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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 6 families. | |||||
1 | 4X2F | - | 3WJ | C13 H11 N5 O | c1cc(ccc1N.... |
2 | 4X0M | - | 3WA | C7 H6 N4 O | c1nc(c2c(n.... |
3 | 1RW8 | ic50 = 0.175 uM | 580 | C18 H16 F N3 | Cc1cccc(n1.... |
4 | 3GXL | ic50 = 0.025 uM | QIG | C21 H16 N6 | Cc1cccc(n1.... |
5 | 5QIM | - | J2Y | C20 H17 N5 O2 | CC(=O)Nc1c.... |
6 | 5QTZ | ic50 = 0.001 uM | QMY | C18 H15 F2 N5 | Cc1cccc(n1.... |
7 | 2WOT | ic50 = 44 nM | ZZG | C26 H26 N4 O4 | Cc1cc(c(nc.... |
8 | 1VJY | ic50 = 0.023 uM | 460 | C17 H15 N5 | Cc1cccc(n1.... |
9 | 4X2K | - | 3WO | C13 H11 N5 O | c1cc(cc(c1.... |
10 | 4X2G | - | 3WK | C13 H11 N5 O | c1cc(ccc1N.... |
11 | 5QIK | - | J2M | C19 H16 F N5 O2 | CC(=O)Nc1c.... |
12 | 5QIL | - | J2V | C20 H17 N5 O2 | CC(=O)Nc1c.... |
13 | 4X2J | - | 3WN | C13 H11 N5 O | c1cc(cc(c1.... |
14 | 2WOU | ic50 = 72 nM | ZZF | C18 H18 N4 O3 S | Cc1ccc(c(n.... |
15 | 3HMM | ic50 = 0.025 uM | 855 | C19 H15 N5 | Cc1cccc(n1.... |
16 | 5QU0 | ic50 = 0.0016 uM | QMV | C18 H12 Cl F N6 O | c1cc(c(cc1.... |
17 | 3TZM | - | 085 | C22 H16 N4 O3 | c1ccnc(c1).... |
18 | 1PY5 | ic50 = 51 nM | PY1 | C17 H12 N4 | c1ccc2c(c1.... |
19 | 6B8Y | - | D0A | C17 H10 F4 N6 | c1cc(nc(c1.... |
20 | 6GI6 | ic50 = 0.194 uM | EZB | C18 H13 N3 O | Cc1c(ccc2c.... |
21 | 6GIP | ic50 = 0.042 uM | EUN | C19 H15 N3 O | Cc1c(ccc2c.... |
22 | 6JUX | ic50 = 9.4 nM | C9U | C24 H26 N8 | CCn1cc(c(n.... |
23 | 6GIN | ic50 = 0.032 uM | IR2 | C27 H22 N4 O2 | c1ccc2c(c1.... |
24 | 6ACR | ic50 = 0.684 uM | 9TO | C19 H16 N6 O | COc1ccc(cc.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4X2F | - | 3WJ | C13 H11 N5 O | c1cc(ccc1N.... |
2 | 4X0M | - | 3WA | C7 H6 N4 O | c1nc(c2c(n.... |
3 | 1RW8 | ic50 = 0.175 uM | 580 | C18 H16 F N3 | Cc1cccc(n1.... |
4 | 3GXL | ic50 = 0.025 uM | QIG | C21 H16 N6 | Cc1cccc(n1.... |
5 | 5QIM | - | J2Y | C20 H17 N5 O2 | CC(=O)Nc1c.... |
6 | 5QTZ | ic50 = 0.001 uM | QMY | C18 H15 F2 N5 | Cc1cccc(n1.... |
7 | 2WOT | ic50 = 44 nM | ZZG | C26 H26 N4 O4 | Cc1cc(c(nc.... |
8 | 1VJY | ic50 = 0.023 uM | 460 | C17 H15 N5 | Cc1cccc(n1.... |
9 | 4X2K | - | 3WO | C13 H11 N5 O | c1cc(cc(c1.... |
10 | 4X2G | - | 3WK | C13 H11 N5 O | c1cc(ccc1N.... |
11 | 5QIK | - | J2M | C19 H16 F N5 O2 | CC(=O)Nc1c.... |
12 | 5QIL | - | J2V | C20 H17 N5 O2 | CC(=O)Nc1c.... |
13 | 4X2J | - | 3WN | C13 H11 N5 O | c1cc(cc(c1.... |
14 | 2WOU | ic50 = 72 nM | ZZF | C18 H18 N4 O3 S | Cc1ccc(c(n.... |
15 | 3HMM | ic50 = 0.025 uM | 855 | C19 H15 N5 | Cc1cccc(n1.... |
16 | 5QU0 | ic50 = 0.0016 uM | QMV | C18 H12 Cl F N6 O | c1cc(c(cc1.... |
17 | 3TZM | - | 085 | C22 H16 N4 O3 | c1ccnc(c1).... |
18 | 1PY5 | ic50 = 51 nM | PY1 | C17 H12 N4 | c1ccc2c(c1.... |
19 | 6B8Y | - | D0A | C17 H10 F4 N6 | c1cc(nc(c1.... |
20 | 6GI6 | ic50 = 0.194 uM | EZB | C18 H13 N3 O | Cc1c(ccc2c.... |
21 | 6GIP | ic50 = 0.042 uM | EUN | C19 H15 N3 O | Cc1c(ccc2c.... |
22 | 6JUX | ic50 = 9.4 nM | C9U | C24 H26 N8 | CCn1cc(c(n.... |
23 | 6GIN | ic50 = 0.032 uM | IR2 | C27 H22 N4 O2 | c1ccc2c(c1.... |
24 | 6ACR | ic50 = 0.684 uM | 9TO | C19 H16 N6 O | COc1ccc(cc.... |
25 | 2QLU | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
26 | 5QIN | - | J2V | C20 H17 N5 O2 | CC(=O)Nc1c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IR2 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 6jux.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5VC5 | 96M | 3.11419 |
2 | 2XK9 | XK9 | 29.4314 |
3 | 6LUB | EUX | 30.4348 |
4 | 4F4P | 0SB | 32.967 |
5 | 3VRY | B43 | 33.7793 |
6 | 3VRY | B43 | 33.7793 |
7 | 5UIU | 8CG | 35.1171 |
8 | 6X3N | 5WE | 36.5314 |
9 | 6X3N | ULV | 36.5314 |
10 | 2HK5 | 1BM | 37.7778 |
11 | 2H8H | H8H | 42.4749 |
12 | 3IOK | 1P6 | 42.8094 |
13 | 4P5Z | Q7M | 45.485 |
14 | 2BDJ | HET | 45.5197 |
15 | 5NKB | 8ZT | 45.8194 |
16 | 2XVD | AS6 | 46.4883 |