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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 | CA5 | 1 | 1 |
2 | COT | 0.850649 | 0.956044 |
3 | CA3 | 0.75 | 0.956044 |
4 | SOP | 0.746667 | 0.934783 |
5 | CMC | 0.741722 | 0.934783 |
6 | COF | 0.717949 | 0.956522 |
7 | 4CO | 0.70625 | 0.945652 |
8 | ACO | 0.703947 | 0.904255 |
9 | NHQ | 0.70303 | 0.945055 |
10 | COS | 0.701987 | 0.913979 |
11 | CAO | 0.701987 | 0.904255 |
12 | 01A | 0.701863 | 0.978261 |
13 | 01K | 0.700599 | 0.934783 |
14 | A1S | 0.698718 | 0.934783 |
15 | 0FQ | 0.695652 | 0.956044 |
16 | FYN | 0.694805 | 0.934066 |
17 | 4CA | 0.691824 | 0.945652 |
18 | 2CP | 0.689873 | 0.924731 |
19 | IVC | 0.687898 | 0.923913 |
20 | BCO | 0.687898 | 0.913979 |
21 | 1VU | 0.685897 | 0.904255 |
22 | CO6 | 0.685897 | 0.913979 |
23 | 3CP | 0.685535 | 0.934783 |
24 | 3KK | 0.683871 | 0.913979 |
25 | CAA | 0.683544 | 0.923913 |
26 | TGC | 0.68323 | 0.924731 |
27 | NHW | 0.682927 | 0.914894 |
28 | NHM | 0.682927 | 0.914894 |
29 | UOQ | 0.682927 | 0.914894 |
30 | FAQ | 0.68125 | 0.934783 |
31 | OXK | 0.679487 | 0.913979 |
32 | COK | 0.679487 | 0.913979 |
33 | SCA | 0.679245 | 0.913979 |
34 | MC4 | 0.679245 | 0.867347 |
35 | CIC | 0.679012 | 0.934783 |
36 | HFQ | 0.678788 | 0.935484 |
37 | MLC | 0.677215 | 0.913979 |
38 | 1HE | 0.677215 | 0.914894 |
39 | 3HC | 0.677215 | 0.923913 |
40 | 2KQ | 0.675 | 0.894737 |
41 | 93M | 0.674157 | 0.945652 |
42 | MCA | 0.672956 | 0.904255 |
43 | COA | 0.671053 | 0.934066 |
44 | 0T1 | 0.671053 | 0.913043 |
45 | 2MC | 0.670886 | 0.876289 |
46 | ETB | 0.668874 | 0.861702 |
47 | DCA | 0.668874 | 0.892473 |
48 | 30N | 0.668831 | 0.858586 |
49 | CO8 | 0.668712 | 0.894737 |
50 | CS8 | 0.666667 | 0.905263 |
51 | HXC | 0.666667 | 0.894737 |
52 | GRA | 0.666667 | 0.913979 |
53 | MFK | 0.664634 | 0.894737 |
54 | DCC | 0.664634 | 0.894737 |
55 | UCC | 0.664634 | 0.894737 |
56 | MYA | 0.664634 | 0.894737 |
57 | ST9 | 0.664634 | 0.894737 |
58 | 5F9 | 0.664634 | 0.894737 |
59 | HGG | 0.664596 | 0.913979 |
60 | COO | 0.6625 | 0.913979 |
61 | 0ET | 0.660606 | 0.914894 |
62 | FCX | 0.660256 | 0.924731 |
63 | YXR | 0.658385 | 0.833333 |
64 | YXS | 0.658385 | 0.833333 |
65 | AMX | 0.658065 | 0.923077 |
66 | KFV | 0.654321 | 0.841584 |
67 | COW | 0.654321 | 0.924731 |
68 | BYC | 0.654321 | 0.934783 |
69 | IRC | 0.654321 | 0.923913 |
70 | 1GZ | 0.654321 | 0.904255 |
71 | SCO | 0.653846 | 0.913043 |
72 | CMX | 0.653846 | 0.913043 |
73 | BCA | 0.650307 | 0.924731 |
74 | FAM | 0.649682 | 0.934783 |
75 | 1CZ | 0.648485 | 0.904255 |
76 | 2NE | 0.648485 | 0.914894 |
77 | CA6 | 0.647799 | 0.851485 |
78 | MCD | 0.647799 | 0.893617 |
79 | 1CV | 0.646707 | 0.913979 |
80 | HAX | 0.64557 | 0.893617 |
81 | YNC | 0.64497 | 0.904255 |
82 | SCD | 0.639752 | 0.913043 |
83 | YZS | 0.6375 | 0.833333 |
84 | KGP | 0.6375 | 0.833333 |
85 | WCA | 0.636905 | 0.914894 |
86 | 93P | 0.636872 | 0.945652 |
87 | KGJ | 0.635802 | 0.84 |
88 | NMX | 0.63354 | 0.848485 |
89 | HDC | 0.633136 | 0.894737 |
90 | SO5 | 0.631902 | 0.825243 |
91 | LCV | 0.631902 | 0.825243 |
92 | YE1 | 0.631902 | 0.923913 |
93 | CAJ | 0.62963 | 0.893617 |
94 | DAK | 0.625731 | 0.925532 |
95 | CA8 | 0.624242 | 0.851485 |
96 | KGA | 0.624242 | 0.831683 |
97 | 4KX | 0.623529 | 0.905263 |
98 | MRR | 0.619883 | 0.894737 |
99 | MRS | 0.619883 | 0.894737 |
100 | S0N | 0.619048 | 0.913979 |
101 | J5H | 0.616279 | 0.934783 |
102 | 8Z2 | 0.612717 | 0.885417 |
103 | 1HA | 0.607955 | 0.914894 |
104 | F8G | 0.601124 | 0.877551 |
105 | CCQ | 0.6 | 0.895833 |
106 | RMW | 0.595628 | 0.914894 |
107 | 7L1 | 0.582822 | 0.904255 |
108 | UCA | 0.575269 | 0.914894 |
109 | OXT | 0.569231 | 0.877551 |
110 | COD | 0.559748 | 0.923077 |
111 | CO7 | 0.555556 | 0.913979 |
112 | N9V | 0.554286 | 0.864583 |
113 | 5TW | 0.54 | 0.877551 |
114 | 4BN | 0.54 | 0.877551 |
115 | BUA COA | 0.528736 | 0.882979 |
116 | JBT | 0.526829 | 0.86 |
117 | ASP ASP ASP ILE NH2 CMC | 0.526316 | 0.893617 |
118 | BSJ | 0.52 | 0.925532 |
119 | 6NA COA | 0.513967 | 0.864583 |
120 | DCR COA | 0.513812 | 0.864583 |
121 | PLM COA | 0.513812 | 0.864583 |
122 | DAO COA | 0.513812 | 0.864583 |
123 | EO3 COA | 0.513812 | 0.864583 |
124 | X90 COA | 0.513812 | 0.864583 |
125 | DKA COA | 0.513812 | 0.864583 |
126 | MYR COA | 0.513812 | 0.864583 |
127 | COA FLC | 0.508876 | 0.902174 |
128 | HMG | 0.502762 | 0.882979 |
129 | ACE SER ASP ALY THR NH2 COA | 0.502463 | 0.893617 |
130 | MET VAL ASN ALA CMC | 0.485294 | 0.893617 |
131 | ACE MET LEU GLY PRO NH2 COA | 0.456221 | 0.893617 |
132 | PAP | 0.449664 | 0.758242 |
133 | RFC | 0.440415 | 0.914894 |
134 | SFC | 0.440415 | 0.914894 |
135 | 0WD | 0.417143 | 0.757895 |
136 | PPS | 0.412903 | 0.707071 |
137 | A3P | 0.409396 | 0.747253 |
138 | 5AD NJS | 0.401961 | 0.876289 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 1kuv.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |