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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 | MC4 | 1 | 1 |
2 | ACO | 0.887097 | 0.935484 |
3 | 3KK | 0.84375 | 0.945652 |
4 | COS | 0.84127 | 0.904255 |
5 | CAO | 0.84127 | 0.894737 |
6 | 2MC | 0.838462 | 0.967742 |
7 | OXK | 0.837209 | 0.924731 |
8 | SOP | 0.837209 | 0.924731 |
9 | CO6 | 0.830769 | 0.945652 |
10 | 1VU | 0.830769 | 0.935484 |
11 | KFV | 0.827068 | 0.888889 |
12 | CAA | 0.825758 | 0.934783 |
13 | COK | 0.823077 | 0.904255 |
14 | 1HE | 0.818182 | 0.905263 |
15 | IVC | 0.818182 | 0.934783 |
16 | 3HC | 0.818182 | 0.934783 |
17 | MLC | 0.818182 | 0.924731 |
18 | BCO | 0.818182 | 0.924731 |
19 | CMC | 0.816794 | 0.904255 |
20 | FYN | 0.815385 | 0.923913 |
21 | 30N | 0.8125 | 0.85 |
22 | COO | 0.81203 | 0.945652 |
23 | MCA | 0.81203 | 0.935484 |
24 | SCA | 0.80597 | 0.924731 |
25 | YXS | 0.80597 | 0.861386 |
26 | YXR | 0.80597 | 0.861386 |
27 | 0T1 | 0.80315 | 0.903226 |
28 | COA | 0.80315 | 0.923913 |
29 | DCA | 0.801587 | 0.903226 |
30 | HXC | 0.801471 | 0.925532 |
31 | IRC | 0.8 | 0.934783 |
32 | BYC | 0.8 | 0.924731 |
33 | 1GZ | 0.8 | 0.935484 |
34 | COW | 0.8 | 0.914894 |
35 | HGG | 0.8 | 0.924731 |
36 | BCA | 0.794118 | 0.914894 |
37 | FAQ | 0.794118 | 0.924731 |
38 | A1S | 0.791045 | 0.904255 |
39 | 2NE | 0.789855 | 0.905263 |
40 | GRA | 0.788321 | 0.924731 |
41 | ETB | 0.787402 | 0.87234 |
42 | COF | 0.786765 | 0.885417 |
43 | AMX | 0.784615 | 0.913043 |
44 | TGC | 0.782609 | 0.914894 |
45 | 2CP | 0.779412 | 0.914894 |
46 | SCO | 0.778626 | 0.903226 |
47 | CMX | 0.778626 | 0.903226 |
48 | 1CZ | 0.776978 | 0.914894 |
49 | CO8 | 0.776978 | 0.925532 |
50 | 3CP | 0.773723 | 0.904255 |
51 | 2KQ | 0.773723 | 0.925532 |
52 | CS8 | 0.77305 | 0.915789 |
53 | FCX | 0.772727 | 0.875 |
54 | FAM | 0.772727 | 0.884211 |
55 | DCC | 0.771429 | 0.925532 |
56 | MYA | 0.771429 | 0.925532 |
57 | 5F9 | 0.771429 | 0.925532 |
58 | ST9 | 0.771429 | 0.925532 |
59 | MFK | 0.771429 | 0.925532 |
60 | UCC | 0.771429 | 0.925532 |
61 | SCD | 0.77037 | 0.903226 |
62 | 4CA | 0.768116 | 0.894737 |
63 | HAX | 0.766917 | 0.884211 |
64 | KGJ | 0.764706 | 0.868687 |
65 | NMX | 0.762963 | 0.858586 |
66 | WCA | 0.760563 | 0.925532 |
67 | 4CO | 0.758865 | 0.894737 |
68 | 0FQ | 0.758865 | 0.904255 |
69 | J5H | 0.756944 | 0.924731 |
70 | CA6 | 0.755556 | 0.843137 |
71 | KGP | 0.755556 | 0.861386 |
72 | YZS | 0.755556 | 0.861386 |
73 | MCD | 0.755556 | 0.904255 |
74 | 4KX | 0.755245 | 0.956989 |
75 | HDC | 0.755245 | 0.925532 |
76 | NHW | 0.755245 | 0.905263 |
77 | NHM | 0.755245 | 0.905263 |
78 | UOQ | 0.755245 | 0.905263 |
79 | 01A | 0.753521 | 0.867347 |
80 | CIC | 0.751773 | 0.904255 |
81 | HFQ | 0.75 | 0.885417 |
82 | MRR | 0.75 | 0.925532 |
83 | MRS | 0.75 | 0.925532 |
84 | KGA | 0.748201 | 0.86 |
85 | DAK | 0.744828 | 0.915789 |
86 | YNC | 0.744828 | 0.935484 |
87 | CAJ | 0.744526 | 0.904255 |
88 | 0ET | 0.741259 | 0.905263 |
89 | 8Z2 | 0.739726 | 0.93617 |
90 | 1CV | 0.736111 | 0.924731 |
91 | LCV | 0.733813 | 0.852941 |
92 | SO5 | 0.733813 | 0.852941 |
93 | YE1 | 0.733813 | 0.893617 |
94 | 1HA | 0.731544 | 0.905263 |
95 | 01K | 0.726667 | 0.924731 |
96 | 7L1 | 0.725926 | 0.935484 |
97 | CA8 | 0.723404 | 0.843137 |
98 | NHQ | 0.718121 | 0.913979 |
99 | CCQ | 0.715278 | 0.926316 |
100 | F8G | 0.710526 | 0.947368 |
101 | COT | 0.710526 | 0.904255 |
102 | S0N | 0.703448 | 0.884211 |
103 | CA3 | 0.690323 | 0.904255 |
104 | CA5 | 0.679245 | 0.867347 |
105 | UCA | 0.675 | 0.925532 |
106 | CO7 | 0.673611 | 0.945652 |
107 | 93P | 0.664596 | 0.894737 |
108 | RMW | 0.658385 | 0.925532 |
109 | 93M | 0.654545 | 0.894737 |
110 | COD | 0.651852 | 0.913043 |
111 | N9V | 0.635762 | 0.894737 |
112 | BUA COA | 0.628378 | 0.913979 |
113 | 4BN | 0.626437 | 0.947368 |
114 | 5TW | 0.626437 | 0.947368 |
115 | 6NA COA | 0.618421 | 0.914894 |
116 | OXT | 0.614943 | 0.907216 |
117 | HMG | 0.614379 | 0.913979 |
118 | COA FLC | 0.608392 | 0.913043 |
119 | MYR COA | 0.596154 | 0.914894 |
120 | PLM COA | 0.596154 | 0.914894 |
121 | DKA COA | 0.596154 | 0.914894 |
122 | X90 COA | 0.596154 | 0.914894 |
123 | DCR COA | 0.596154 | 0.914894 |
124 | EO3 COA | 0.596154 | 0.914894 |
125 | DAO COA | 0.596154 | 0.914894 |
126 | JBT | 0.582418 | 0.87 |
127 | BSJ | 0.567416 | 0.876289 |
128 | ASP ASP ASP ILE NH2 CMC | 0.558824 | 0.884211 |
129 | PAP | 0.552846 | 0.75 |
130 | ACE SER ASP ALY THR NH2 COA | 0.521739 | 0.904255 |
131 | SFC | 0.505952 | 0.946237 |
132 | RFC | 0.505952 | 0.946237 |
133 | PPS | 0.503876 | 0.7 |
134 | MET VAL ASN ALA CMC | 0.494624 | 0.884211 |
135 | A3P | 0.491935 | 0.73913 |
136 | 0WD | 0.486667 | 0.787234 |
137 | 5AD NJS | 0.482955 | 0.946809 |
138 | ACE MET LEU GLY PRO NH2 COA | 0.462312 | 0.884211 |
139 | PTJ | 0.43662 | 0.806452 |
140 | 3AM | 0.432 | 0.728261 |
141 | PAJ | 0.428571 | 0.817204 |
142 | 3OD | 0.426573 | 0.763441 |
143 | ATR | 0.425373 | 0.73913 |
144 | PUA | 0.425 | 0.778947 |
145 | A22 | 0.42446 | 0.752688 |
146 | ADP | 0.419847 | 0.76087 |
147 | A2D | 0.418605 | 0.741935 |
148 | HQG | 0.417266 | 0.752688 |
149 | AGS | 0.414815 | 0.765957 |
150 | UBG | 0.414773 | 0.783505 |
151 | 9BG | 0.414013 | 0.731959 |
152 | OAD | 0.412587 | 0.763441 |
153 | 48N | 0.407895 | 0.768421 |
154 | 2A5 | 0.407407 | 0.782609 |
155 | A2R | 0.407143 | 0.752688 |
156 | 8LE | 0.405797 | 0.784946 |
157 | NA7 | 0.402778 | 0.793478 |
158 | 9X8 | 0.402778 | 0.765957 |
159 | BA3 | 0.401515 | 0.741935 |
160 | HEJ | 0.4 | 0.76087 |
161 | YLB | 0.4 | 0.840426 |
162 | ATP | 0.4 | 0.76087 |
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 |