- 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 266 families. | |||||
1 | 6C28 | Kd = 68 uM | WCA | C30 H42 N7 O18 P3 S | CC(C)(COP(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 6C28 | Kd = 68 uM | WCA | C30 H42 N7 O18 P3 S | CC(C)(COP(.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | WCA | 1 | 1 |
2 | DAK | 0.891304 | 0.967033 |
3 | COO | 0.844444 | 0.977528 |
4 | 1GZ | 0.832117 | 0.966667 |
5 | BCA | 0.81295 | 0.988764 |
6 | ACO | 0.80597 | 0.945055 |
7 | 3KK | 0.794118 | 0.955556 |
8 | COS | 0.791045 | 0.934066 |
9 | CAO | 0.791045 | 0.923913 |
10 | OXK | 0.788321 | 0.955556 |
11 | CO6 | 0.782609 | 0.955556 |
12 | 1VU | 0.782609 | 0.945055 |
13 | FYN | 0.781022 | 0.955056 |
14 | 2MC | 0.776978 | 0.935484 |
15 | COK | 0.775362 | 0.934066 |
16 | 4CA | 0.774648 | 0.966667 |
17 | 1HE | 0.771429 | 0.934783 |
18 | IVC | 0.771429 | 0.966292 |
19 | BCO | 0.771429 | 0.955556 |
20 | 3HC | 0.771429 | 0.966292 |
21 | MLC | 0.771429 | 0.955556 |
22 | 8Z2 | 0.77027 | 0.945652 |
23 | BYC | 0.767606 | 0.977528 |
24 | CAA | 0.765957 | 0.966292 |
25 | MCA | 0.765957 | 0.945055 |
26 | 4CO | 0.765517 | 0.966667 |
27 | SOP | 0.76259 | 0.934066 |
28 | YXR | 0.760563 | 0.868687 |
29 | MC4 | 0.760563 | 0.925532 |
30 | YXS | 0.760563 | 0.868687 |
31 | SCA | 0.760563 | 0.955556 |
32 | CMC | 0.757143 | 0.934066 |
33 | COA | 0.755556 | 0.955056 |
34 | 0T1 | 0.755556 | 0.933333 |
35 | KFV | 0.755245 | 0.877551 |
36 | HGG | 0.755245 | 0.955556 |
37 | COW | 0.755245 | 0.966667 |
38 | IRC | 0.755245 | 0.966292 |
39 | DCA | 0.753731 | 0.912088 |
40 | ETB | 0.753731 | 0.880435 |
41 | 30N | 0.751825 | 0.876289 |
42 | FAQ | 0.75 | 0.977528 |
43 | 2NE | 0.746575 | 0.977778 |
44 | A1S | 0.746479 | 0.934066 |
45 | HXC | 0.744828 | 0.934783 |
46 | GRA | 0.744828 | 0.955556 |
47 | 3CP | 0.743056 | 0.934066 |
48 | TGC | 0.739726 | 0.945055 |
49 | AMX | 0.73913 | 0.94382 |
50 | 2CP | 0.736111 | 0.923913 |
51 | HAX | 0.735714 | 0.913043 |
52 | CO8 | 0.734694 | 0.934783 |
53 | 1CZ | 0.734694 | 0.945055 |
54 | CMX | 0.733813 | 0.933333 |
55 | SCO | 0.733813 | 0.933333 |
56 | CS8 | 0.731544 | 0.924731 |
57 | 2KQ | 0.731034 | 0.934783 |
58 | COF | 0.731034 | 0.913979 |
59 | DCC | 0.72973 | 0.934783 |
60 | UCC | 0.72973 | 0.934783 |
61 | 5F9 | 0.72973 | 0.934783 |
62 | ST9 | 0.72973 | 0.934783 |
63 | MFK | 0.72973 | 0.934783 |
64 | MYA | 0.72973 | 0.934783 |
65 | FCX | 0.728571 | 0.903226 |
66 | FAM | 0.728571 | 0.913043 |
67 | 4KX | 0.726667 | 0.967033 |
68 | CIC | 0.722973 | 0.934066 |
69 | MRR | 0.721854 | 0.934783 |
70 | MRS | 0.721854 | 0.934783 |
71 | 0FQ | 0.718121 | 0.955556 |
72 | YE1 | 0.717241 | 0.966292 |
73 | J5H | 0.717105 | 0.977528 |
74 | SCD | 0.715278 | 0.933333 |
75 | HDC | 0.715232 | 0.934783 |
76 | 01A | 0.713333 | 0.914894 |
77 | MCD | 0.713287 | 0.913043 |
78 | YZS | 0.713287 | 0.868687 |
79 | KGP | 0.713287 | 0.868687 |
80 | CA6 | 0.713287 | 0.85 |
81 | HFQ | 0.710526 | 0.956044 |
82 | NMX | 0.708333 | 0.865979 |
83 | YNC | 0.705882 | 0.966667 |
84 | CO7 | 0.705479 | 0.977528 |
85 | CAJ | 0.703448 | 0.913043 |
86 | 0ET | 0.701987 | 0.913979 |
87 | KGJ | 0.69863 | 0.857143 |
88 | 1CV | 0.697368 | 0.955556 |
89 | 1HA | 0.694268 | 0.977778 |
90 | LCV | 0.693878 | 0.86 |
91 | SO5 | 0.693878 | 0.86 |
92 | UOQ | 0.69281 | 0.913979 |
93 | NHM | 0.69281 | 0.913979 |
94 | NHW | 0.69281 | 0.913979 |
95 | F8G | 0.685535 | 0.93617 |
96 | KGA | 0.684564 | 0.848485 |
97 | CA8 | 0.684564 | 0.887755 |
98 | S0N | 0.677632 | 0.934066 |
99 | NHQ | 0.670886 | 0.944444 |
100 | 01K | 0.66875 | 0.934066 |
101 | CCQ | 0.666667 | 0.914894 |
102 | COT | 0.664596 | 0.955556 |
103 | UCA | 0.662651 | 0.956044 |
104 | 7L1 | 0.662069 | 0.945055 |
105 | CA3 | 0.656442 | 0.955556 |
106 | CA5 | 0.636905 | 0.914894 |
107 | RMW | 0.627219 | 0.956044 |
108 | N9V | 0.624204 | 0.923913 |
109 | 93P | 0.623529 | 0.945055 |
110 | COD | 0.615385 | 0.94382 |
111 | 93M | 0.605714 | 0.945055 |
112 | 4BN | 0.598901 | 0.93617 |
113 | 5TW | 0.598901 | 0.93617 |
114 | BUA COA | 0.585987 | 0.923077 |
115 | OXT | 0.579235 | 0.915789 |
116 | 6NA COA | 0.567901 | 0.903226 |
117 | JBT | 0.566138 | 0.896907 |
118 | COA FLC | 0.565789 | 0.922222 |
119 | HMG | 0.564417 | 0.923077 |
120 | MYR COA | 0.557576 | 0.903226 |
121 | EO3 COA | 0.557576 | 0.903226 |
122 | DKA COA | 0.557576 | 0.903226 |
123 | X90 COA | 0.557576 | 0.903226 |
124 | DAO COA | 0.557576 | 0.903226 |
125 | DCR COA | 0.557576 | 0.903226 |
126 | PLM COA | 0.557576 | 0.903226 |
127 | BSJ | 0.551351 | 0.924731 |
128 | ASP ASP ASP ILE NH2 CMC | 0.516667 | 0.892473 |
129 | PAP | 0.507576 | 0.775281 |
130 | 5AD NJS | 0.486188 | 0.935484 |
131 | RFC | 0.482955 | 0.956044 |
132 | SFC | 0.482955 | 0.956044 |
133 | ACE SER ASP ALY THR NH2 COA | 0.476923 | 0.892473 |
134 | PPS | 0.474453 | 0.721649 |
135 | A3P | 0.462121 | 0.764045 |
136 | MET VAL ASN ALA CMC | 0.459184 | 0.892473 |
137 | 0WD | 0.45283 | 0.793478 |
138 | ACE MET LEU GLY PRO NH2 COA | 0.430622 | 0.892473 |
139 | PTJ | 0.422819 | 0.833333 |
140 | PAJ | 0.414966 | 0.844444 |
141 | PUA | 0.413174 | 0.824176 |
142 | 3AM | 0.406015 | 0.752809 |
143 | HQG | 0.40411 | 0.777778 |
144 | A22 | 0.401361 | 0.797753 |
145 | MDE | 0.401015 | 0.935484 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 6c28.bio2) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6c28.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6c28.bio3) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6c28.bio3) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 6c28.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 6c28.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |