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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 | 3AI7 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
2 | 3AHE | - | THD | C14 H22 N4 O9 P2 S | Cc1ncc(c(n.... |
3 | 3AHG | - | HTD | C12 H18 N4 O7 P2 S | Cc1ncc2c(n.... |
4 | 3AHJ | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
5 | 3AHC | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
6 | 3AHI | - | HTL | C14 H21 N4 O8 P2 S | Cc1c(sc([n.... |
7 | 3AHF | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
8 | 3AHH | - | HTL | C14 H21 N4 O8 P2 S | Cc1c(sc([n.... |
9 | 3AHD | - | HTL | C14 H21 N4 O8 P2 S | Cc1c(sc([n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3AI7 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
2 | 3AHE | - | THD | C14 H22 N4 O9 P2 S | Cc1ncc(c(n.... |
3 | 3AHG | - | HTD | C12 H18 N4 O7 P2 S | Cc1ncc2c(n.... |
4 | 3AHJ | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
5 | 3AHC | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
6 | 3AHI | - | HTL | C14 H21 N4 O8 P2 S | Cc1c(sc([n.... |
7 | 3AHF | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
8 | 3AHH | - | HTL | C14 H21 N4 O8 P2 S | Cc1c(sc([n.... |
9 | 3AHD | - | HTL | C14 H21 N4 O8 P2 S | Cc1c(sc([n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HTL | 1 | 1 |
2 | 5SR | 0.709302 | 0.959459 |
3 | TDW | 0.659091 | 0.986301 |
4 | TDL | 0.652174 | 0.935897 |
5 | TOG | 0.638298 | 0.960526 |
6 | THV | 0.637363 | 0.972973 |
7 | WWF | 0.630435 | 0.947368 |
8 | AUJ | 0.630435 | 0.935065 |
9 | TD6 | 0.625 | 0.960526 |
10 | THY | 0.623656 | 0.96 |
11 | THW | 0.614583 | 0.972973 |
12 | TD9 | 0.612245 | 0.960526 |
13 | TD8 | 0.612245 | 0.960526 |
14 | TDK | 0.610526 | 0.935065 |
15 | T5X | 0.567308 | 0.911392 |
16 | D7K | 0.567308 | 0.923077 |
17 | T6F | 0.567308 | 0.911392 |
18 | TPP | 0.566667 | 0.958904 |
19 | O2T | 0.561224 | 0.948052 |
20 | 8PA | 0.560748 | 0.96 |
21 | V4E | 0.526316 | 0.958904 |
22 | TPW | 0.516484 | 0.863014 |
23 | PYI | 0.516129 | 0.851351 |
24 | S1T | 0.479592 | 0.876712 |
25 | R1T | 0.479592 | 0.876712 |
26 | TDP | 0.474227 | 0.945205 |
27 | TPU | 0.473118 | 0.810127 |
28 | 1U0 | 0.465347 | 0.831169 |
29 | 8EO | 0.44898 | 0.884615 |
30 | NDQ | 0.444444 | 0.875 |
31 | TPS | 0.44086 | 0.917808 |
32 | TDM | 0.435644 | 0.909091 |
33 | 2TP | 0.43 | 0.921053 |
34 | TMV | 0.43 | 0.92 |
35 | TZD | 0.428571 | 0.873418 |
36 | 8FL | 0.42 | 0.860759 |
37 | 8EL | 0.42 | 0.860759 |
38 | G8G | 0.418367 | 0.797468 |
39 | TDP DX5 | 0.413793 | 0.886076 |
40 | TDN | 0.409524 | 0.886076 |
41 | 8N9 | 0.40566 | 0.853659 |
42 | THD | 0.40566 | 0.853659 |
43 | TD7 | 0.4 | 0.8875 |
44 | 1Y7 TDP | 0.4 | 0.886076 |
This union binding pocket(no: 1) in the query (biounit: 3ahc.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1ITZ | TPP | 7.85185 |
This union binding pocket(no: 2) in the query (biounit: 3ahc.bio1) has 31 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |