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- 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 3 families. | |||||
1 | 6REQ | - | 3CP | C25 H42 N7 O18 P3 S | CC(C)(CO[P.... |
2 | 2REQ | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
3 | 5REQ | - | MCD | C26 H42 N7 O19 P3 | C[C@@H](C(.... |
4 | 4REQ | - | MCA | C25 H40 N7 O19 P3 S | C[C@H](C(=.... |
5 | 7REQ | - | 2CP | C25 H42 N7 O18 P3 S | C[C@@H](CS.... |
6 | 1REQ | - | DCA | C21 H36 N7 O16 P3 | CCNC(=O)CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 6REQ | - | 3CP | C25 H42 N7 O18 P3 S | CC(C)(CO[P.... |
2 | 2REQ | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
3 | 5REQ | - | MCD | C26 H42 N7 O19 P3 | C[C@@H](C(.... |
4 | 4REQ | - | MCA | C25 H40 N7 O19 P3 S | C[C@H](C(=.... |
5 | 7REQ | - | 2CP | C25 H42 N7 O18 P3 S | C[C@@H](CS.... |
6 | 1REQ | - | DCA | C21 H36 N7 O16 P3 | CCNC(=O)CC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3CP | 1 | 1 |
2 | CMC | 0.867188 | 1 |
3 | A1S | 0.853846 | 0.977273 |
4 | SOP | 0.844961 | 0.977273 |
5 | CMX | 0.84252 | 0.977012 |
6 | CIC | 0.837037 | 1 |
7 | COS | 0.834646 | 0.955056 |
8 | CAO | 0.834646 | 0.944444 |
9 | SCO | 0.828125 | 0.977012 |
10 | 2CP | 0.827068 | 0.988636 |
11 | GRA | 0.822222 | 0.977273 |
12 | ACO | 0.821705 | 0.944444 |
13 | OXK | 0.816794 | 0.977273 |
14 | SCA | 0.813433 | 0.977273 |
15 | MLC | 0.81203 | 0.977273 |
16 | 3KK | 0.80916 | 0.955056 |
17 | FYN | 0.80916 | 0.977012 |
18 | COF | 0.807407 | 0.955556 |
19 | AMX | 0.806202 | 0.965517 |
20 | COO | 0.80597 | 0.955056 |
21 | SCD | 0.804511 | 0.977012 |
22 | COK | 0.80303 | 0.955056 |
23 | 4CA | 0.801471 | 0.966292 |
24 | 1VU | 0.796992 | 0.944444 |
25 | CO6 | 0.796992 | 0.955056 |
26 | COA | 0.796875 | 0.977012 |
27 | 0T1 | 0.796875 | 0.954545 |
28 | DCA | 0.795276 | 0.932584 |
29 | HGG | 0.794118 | 0.977273 |
30 | 2KQ | 0.794118 | 0.955556 |
31 | MCA | 0.792593 | 0.966292 |
32 | 30N | 0.792308 | 0.894737 |
33 | 2MC | 0.791045 | 0.913979 |
34 | TGC | 0.789855 | 0.988636 |
35 | MCD | 0.789474 | 0.955056 |
36 | 0ET | 0.785714 | 0.955556 |
37 | 1HE | 0.785185 | 0.955556 |
38 | 3HC | 0.785185 | 0.965909 |
39 | BCO | 0.785185 | 0.955056 |
40 | IVC | 0.785185 | 0.965909 |
41 | ETB | 0.78125 | 0.9 |
42 | COW | 0.781022 | 0.944444 |
43 | BYC | 0.781022 | 0.955056 |
44 | 1GZ | 0.781022 | 0.944444 |
45 | FCX | 0.780303 | 0.944444 |
46 | CAA | 0.779412 | 0.965909 |
47 | 0FQ | 0.778571 | 0.977273 |
48 | 4CO | 0.778571 | 0.966292 |
49 | CAJ | 0.777778 | 0.955056 |
50 | CA6 | 0.776119 | 0.886598 |
51 | BCA | 0.775362 | 0.944444 |
52 | UOQ | 0.774648 | 0.955556 |
53 | NHM | 0.774648 | 0.955556 |
54 | NHW | 0.774648 | 0.955556 |
55 | HAX | 0.774436 | 0.933333 |
56 | YXR | 0.773723 | 0.867347 |
57 | YXS | 0.773723 | 0.867347 |
58 | MC4 | 0.773723 | 0.904255 |
59 | 01A | 0.77305 | 0.934783 |
60 | 1CZ | 0.771429 | 0.966292 |
61 | NMX | 0.77037 | 0.884211 |
62 | HXC | 0.769784 | 0.934066 |
63 | IRC | 0.768116 | 0.965909 |
64 | KFV | 0.768116 | 0.876289 |
65 | CS8 | 0.767606 | 0.945055 |
66 | FAM | 0.766917 | 0.933333 |
67 | CA3 | 0.765101 | 0.977273 |
68 | YZS | 0.762963 | 0.867347 |
69 | KGP | 0.762963 | 0.867347 |
70 | FAQ | 0.76259 | 0.955056 |
71 | NHQ | 0.760274 | 0.988506 |
72 | CO8 | 0.758865 | 0.934066 |
73 | 2NE | 0.758865 | 0.934066 |
74 | HFQ | 0.756944 | 0.955556 |
75 | 1CV | 0.755245 | 0.977273 |
76 | MYA | 0.753521 | 0.934066 |
77 | MFK | 0.753521 | 0.934066 |
78 | 5F9 | 0.753521 | 0.934066 |
79 | DCC | 0.753521 | 0.934066 |
80 | ST9 | 0.753521 | 0.934066 |
81 | UCC | 0.753521 | 0.934066 |
82 | 93P | 0.746753 | 0.988636 |
83 | KGJ | 0.746377 | 0.875 |
84 | 01K | 0.744966 | 0.977273 |
85 | MRR | 0.744828 | 0.934066 |
86 | MRS | 0.744828 | 0.934066 |
87 | WCA | 0.743056 | 0.934066 |
88 | CA8 | 0.742857 | 0.867347 |
89 | YE1 | 0.741007 | 0.94382 |
90 | DAK | 0.739726 | 0.945055 |
91 | HDC | 0.737931 | 0.934066 |
92 | 4KX | 0.737931 | 0.923913 |
93 | 8Z2 | 0.734694 | 0.923913 |
94 | LCV | 0.728571 | 0.877551 |
95 | SO5 | 0.728571 | 0.877551 |
96 | J5H | 0.727891 | 0.955056 |
97 | YNC | 0.727891 | 0.944444 |
98 | S0N | 0.722222 | 0.955056 |
99 | KGA | 0.71831 | 0.885417 |
100 | COT | 0.717105 | 0.977273 |
101 | 1HA | 0.715232 | 0.934066 |
102 | F8G | 0.694805 | 0.914894 |
103 | 93M | 0.691358 | 0.988636 |
104 | RMW | 0.685535 | 0.934066 |
105 | CA5 | 0.685535 | 0.934783 |
106 | CCQ | 0.675676 | 0.934783 |
107 | 7L1 | 0.671429 | 0.944444 |
108 | CO7 | 0.668966 | 0.955056 |
109 | UCA | 0.660494 | 0.934066 |
110 | COD | 0.647059 | 0.965517 |
111 | N9V | 0.642384 | 0.923077 |
112 | OXT | 0.611429 | 0.894737 |
113 | 4BN | 0.60452 | 0.894737 |
114 | 5TW | 0.60452 | 0.894737 |
115 | COA FLC | 0.593103 | 0.943182 |
116 | BUA COA | 0.592105 | 0.922222 |
117 | 6NA COA | 0.583333 | 0.902174 |
118 | JBT | 0.579235 | 0.895833 |
119 | BSJ | 0.573034 | 0.966667 |
120 | DKA COA | 0.572327 | 0.902174 |
121 | EO3 COA | 0.572327 | 0.902174 |
122 | DAO COA | 0.572327 | 0.902174 |
123 | X90 COA | 0.572327 | 0.902174 |
124 | PLM COA | 0.572327 | 0.902174 |
125 | DCR COA | 0.572327 | 0.902174 |
126 | MYR COA | 0.572327 | 0.902174 |
127 | HMG | 0.56962 | 0.94382 |
128 | ASP ASP ASP ILE NH2 CMC | 0.564706 | 0.955056 |
129 | PAP | 0.536 | 0.793103 |
130 | ACE SER ASP ALY THR NH2 COA | 0.518919 | 0.955056 |
131 | MET VAL ASN ALA CMC | 0.5 | 0.933333 |
132 | PPS | 0.48855 | 0.736842 |
133 | A3P | 0.488 | 0.781609 |
134 | RFC | 0.48538 | 0.934066 |
135 | SFC | 0.48538 | 0.934066 |
136 | 0WD | 0.473684 | 0.771739 |
137 | ACE MET LEU GLY PRO NH2 COA | 0.467337 | 0.933333 |
138 | 5AD NJS | 0.447514 | 0.913979 |
139 | PTJ | 0.433566 | 0.873563 |
140 | 3AM | 0.428571 | 0.770115 |
141 | WAQ | 0.426573 | 0.862069 |
142 | PUA | 0.42236 | 0.802198 |
143 | A22 | 0.421429 | 0.795455 |
144 | PAJ | 0.415493 | 0.885057 |
145 | A2D | 0.415385 | 0.784091 |
146 | HQG | 0.414286 | 0.816092 |
147 | 3OD | 0.413793 | 0.827586 |
148 | UBG | 0.412429 | 0.826087 |
149 | AGS | 0.411765 | 0.788889 |
150 | ATR | 0.411765 | 0.781609 |
151 | 9BG | 0.411392 | 0.771739 |
152 | YLB | 0.406452 | 0.909091 |
153 | ADP | 0.406015 | 0.804598 |
154 | YLP | 0.405229 | 0.88764 |
155 | 48N | 0.405229 | 0.811111 |
156 | A2R | 0.404255 | 0.816092 |
157 | 8LE | 0.402878 | 0.850575 |
158 | F2R | 0.402516 | 0.866667 |
159 | NA7 | 0.4 | 0.83908 |
160 | OAD | 0.4 | 0.827586 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1req.bio2) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1req.bio1) has 43 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |