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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 1 families. | |||||
1 | 1L0C | - | COT | C33 H48 N9 O17 P3 S | CC(C)(CO[P.... |
2 | 1KUX | Ki = 340 nM | CA3 | C36 H54 N9 O17 P3 S | CC(C)(CO[P.... |
3 | 1KUV | Ki = 22 nM | CA5 | C33 H47 Br N9 O17 P3 S | CC(C)(CO[P.... |
4 | 1KUY | Ki = 48 nM | COT | C33 H48 N9 O17 P3 S | CC(C)(CO[P.... |
5 | 1CJW | - | COT | C33 H48 N9 O17 P3 S | CC(C)(CO[P.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1L0C | - | COT | C33 H48 N9 O17 P3 S | CC(C)(CO[P.... |
2 | 1KUX | Ki = 340 nM | CA3 | C36 H54 N9 O17 P3 S | CC(C)(CO[P.... |
3 | 1KUV | Ki = 22 nM | CA5 | C33 H47 Br N9 O17 P3 S | CC(C)(CO[P.... |
4 | 1KUY | Ki = 48 nM | COT | C33 H48 N9 O17 P3 S | CC(C)(CO[P.... |
5 | 1CJW | - | COT | C33 H48 N9 O17 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CA3 | 1 | 1 |
2 | COT | 0.879195 | 1 |
3 | 3CP | 0.765101 | 0.977273 |
4 | CA5 | 0.75 | 0.956044 |
5 | SOP | 0.748299 | 0.977273 |
6 | A1S | 0.744966 | 0.977273 |
7 | CMC | 0.731544 | 0.977273 |
8 | ACO | 0.727891 | 0.944444 |
9 | CAO | 0.726027 | 0.944444 |
10 | COS | 0.726027 | 0.955056 |
11 | FYN | 0.718121 | 0.977012 |
12 | 2CP | 0.712418 | 0.966292 |
13 | CIC | 0.711538 | 0.977273 |
14 | CO6 | 0.708609 | 0.955056 |
15 | COF | 0.707792 | 0.955556 |
16 | COW | 0.707792 | 0.966292 |
17 | 0FQ | 0.707006 | 1 |
18 | 3KK | 0.706667 | 0.955056 |
19 | 0T1 | 0.705479 | 0.954545 |
20 | 93P | 0.704142 | 0.988636 |
21 | 2MC | 0.703947 | 0.913979 |
22 | DCA | 0.703448 | 0.932584 |
23 | FAQ | 0.703226 | 0.977273 |
24 | 4CA | 0.703226 | 0.988636 |
25 | AMX | 0.702703 | 0.965517 |
26 | OXK | 0.701987 | 0.955056 |
27 | COK | 0.701987 | 0.955056 |
28 | IVC | 0.699346 | 0.965909 |
29 | BCO | 0.699346 | 0.955056 |
30 | 1VU | 0.697368 | 0.944444 |
31 | BYC | 0.696774 | 0.977273 |
32 | MCA | 0.694805 | 0.944444 |
33 | CAA | 0.694805 | 0.965909 |
34 | COO | 0.694805 | 0.955056 |
35 | COA | 0.693878 | 0.977012 |
36 | UOQ | 0.69375 | 0.955556 |
37 | NHM | 0.69375 | 0.955556 |
38 | NHW | 0.69375 | 0.955556 |
39 | CAJ | 0.69281 | 0.933333 |
40 | 0ET | 0.691824 | 0.955556 |
41 | 30N | 0.691275 | 0.894737 |
42 | SCA | 0.690323 | 0.955056 |
43 | MC4 | 0.690323 | 0.904255 |
44 | HAX | 0.688742 | 0.933333 |
45 | 1HE | 0.688312 | 0.955556 |
46 | 3HC | 0.688312 | 0.965909 |
47 | MLC | 0.688312 | 0.955056 |
48 | HXC | 0.687898 | 0.934066 |
49 | CS8 | 0.6875 | 0.945055 |
50 | CMX | 0.686667 | 0.954545 |
51 | 4CO | 0.685535 | 0.988636 |
52 | NHQ | 0.682927 | 0.988506 |
53 | FCX | 0.682119 | 0.923077 |
54 | 01A | 0.68125 | 0.956044 |
55 | ETB | 0.680272 | 0.9 |
56 | MCD | 0.679739 | 0.933333 |
57 | CA6 | 0.679739 | 0.886598 |
58 | YXR | 0.679487 | 0.867347 |
59 | YXS | 0.679487 | 0.867347 |
60 | CO8 | 0.679245 | 0.934066 |
61 | 2NE | 0.679245 | 0.955556 |
62 | GRA | 0.677215 | 0.955056 |
63 | 1CV | 0.677019 | 0.955056 |
64 | SCO | 0.675497 | 0.954545 |
65 | IRC | 0.675159 | 0.965909 |
66 | 2KQ | 0.675159 | 0.934066 |
67 | HGG | 0.675159 | 0.955056 |
68 | KFV | 0.675159 | 0.876289 |
69 | CA8 | 0.675159 | 0.886598 |
70 | 1GZ | 0.675159 | 0.944444 |
71 | DCC | 0.675 | 0.934066 |
72 | MFK | 0.675 | 0.934066 |
73 | MYA | 0.675 | 0.934066 |
74 | UCC | 0.675 | 0.934066 |
75 | ST9 | 0.675 | 0.934066 |
76 | 5F9 | 0.675 | 0.934066 |
77 | 1HA | 0.674699 | 0.955556 |
78 | TGC | 0.672956 | 0.966292 |
79 | FAM | 0.671053 | 0.933333 |
80 | SCD | 0.670968 | 0.954545 |
81 | BCA | 0.670886 | 0.966292 |
82 | HFQ | 0.668712 | 0.977528 |
83 | NMX | 0.664516 | 0.884211 |
84 | 01K | 0.660714 | 0.977273 |
85 | MRR | 0.658537 | 0.934066 |
86 | MRS | 0.658537 | 0.934066 |
87 | 1CZ | 0.658385 | 0.944444 |
88 | YZS | 0.658065 | 0.867347 |
89 | KGP | 0.658065 | 0.867347 |
90 | WCA | 0.656442 | 0.955556 |
91 | KGJ | 0.656051 | 0.875 |
92 | DAK | 0.654545 | 0.966667 |
93 | YNC | 0.654545 | 0.944444 |
94 | J5H | 0.654545 | 0.977273 |
95 | HDC | 0.652439 | 0.934066 |
96 | RMW | 0.649425 | 0.955556 |
97 | S0N | 0.648148 | 0.955056 |
98 | 4KX | 0.642424 | 0.945055 |
99 | YE1 | 0.641509 | 0.965909 |
100 | LCV | 0.641509 | 0.858586 |
101 | SO5 | 0.641509 | 0.858586 |
102 | 8Z2 | 0.640719 | 0.923913 |
103 | KGA | 0.63354 | 0.865979 |
104 | 93M | 0.627778 | 0.988636 |
105 | F8G | 0.618497 | 0.914894 |
106 | 7L1 | 0.601266 | 0.944444 |
107 | CCQ | 0.598802 | 0.934783 |
108 | UCA | 0.582418 | 0.955556 |
109 | CO7 | 0.581818 | 0.955056 |
110 | COD | 0.577922 | 0.965517 |
111 | OXT | 0.575916 | 0.914894 |
112 | JBT | 0.555556 | 0.895833 |
113 | 5TW | 0.553846 | 0.914894 |
114 | 4BN | 0.553846 | 0.914894 |
115 | N9V | 0.552326 | 0.902174 |
116 | BUA COA | 0.535294 | 0.922222 |
117 | BSJ | 0.533333 | 0.966667 |
118 | 6NA COA | 0.528736 | 0.902174 |
119 | COA FLC | 0.52439 | 0.943182 |
120 | DAO COA | 0.519774 | 0.902174 |
121 | EO3 COA | 0.519774 | 0.902174 |
122 | MYR COA | 0.519774 | 0.902174 |
123 | X90 COA | 0.519774 | 0.902174 |
124 | DCR COA | 0.519774 | 0.902174 |
125 | DKA COA | 0.519774 | 0.902174 |
126 | PLM COA | 0.519774 | 0.902174 |
127 | HMG | 0.508475 | 0.922222 |
128 | ASP ASP ASP ILE NH2 CMC | 0.5 | 0.933333 |
129 | ACE SER ASP ALY THR NH2 COA | 0.470588 | 0.933333 |
130 | MET VAL ASN ALA CMC | 0.46798 | 0.933333 |
131 | PAP | 0.465278 | 0.793103 |
132 | RFC | 0.452128 | 0.955556 |
133 | SFC | 0.452128 | 0.955556 |
134 | ACE MET LEU GLY PRO NH2 COA | 0.439815 | 0.933333 |
135 | TYM | 0.430303 | 0.818182 |
136 | 0WD | 0.429412 | 0.791209 |
137 | PPS | 0.426667 | 0.736842 |
138 | 5AD NJS | 0.426396 | 0.913979 |
139 | A3P | 0.423611 | 0.781609 |
140 | V1N | 0.41358 | 0.784091 |
141 | BV8 | 0.413146 | 0.882979 |
142 | BVT | 0.402778 | 0.893617 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1kuv.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |