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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 6 families. | |||||
1 | 4K4C | Ki = 65 uM | 0FQ | C29 H42 N7 O17 P3 S | CC(C)(CO[P.... |
2 | 4K4D | Ki = 5.9 uM | HFQ | C29 H42 N7 O19 P3 S | CC(C)(CO[P.... |
3 | 4K4B | Ki = 12.2 uM | UOQ | C32 H56 N7 O17 P3 S | CCCCCCCCCC.... |
4 | 4K49 | Ki = 2.5 uM | HFQ | C29 H42 N7 O19 P3 S | CC(C)(CO[P.... |
5 | 4K4A | Ki = 7.8 uM | 0FQ | C29 H42 N7 O17 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 6 families. | |||||
1 | 4K4C | Ki = 65 uM | 0FQ | C29 H42 N7 O17 P3 S | CC(C)(CO[P.... |
2 | 4K4D | Ki = 5.9 uM | HFQ | C29 H42 N7 O19 P3 S | CC(C)(CO[P.... |
3 | 4K4B | Ki = 12.2 uM | UOQ | C32 H56 N7 O17 P3 S | CCCCCCCCCC.... |
4 | 4K49 | Ki = 2.5 uM | HFQ | C29 H42 N7 O19 P3 S | CC(C)(CO[P.... |
5 | 4K4A | Ki = 7.8 uM | 0FQ | C29 H42 N7 O17 P3 S | CC(C)(CO[P.... |
6 | 4M20 | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HFQ | 1 | 1 |
2 | SOP | 0.843284 | 0.955556 |
3 | 4CO | 0.829787 | 0.988764 |
4 | CMC | 0.823529 | 0.955556 |
5 | 01A | 0.811189 | 0.935484 |
6 | 0FQ | 0.804196 | 0.977528 |
7 | COF | 0.794326 | 0.934783 |
8 | CAO | 0.792593 | 0.923913 |
9 | COS | 0.792593 | 0.934066 |
10 | ACO | 0.781022 | 0.923913 |
11 | 4CA | 0.776224 | 0.988764 |
12 | UOQ | 0.77551 | 0.934783 |
13 | NHM | 0.77551 | 0.934783 |
14 | NHW | 0.77551 | 0.934783 |
15 | A1S | 0.77305 | 0.955556 |
16 | 2CP | 0.762238 | 0.945055 |
17 | CO6 | 0.758865 | 0.934066 |
18 | 0T1 | 0.757353 | 0.933333 |
19 | FYN | 0.757143 | 0.955056 |
20 | 3KK | 0.757143 | 0.934066 |
21 | 3CP | 0.756944 | 0.955556 |
22 | OXK | 0.751773 | 0.934066 |
23 | COK | 0.751773 | 0.934066 |
24 | BCA | 0.751724 | 0.966667 |
25 | MC4 | 0.75 | 0.885417 |
26 | 2NE | 0.748299 | 0.977778 |
27 | CIC | 0.748299 | 0.955556 |
28 | BCO | 0.748252 | 0.934066 |
29 | 1VU | 0.746479 | 0.923913 |
30 | COA | 0.744526 | 0.955056 |
31 | DCA | 0.742647 | 0.912088 |
32 | 2MC | 0.741259 | 0.894737 |
33 | 30N | 0.741007 | 0.876289 |
34 | 0ET | 0.738255 | 0.934783 |
35 | IVC | 0.736111 | 0.944444 |
36 | 3HC | 0.736111 | 0.944444 |
37 | 1HE | 0.736111 | 0.934783 |
38 | MLC | 0.736111 | 0.934066 |
39 | CS8 | 0.733333 | 0.924731 |
40 | IRC | 0.732877 | 0.944444 |
41 | COW | 0.732877 | 0.966667 |
42 | MCA | 0.731034 | 0.923913 |
43 | COO | 0.731034 | 0.934066 |
44 | CAA | 0.731034 | 0.944444 |
45 | ETB | 0.729927 | 0.880435 |
46 | TGC | 0.72973 | 0.945055 |
47 | AMX | 0.728571 | 0.94382 |
48 | NHQ | 0.727273 | 0.966292 |
49 | YXS | 0.726027 | 0.85 |
50 | YXR | 0.726027 | 0.85 |
51 | SCA | 0.726027 | 0.934066 |
52 | CMX | 0.723404 | 0.933333 |
53 | SCO | 0.723404 | 0.933333 |
54 | HXC | 0.722973 | 0.913979 |
55 | 1GZ | 0.721088 | 0.923913 |
56 | HGG | 0.721088 | 0.934066 |
57 | 2KQ | 0.721088 | 0.913979 |
58 | KFV | 0.721088 | 0.858586 |
59 | BYC | 0.721088 | 0.955556 |
60 | FCX | 0.71831 | 0.903226 |
61 | FAM | 0.71831 | 0.913043 |
62 | FAQ | 0.716216 | 0.955556 |
63 | MCD | 0.715278 | 0.913043 |
64 | 01K | 0.713376 | 0.955556 |
65 | CO8 | 0.713333 | 0.913979 |
66 | HAX | 0.713287 | 0.913043 |
67 | GRA | 0.711409 | 0.934066 |
68 | WCA | 0.710526 | 0.956044 |
69 | COT | 0.708861 | 0.977528 |
70 | MYA | 0.708609 | 0.913979 |
71 | MFK | 0.708609 | 0.913979 |
72 | UCC | 0.708609 | 0.913979 |
73 | 5F9 | 0.708609 | 0.913979 |
74 | ST9 | 0.708609 | 0.913979 |
75 | DCC | 0.708609 | 0.913979 |
76 | YE1 | 0.707483 | 0.966292 |
77 | HDC | 0.705882 | 0.913979 |
78 | SCD | 0.705479 | 0.933333 |
79 | YZS | 0.703448 | 0.85 |
80 | CA6 | 0.703448 | 0.868687 |
81 | KGP | 0.703448 | 0.85 |
82 | 1CZ | 0.701987 | 0.923913 |
83 | S0N | 0.701987 | 0.955556 |
84 | NMX | 0.69863 | 0.865979 |
85 | 4KX | 0.694805 | 0.924731 |
86 | CAJ | 0.693878 | 0.913043 |
87 | MRS | 0.690323 | 0.913979 |
88 | MRR | 0.690323 | 0.913979 |
89 | KGJ | 0.689189 | 0.857143 |
90 | 1CV | 0.688312 | 0.934066 |
91 | J5H | 0.685897 | 0.955556 |
92 | 1HA | 0.685535 | 0.977778 |
93 | SO5 | 0.684564 | 0.841584 |
94 | LCV | 0.684564 | 0.841584 |
95 | 8Z2 | 0.681529 | 0.904255 |
96 | CA5 | 0.678788 | 0.935484 |
97 | KGA | 0.675497 | 0.848485 |
98 | CA8 | 0.675497 | 0.868687 |
99 | DAK | 0.675159 | 0.945652 |
100 | YNC | 0.675159 | 0.923913 |
101 | CA3 | 0.668712 | 0.977528 |
102 | F8G | 0.666667 | 0.895833 |
103 | 93M | 0.654971 | 0.966667 |
104 | 7L1 | 0.653061 | 0.923913 |
105 | 93P | 0.64497 | 0.966667 |
106 | RMW | 0.639053 | 0.934783 |
107 | CCQ | 0.636943 | 0.914894 |
108 | CO7 | 0.619355 | 0.934066 |
109 | UCA | 0.616279 | 0.934783 |
110 | COD | 0.606897 | 0.94382 |
111 | 5TW | 0.592391 | 0.895833 |
112 | 4BN | 0.592391 | 0.895833 |
113 | N9V | 0.58642 | 0.882979 |
114 | OXT | 0.581522 | 0.915789 |
115 | BUA COA | 0.56875 | 0.902174 |
116 | COA FLC | 0.558442 | 0.922222 |
117 | ASP ASP ASP ILE NH2 CMC | 0.553672 | 0.913043 |
118 | JBT | 0.552083 | 0.896907 |
119 | 6NA COA | 0.551515 | 0.882979 |
120 | BSJ | 0.545455 | 0.945652 |
121 | DKA COA | 0.541667 | 0.882979 |
122 | EO3 COA | 0.541667 | 0.882979 |
123 | X90 COA | 0.541667 | 0.882979 |
124 | PLM COA | 0.541667 | 0.882979 |
125 | DAO COA | 0.541667 | 0.882979 |
126 | MYR COA | 0.541667 | 0.882979 |
127 | DCR COA | 0.541667 | 0.882979 |
128 | HMG | 0.538922 | 0.902174 |
129 | ACE SER ASP ALY THR NH2 COA | 0.502591 | 0.913043 |
130 | MET VAL ASN ALA CMC | 0.5 | 0.913043 |
131 | PAP | 0.5 | 0.775281 |
132 | ACE MET LEU GLY PRO NH2 COA | 0.47549 | 0.913043 |
133 | PPS | 0.467626 | 0.721649 |
134 | SFC | 0.461111 | 0.934783 |
135 | RFC | 0.461111 | 0.934783 |
136 | A3P | 0.455224 | 0.764045 |
137 | 0WD | 0.447205 | 0.774194 |
138 | 5AD NJS | 0.433862 | 0.894737 |
139 | PUA | 0.408284 | 0.804348 |
140 | PTJ | 0.407895 | 0.833333 |
141 | A22 | 0.405405 | 0.797753 |
142 | UBG | 0.4 | 0.847826 |
143 | 3AM | 0.4 | 0.752809 |
144 | PAJ | 0.4 | 0.844444 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4k49.bio1) has 67 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4k49.bio1) has 57 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4k49.bio2) has 64 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4k49.bio2) has 56 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |