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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 1 families. | |||||
1 | 2YIM | Kd = 120 uM | MC4 | C26 H41 N7 O18 P3 S | C/C(=C([O-.... |
2 | 2GD6 | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
3 | 2GCI | - | MRR | C36 H64 N7 O17 P3 S | CCCCCCCCCC.... |
4 | 2GD0 | - | MRS | C36 H64 N7 O17 P3 S | CCCCCCCCCC.... |
5 | 2GD2 | - | CAA | C25 H40 N7 O18 P3 S | CC(=O)CC(=.... |
6 | 2GCE | Kd = 24.5 uM | RFC | C34 H53 N7 O17 P3 S | CC(C)Cc1cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2YIM | Kd = 120 uM | MC4 | C26 H41 N7 O18 P3 S | C/C(=C([O-.... |
2 | 2GD6 | - | ACO | C23 H38 N7 O17 P3 S | CC(=O)SCCN.... |
3 | 2GCI | - | MRR | C36 H64 N7 O17 P3 S | CCCCCCCCCC.... |
4 | 2GD0 | - | MRS | C36 H64 N7 O17 P3 S | CCCCCCCCCC.... |
5 | 2GD2 | - | CAA | C25 H40 N7 O18 P3 S | CC(=O)CC(=.... |
6 | 2GCE | Kd = 24.5 uM | RFC | C34 H53 N7 O17 P3 S | CC(C)Cc1cc.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MRR | 1 | 1 |
2 | MRS | 1 | 1 |
3 | HDC | 0.838028 | 1 |
4 | 0ET | 0.836879 | 0.977778 |
5 | MFK | 0.829787 | 1 |
6 | 5F9 | 0.829787 | 1 |
7 | MYA | 0.829787 | 1 |
8 | UCC | 0.829787 | 1 |
9 | ST9 | 0.829787 | 1 |
10 | DCC | 0.829787 | 1 |
11 | CO6 | 0.823529 | 0.977528 |
12 | CO8 | 0.822695 | 1 |
13 | MCA | 0.805755 | 0.966667 |
14 | YXR | 0.8 | 0.887755 |
15 | YXS | 0.8 | 0.887755 |
16 | 8Z2 | 0.795918 | 0.988889 |
17 | HXC | 0.795775 | 1 |
18 | IRC | 0.794326 | 0.966292 |
19 | ACO | 0.794118 | 0.988764 |
20 | NHW | 0.787671 | 0.977778 |
21 | NHM | 0.787671 | 0.977778 |
22 | UOQ | 0.787671 | 0.977778 |
23 | IVC | 0.785714 | 0.966292 |
24 | BCO | 0.785714 | 0.977528 |
25 | 3HC | 0.785714 | 0.966292 |
26 | 1VU | 0.784173 | 0.988764 |
27 | 3KK | 0.782609 | 0.977528 |
28 | COS | 0.779412 | 0.934066 |
29 | CAO | 0.779412 | 0.923913 |
30 | OXK | 0.776978 | 0.955556 |
31 | 0T1 | 0.77037 | 0.955056 |
32 | CS8 | 0.768707 | 0.988889 |
33 | 2MC | 0.765957 | 0.935484 |
34 | 2CP | 0.762238 | 0.945055 |
35 | A1S | 0.760563 | 0.955556 |
36 | MLC | 0.760563 | 0.955556 |
37 | 1HE | 0.760563 | 0.956044 |
38 | FYN | 0.757143 | 0.955056 |
39 | HGG | 0.756944 | 0.955556 |
40 | 1GZ | 0.756944 | 0.945055 |
41 | DCA | 0.755556 | 0.955056 |
42 | CAA | 0.755245 | 0.966292 |
43 | COO | 0.755245 | 0.955556 |
44 | SOP | 0.751773 | 0.955556 |
45 | COK | 0.751773 | 0.934066 |
46 | MC4 | 0.75 | 0.925532 |
47 | SCA | 0.75 | 0.955556 |
48 | GRA | 0.746575 | 0.955556 |
49 | CMC | 0.746479 | 0.934066 |
50 | 3CP | 0.744828 | 0.934066 |
51 | BYC | 0.744828 | 0.955556 |
52 | COW | 0.744828 | 0.945055 |
53 | KFV | 0.744828 | 0.896907 |
54 | COA | 0.744526 | 0.955056 |
55 | AMX | 0.741007 | 0.94382 |
56 | 30N | 0.741007 | 0.876289 |
57 | BCA | 0.739726 | 0.945055 |
58 | FAQ | 0.739726 | 0.955556 |
59 | CMX | 0.735714 | 0.933333 |
60 | FCX | 0.730496 | 0.903226 |
61 | FAM | 0.730496 | 0.913043 |
62 | YNC | 0.730263 | 0.945055 |
63 | ETB | 0.729927 | 0.922222 |
64 | TGC | 0.72973 | 0.945055 |
65 | MCD | 0.727273 | 0.955556 |
66 | HAX | 0.725352 | 0.913043 |
67 | 1CZ | 0.724832 | 0.945055 |
68 | CIC | 0.724832 | 0.934066 |
69 | 2NE | 0.724832 | 0.934783 |
70 | SCO | 0.723404 | 0.933333 |
71 | NMX | 0.722222 | 0.865979 |
72 | WCA | 0.721854 | 0.934783 |
73 | COF | 0.721088 | 0.913979 |
74 | 2KQ | 0.721088 | 0.977778 |
75 | DAK | 0.718954 | 0.924731 |
76 | CAJ | 0.717241 | 0.955556 |
77 | SCD | 0.717241 | 0.933333 |
78 | 4CA | 0.716216 | 0.923913 |
79 | CA6 | 0.715278 | 0.887755 |
80 | YZS | 0.715278 | 0.887755 |
81 | KGP | 0.715278 | 0.887755 |
82 | SO5 | 0.707483 | 0.878788 |
83 | LCV | 0.707483 | 0.878788 |
84 | 4KX | 0.705882 | 0.924731 |
85 | 4CO | 0.697368 | 0.923913 |
86 | 0FQ | 0.697368 | 0.934066 |
87 | J5H | 0.696774 | 0.955556 |
88 | 01A | 0.69281 | 0.894737 |
89 | HFQ | 0.690323 | 0.913979 |
90 | KGJ | 0.689189 | 0.876289 |
91 | 1CV | 0.688312 | 0.955556 |
92 | CA8 | 0.686667 | 0.868687 |
93 | KGA | 0.686667 | 0.867347 |
94 | 1HA | 0.685535 | 0.934783 |
95 | YE1 | 0.684564 | 0.923077 |
96 | 01K | 0.68125 | 0.955556 |
97 | F8G | 0.677019 | 0.93617 |
98 | NHQ | 0.672956 | 0.944444 |
99 | S0N | 0.668831 | 0.913043 |
100 | CCQ | 0.668831 | 0.935484 |
101 | UCA | 0.664671 | 0.977778 |
102 | 93P | 0.664671 | 0.923913 |
103 | 7L1 | 0.664384 | 0.988764 |
104 | CA3 | 0.658537 | 0.934066 |
105 | PLM COA | 0.649682 | 0.966667 |
106 | EO3 COA | 0.649682 | 0.966667 |
107 | DCR COA | 0.649682 | 0.966667 |
108 | X90 COA | 0.649682 | 0.966667 |
109 | MYR COA | 0.649682 | 0.966667 |
110 | DKA COA | 0.649682 | 0.966667 |
111 | DAO COA | 0.649682 | 0.966667 |
112 | N9V | 0.647436 | 0.923913 |
113 | COT | 0.646341 | 0.934066 |
114 | CO7 | 0.640523 | 0.955556 |
115 | 5TW | 0.636872 | 0.93617 |
116 | 4BN | 0.636872 | 0.93617 |
117 | 93M | 0.635838 | 0.923913 |
118 | RMW | 0.629412 | 0.934783 |
119 | 6NA COA | 0.620253 | 0.966667 |
120 | CA5 | 0.619883 | 0.894737 |
121 | BUA COA | 0.608974 | 0.944444 |
122 | COD | 0.606897 | 0.94382 |
123 | JBT | 0.585106 | 0.916667 |
124 | OXT | 0.572973 | 0.93617 |
125 | COA FLC | 0.568627 | 0.922222 |
126 | HMG | 0.567073 | 0.923077 |
127 | BSJ | 0.545455 | 0.904255 |
128 | ASP ASP ASP ILE NH2 CMC | 0.536313 | 0.913043 |
129 | SFC | 0.520231 | 0.956044 |
130 | RFC | 0.520231 | 0.956044 |
131 | ACE SER ASP ALY THR NH2 COA | 0.502591 | 0.913043 |
132 | PAP | 0.5 | 0.775281 |
133 | MET VAL ASN ALA CMC | 0.476923 | 0.913043 |
134 | PPS | 0.467626 | 0.721649 |
135 | 5AD NJS | 0.456989 | 0.894737 |
136 | 0WD | 0.45625 | 0.755319 |
137 | A3P | 0.455224 | 0.764045 |
138 | ACE MET LEU GLY PRO NH2 COA | 0.447115 | 0.913043 |
139 | S2N | 0.441379 | 0.688889 |
140 | 1ZZ | 0.436242 | 0.866667 |
141 | OMR | 0.43038 | 0.877778 |
142 | PUA | 0.42515 | 0.784946 |
143 | MDE | 0.411168 | 0.978022 |
144 | 3AM | 0.410448 | 0.752809 |
145 | YLB | 0.409938 | 0.888889 |
146 | PTJ | 0.407895 | 0.833333 |
147 | 9BG | 0.406061 | 0.755319 |
148 | A22 | 0.405405 | 0.777778 |
149 | MYR AMP | 0.405229 | 0.846154 |
150 | 5SV | 0.402685 | 0.853933 |
151 | UBG | 0.4 | 0.808511 |
152 | YLP | 0.4 | 0.888889 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2gce.bio2) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2gce.bio2) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2gce.bio2) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2gce.bio2) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2gce.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2gce.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 2gce.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 2gce.bio1) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |