.955056 |
74 | 1GZ | 0.688312 | 0.944444 |
75 | MFK | 0.687898 | 0.955556 |
76 | UCC | 0.687898 | 0.955556 |
77 | ST9 | 0.687898 | 0.955556 |
78 | MYA | 0.687898 | 0.955556 |
79 | DCC | 0.687898 | 0.955556 |
80 | 5F9 | 0.687898 | 0.955556 |
81 | 93P | 0.686391 | 0.966292 |
82 | BCA | 0.683871 | 0.944444 |
83 | 1CZ | 0.681529 | 0.944444 |
84 | 2NE | 0.681529 | 0.934066 |
85 | MRR | 0.68125 | 0.955556 |
86 | MRS | 0.68125 | 0.955556 |
87 | YZS | 0.671053 | 0.886598 |
88 | KGP | 0.671053 | 0.886598 |
89 | KGJ | 0.668831 | 0.894737 |
90 | 1CV | 0.66875 | 0.955056 |
91 | WCA | 0.66875 | 0.934066 |
92 | YNC | 0.666667 | 0.944444 |
93 | CA3 | 0.660714 | 0.977273 |
94 | ACE SER ASP ALY THR NH2 COA | 0.659218 | 0.955056 |
95 | J5H | 0.656442 | 0.955056 |
96 | KGA | 0.656051 | 0.885417 |
97 | 4KX | 0.654321 | 0.923913 |
98 | SO5 | 0.653846 | 0.877551 |
99 | YE1 | 0.653846 | 0.94382 |
100 | LCV | 0.653846 | 0.877551 |
101 | 8Z2 | 0.652439 | 0.945055 |
102 | DAK | 0.646341 | 0.945055 |
103 | CCQ | 0.639752 | 0.956044 |
104 | 1HA | 0.636905 | 0.934066 |
105 | S0N | 0.62963 | 0.933333 |
106 | UCA | 0.628571 | 0.955556 |
107 | F8G | 0.619883 | 0.914894 |
108 | RMW | 0.613636 | 0.934066 |
109 | 7L1 | 0.612903 | 0.966292 |
110 | CO7 | 0.592593 | 0.955056 |
111 | 4BN | 0.587302 | 0.914894 |
112 | 5TW | 0.587302 | 0.914894 |
113 | ASP ASP ASP ILE NH2 CMC | 0.58427 | 0.933333 |
114 | COD | 0.578947 | 0.965517 |
115 | N9V | 0.571429 | 0.902174 |
116 | OXT | 0.568421 | 0.914894 |
117 | BUA COA | 0.563636 | 0.922222 |
118 | 6NA COA | 0.556213 | 0.923077 |
119 | COA FLC | 0.553459 | 0.943182 |
120 | HMG | 0.552941 | 0.922222 |
121 | BSJ | 0.549738 | 0.945055 |
122 | JBT | 0.548223 | 0.895833 |
123 | MYR COA | 0.546512 | 0.923077 |
124 | DAO COA | 0.546512 | 0.923077 |
125 | X90 COA | 0.546512 | 0.923077 |
126 | DCR COA | 0.546512 | 0.923077 |
127 | PLM COA | 0.546512 | 0.923077 |
128 | EO3 COA | 0.546512 | 0.923077 |
129 | DKA COA | 0.546512 | 0.923077 |
130 | MET VAL ASN ALA CMC | 0.536458 | 0.933333 |
131 | ACE MET LEU GLY PRO NH2 COA | 0.502439 | 0.933333 |
132 | PAP | 0.475177 | 0.793103 |
133 | 5AD NJS | 0.447917 | 0.893617 |
134 | RFC | 0.44385 | 0.955556 |
135 | SFC | 0.44385 | 0.955556 |
136 | 0WD | 0.437126 | 0.771739 |
137 | PPS | 0.435374 | 0.736842 |
138 | A3P | 0.432624 | 0.781609 |
139 | YLB | 0.409639 | 0.88764 |
140 | YLP | 0.408537 | 0.88764 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 6v90.bio1) has 52 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |