- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- 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 | 6EEV | - | MEV | C6 H11 O4 | C[C@@](CCO.... |
2 | 6DIO | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 6P7K | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
4 | 1R31 | - | MEV | C6 H11 O4 | C[C@@](CCO.... |
5 | 4I4B | - | 1CV | C27 H46 N7 O19 P3 S2 | C[C@@](C[C.... |
6 | 4I6A | - | HMG | C27 H39 N7 O20 P3 S | C[C@](CC(=.... |
7 | 4I6W | - | 1CO | C6 H12 O3 S | C[C@@](CCS.... |
8 | 4I56 | - | 1CZ | C27 H44 N7 O19 P3 S2 | C[C@](CC(=.... |
9 | 4I6Y | - | MEV | C6 H11 O4 | C[C@@](CCO.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6EEV | - | MEV | C6 H11 O4 | C[C@@](CCO.... |
2 | 6DIO | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 6P7K | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
4 | 1R31 | - | MEV | C6 H11 O4 | C[C@@](CCO.... |
5 | 4I4B | - | 1CV | C27 H46 N7 O19 P3 S2 | C[C@@](C[C.... |
6 | 4I6A | - | HMG | C27 H39 N7 O20 P3 S | C[C@](CC(=.... |
7 | 4I6W | - | 1CO | C6 H12 O3 S | C[C@@](CCS.... |
8 | 4I56 | - | 1CZ | C27 H44 N7 O19 P3 S2 | C[C@](CC(=.... |
9 | 4I6Y | - | MEV | C6 H11 O4 | C[C@@](CCO.... |
10 | 5WPJ | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
11 | 5WPK | - | HMG | C27 H39 N7 O20 P3 S | C[C@](CC(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1CZ | 1 | 1 |
2 | 3KK | 0.825758 | 0.966292 |
3 | ACO | 0.824427 | 0.955556 |
4 | OXK | 0.819549 | 0.988636 |
5 | MLC | 0.814815 | 0.988636 |
6 | CO6 | 0.813433 | 0.966292 |
7 | 2KQ | 0.810219 | 0.966667 |
8 | COS | 0.80916 | 0.944444 |
9 | CAO | 0.80916 | 0.934066 |
10 | 1CV | 0.808511 | 0.988636 |
11 | SCA | 0.80292 | 0.988636 |
12 | 1VU | 0.8 | 0.955556 |
13 | CMC | 0.8 | 0.966292 |
14 | HGG | 0.797101 | 0.988636 |
15 | MCA | 0.79562 | 0.977528 |
16 | 2MC | 0.794118 | 0.924731 |
17 | TGC | 0.792857 | 0.977528 |
18 | COK | 0.792593 | 0.944444 |
19 | BCO | 0.788321 | 0.966292 |
20 | IVC | 0.788321 | 0.977273 |
21 | 3HC | 0.788321 | 0.977273 |
22 | 1HE | 0.788321 | 0.945055 |
23 | CIC | 0.787234 | 0.966292 |
24 | GRA | 0.785714 | 0.988636 |
25 | FYN | 0.785185 | 0.965909 |
26 | 1GZ | 0.784173 | 0.955556 |
27 | CAA | 0.782609 | 0.977273 |
28 | COO | 0.782609 | 0.966292 |
29 | SOP | 0.779412 | 0.944444 |
30 | MC4 | 0.776978 | 0.914894 |
31 | YXS | 0.776978 | 0.896907 |
32 | YXR | 0.776978 | 0.896907 |
33 | SCO | 0.776119 | 0.965909 |
34 | CMX | 0.776119 | 0.965909 |
35 | 0T1 | 0.772727 | 0.94382 |
36 | COA | 0.772727 | 0.965909 |
37 | IRC | 0.771429 | 0.977273 |
38 | COW | 0.771429 | 0.955556 |
39 | 3CP | 0.771429 | 0.966292 |
40 | KFV | 0.771429 | 0.886598 |
41 | BYC | 0.771429 | 0.966292 |
42 | DCA | 0.770992 | 0.922222 |
43 | 30N | 0.768657 | 0.905263 |
44 | SCD | 0.768116 | 0.965909 |
45 | FAQ | 0.765957 | 0.966292 |
46 | BCA | 0.765957 | 0.955556 |
47 | 2CP | 0.764286 | 0.955556 |
48 | A1S | 0.76259 | 0.944444 |
49 | HXC | 0.760563 | 0.945055 |
50 | ETB | 0.757576 | 0.89011 |
51 | FCX | 0.757353 | 0.934066 |
52 | AMX | 0.755556 | 0.954545 |
53 | CA6 | 0.753623 | 0.877551 |
54 | 2NE | 0.75 | 0.945055 |
55 | CO8 | 0.75 | 0.945055 |
56 | COF | 0.746479 | 0.923913 |
57 | MFK | 0.744828 | 0.945055 |
58 | DCC | 0.744828 | 0.945055 |
59 | ST9 | 0.744828 | 0.945055 |
60 | MYA | 0.744828 | 0.945055 |
61 | 5F9 | 0.744828 | 0.945055 |
62 | UCC | 0.744828 | 0.945055 |
63 | FAM | 0.744526 | 0.923077 |
64 | 4CA | 0.741259 | 0.934066 |
65 | MCD | 0.741007 | 0.944444 |
66 | KGP | 0.741007 | 0.896907 |
67 | YZS | 0.741007 | 0.896907 |
68 | HAX | 0.73913 | 0.923077 |
69 | CS8 | 0.734694 | 0.934783 |
70 | WCA | 0.734694 | 0.945055 |
71 | J5H | 0.731544 | 0.966292 |
72 | 4KX | 0.72973 | 0.934783 |
73 | HDC | 0.72973 | 0.945055 |
74 | MRR | 0.724832 | 0.945055 |
75 | MRS | 0.724832 | 0.945055 |
76 | NMX | 0.723404 | 0.875 |
77 | 4CO | 0.721088 | 0.934066 |
78 | 0FQ | 0.721088 | 0.944444 |
79 | YNC | 0.72 | 0.955556 |
80 | DAK | 0.72 | 0.934783 |
81 | CAJ | 0.71831 | 0.944444 |
82 | 01A | 0.716216 | 0.904255 |
83 | 0ET | 0.716216 | 0.923913 |
84 | 8Z2 | 0.715232 | 0.934783 |
85 | KGJ | 0.713287 | 0.865979 |
86 | LCV | 0.708333 | 0.907216 |
87 | YE1 | 0.708333 | 0.933333 |
88 | SO5 | 0.708333 | 0.907216 |
89 | NHM | 0.706667 | 0.923913 |
90 | NHW | 0.706667 | 0.923913 |
91 | UOQ | 0.706667 | 0.923913 |
92 | HFQ | 0.701987 | 0.923913 |
93 | CA8 | 0.69863 | 0.896907 |
94 | KGA | 0.69863 | 0.876289 |
95 | 1HA | 0.696774 | 0.945055 |
96 | S0N | 0.691275 | 0.944444 |
97 | 7L1 | 0.687943 | 0.955556 |
98 | F8G | 0.687898 | 0.925532 |
99 | NHQ | 0.683871 | 0.955056 |
100 | 01K | 0.681529 | 0.944444 |
101 | CCQ | 0.68 | 0.924731 |
102 | COT | 0.666667 | 0.944444 |
103 | UCA | 0.664634 | 0.945055 |
104 | CO7 | 0.662162 | 0.966292 |
105 | CA3 | 0.658385 | 0.944444 |
106 | 93P | 0.654545 | 0.955556 |
107 | CA5 | 0.648485 | 0.904255 |
108 | COD | 0.640288 | 0.954545 |
109 | RMW | 0.638554 | 0.945055 |
110 | N9V | 0.636364 | 0.934066 |
111 | 93M | 0.635294 | 0.955556 |
112 | HMG | 0.615385 | 0.955056 |
113 | 4BN | 0.6 | 0.905263 |
114 | 5TW | 0.6 | 0.905263 |
115 | BUA COA | 0.597403 | 0.933333 |
116 | OXT | 0.588889 | 0.905263 |
117 | JBT | 0.583784 | 0.90625 |
118 | 6NA COA | 0.578616 | 0.913043 |
119 | COA FLC | 0.577181 | 0.932584 |
120 | BSJ | 0.569061 | 0.934783 |
121 | X90 COA | 0.567901 | 0.913043 |
122 | EO3 COA | 0.567901 | 0.913043 |
123 | DKA COA | 0.567901 | 0.913043 |
124 | PLM COA | 0.567901 | 0.913043 |
125 | MYR COA | 0.567901 | 0.913043 |
126 | DAO COA | 0.567901 | 0.913043 |
127 | DCR COA | 0.567901 | 0.913043 |
128 | ASP ASP ASP ILE NH2 CMC | 0.534091 | 0.923077 |
129 | PAP | 0.51938 | 0.784091 |
130 | RFC | 0.491329 | 0.945055 |
131 | SFC | 0.491329 | 0.945055 |
132 | PPS | 0.485075 | 0.747368 |
133 | ACE SER ASP ALY THR NH2 COA | 0.476684 | 0.923077 |
134 | MET VAL ASN ALA CMC | 0.473958 | 0.902174 |
135 | A3P | 0.472868 | 0.772727 |
136 | 0WD | 0.470968 | 0.763441 |
137 | 5AD NJS | 0.445652 | 0.924731 |
138 | ACE MET LEU GLY PRO NH2 COA | 0.443902 | 0.902174 |
139 | PTJ | 0.431507 | 0.863636 |
140 | UBG | 0.426966 | 0.817204 |
141 | 3OD | 0.421769 | 0.818182 |
142 | AGS | 0.42029 | 0.820225 |
143 | A22 | 0.41958 | 0.786517 |
144 | OAD | 0.417808 | 0.818182 |
145 | 9X8 | 0.417808 | 0.840909 |
146 | 3AM | 0.415385 | 0.761364 |
147 | PAJ | 0.413793 | 0.875 |
148 | A2D | 0.413534 | 0.775281 |
149 | HQG | 0.412587 | 0.806818 |
150 | A2R | 0.412587 | 0.806818 |
151 | PUA | 0.412121 | 0.793478 |
152 | 8LE | 0.411348 | 0.840909 |
153 | ATR | 0.410072 | 0.772727 |
154 | 9BG | 0.409938 | 0.763441 |
155 | NA7 | 0.408163 | 0.829545 |
156 | ADP | 0.404412 | 0.795455 |
157 | 48N | 0.403846 | 0.802198 |
158 | APR | 0.402878 | 0.795455 |
159 | 2A5 | 0.402878 | 0.818182 |
160 | AR6 | 0.402878 | 0.795455 |
161 | JNT | 0.401361 | 0.818182 |
162 | NJP | 0.401235 | 0.78022 |
163 | 8LQ | 0.4 | 0.829545 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4i4b.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4i4b.bio1) has 57 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |