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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 3 families. | |||||
1 | 6OAK | ic50 = 0.4 uM | M0M | C13 H21 N5 O2 S2 | CN1C2=C(C(.... |
2 | 6HML | - | 73L | C23 H28 N6 O4 S2 | Cc1c(sc(n1.... |
3 | 4NA0 | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
4 | 6HMK | - | 7JC | C18 H20 N4 O4 S2 | Cc1ncc(s1).... |
5 | 6OA3 | ic50 = 0.4 uM | M0M | C13 H21 N5 O2 S2 | CN1C2=C(C(.... |
6 | 5A7R | - | AR6 AR6 | n/a | n/a |
7 | 6HH6 | - | A3R | C15 H24 N6 O11 P2 | c1nc(c2c(n.... |
8 | 6OA1 | ic50 = 25.7 uM | M0P | C13 H19 N5 O3 S | CN1c2c([nH.... |
9 | 4N9Z | - | V3L | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
10 | 4NA4 | - | A1R | C15 H24 N6 O12 P2 | c1nc(c2c(n.... |
11 | 6OA0 | - | M1D | C11 H14 N4 O4 | CN1c2c(n(c.... |
12 | 4N9Y | - | V3L | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
13 | 6O9X | ic50 = 0.9 uM | M0S | C13 H19 N5 O S2 | CN1c2c(nc(.... |
14 | 6OAL | ic50 = 25.7 uM | M0P | C13 H19 N5 O3 S | CN1c2c([nH.... |
15 | 6HMM | - | 7JB | C18 H17 N O4 S | CC(C)(C)NS.... |
16 | 6O9Y | - | M0V | C14 H21 N5 O4 | CN1c2c(n(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 6OAK | ic50 = 0.4 uM | M0M | C13 H21 N5 O2 S2 | CN1C2=C(C(.... |
2 | 6HML | - | 73L | C23 H28 N6 O4 S2 | Cc1c(sc(n1.... |
3 | 4NA0 | - | AR6 | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
4 | 6HMK | - | 7JC | C18 H20 N4 O4 S2 | Cc1ncc(s1).... |
5 | 6OA3 | ic50 = 0.4 uM | M0M | C13 H21 N5 O2 S2 | CN1C2=C(C(.... |
6 | 5A7R | - | AR6 AR6 | n/a | n/a |
7 | 6HH6 | - | A3R | C15 H24 N6 O11 P2 | c1nc(c2c(n.... |
8 | 6OA1 | ic50 = 25.7 uM | M0P | C13 H19 N5 O3 S | CN1c2c([nH.... |
9 | 4N9Z | - | V3L | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
10 | 4NA4 | - | A1R | C15 H24 N6 O12 P2 | c1nc(c2c(n.... |
11 | 6OA0 | - | M1D | C11 H14 N4 O4 | CN1c2c(n(c.... |
12 | 4N9Y | - | V3L | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
13 | 6O9X | ic50 = 0.9 uM | M0S | C13 H19 N5 O S2 | CN1c2c(nc(.... |
14 | 6OAL | ic50 = 25.7 uM | M0P | C13 H19 N5 O3 S | CN1c2c([nH.... |
15 | 6HMM | - | 7JB | C18 H17 N O4 S | CC(C)(C)NS.... |
16 | 6O9Y | - | M0V | C14 H21 N5 O4 | CN1c2c(n(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | M0S | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | M0M | 0.9681 |
2 | M0P | 0.9282 |
3 | 0RU | 0.9084 |
4 | 5RW | 0.9039 |
5 | QDR | 0.9011 |
6 | 5RX | 0.8993 |
7 | 5RZ | 0.8985 |
8 | YH1 | 0.8978 |
9 | 9X0 | 0.8967 |
10 | K74 | 0.8949 |
11 | YH6 | 0.8892 |
12 | 5V3 | 0.8865 |
13 | V30 | 0.8847 |
14 | YH4 | 0.8813 |
15 | 5MX | 0.8788 |
16 | 5RU | 0.8775 |
17 | EBB | 0.8772 |
18 | YH3 | 0.8757 |
19 | 7PS | 0.8694 |
20 | M62 | 0.8681 |
21 | 3RC | 0.8674 |
22 | HH7 | 0.8669 |
23 | 67B | 0.8654 |
24 | FYE | 0.8636 |
25 | CMZ | 0.8629 |
26 | PNN | 0.8627 |
27 | BDE | 0.8625 |
28 | JQN | 0.8608 |
29 | OT4 | 0.8595 |
30 | 100 | 0.8592 |
31 | OAQ | 0.8585 |
32 | 4BE | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 6oak.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |