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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 | 4PTE | ic50 = 74 nM | 2WF | C18 H15 N3 O | c1cc(cc2c1.... |
2 | 1PYX | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
3 | 1Q5K | Ki = 38 nM | TMU | C12 H12 N4 O4 S | COc1ccc(cc.... |
4 | 3I4B | Ki = 7 nM | Z48 | C24 H23 N5 O2 | Cc1cnc(nc1.... |
5 | 1Q3D | ic50 = 15 nM | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
6 | 1J1B | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
7 | 1Q3W | ic50 = 4 nM | ATU | C16 H11 N3 O3 | c1ccc2c(c1.... |
8 | 5KPK | ic50 = 0.005 uM | 6VK | C22 H25 N3 O | C[C@@]1(c2.... |
9 | 1R0E | - | DFN | C22 H20 F N3 O4 | Cn1cc(c2c1.... |
10 | 4PTG | ic50 = 5.9 nM | 2WG | C15 H15 N5 O3 | COc1c(cnc(.... |
11 | 2JLD | ic50 < 0.04 nM | AG1 | C27 H17 F N4 O7 Ru | C[C@@H](C(.... |
12 | 4ACC | Ki = 20 nM | 7YG | C20 H23 N7 O3 S | CN(C)CCNS(.... |
13 | 6TCU | ic50 = 0.018 uM | N1Q | C23 H26 F2 N4 O2 | COCCN1CCC(.... |
14 | 3DU8 | ic50 = 0.146 uM | 553 | C13 H14 F N5 O | c1cnc(nc1c.... |
15 | 6AE3 | Kd = 0.0000666 M | MRI | C15 H10 O7 | c1cc(c(cc1.... |
16 | 1J1C | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
17 | 6V6L | ic50 = 8 nM | QQA | C23 H25 Cl2 N8 O3 | CN1CCN(C(=.... |
18 | 6HK3 | Kd = 31.4 nM | G8B | C23 H26 N6 O4 S | CN1CCN(CC1.... |
19 | 5HLP | ic50 = 0.054 uM | 65A | C20 H21 N3 O2 | Cc1c2c(c3c.... |
20 | 6Y9S | ic50 = 0.072 uM | OHK | C22 H26 N4 O3 | CC(C)Oc1cc.... |
21 | 5K5N | ic50 = 9 nM | 6QH | C16 H16 Cl N5 O3 | COc1ccc(cc.... |
22 | 6HK4 | Kd = 2.81 nM | G8E | C20 H20 N6 O4 S | c1cc(cnc1).... |
23 | 1Q41 | ic50 = 22 nM | IXM | C16 H11 N3 O2 | c1ccc2c(c1.... |
24 | 6Y9R | ic50 = 0.009 uM | OH8 | C25 H33 N5 O3 | CC(C)Oc1cc.... |
25 | 3F7Z | ic50 = 65 nM | 34O | C17 H13 F N2 O4 S | COc1ccc(cc.... |
26 | 3GB2 | ic50 = 34 nM | G3B | C18 H14 N2 O3 S | Cc1nnc(o1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4PTE | ic50 = 74 nM | 2WF | C18 H15 N3 O | c1cc(cc2c1.... |
2 | 1PYX | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
3 | 1Q5K | Ki = 38 nM | TMU | C12 H12 N4 O4 S | COc1ccc(cc.... |
4 | 3I4B | Ki = 7 nM | Z48 | C24 H23 N5 O2 | Cc1cnc(nc1.... |
5 | 1Q3D | ic50 = 15 nM | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
6 | 1J1B | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
7 | 1Q3W | ic50 = 4 nM | ATU | C16 H11 N3 O3 | c1ccc2c(c1.... |
8 | 5KPK | ic50 = 0.005 uM | 6VK | C22 H25 N3 O | C[C@@]1(c2.... |
9 | 1R0E | - | DFN | C22 H20 F N3 O4 | Cn1cc(c2c1.... |
10 | 4PTG | ic50 = 5.9 nM | 2WG | C15 H15 N5 O3 | COc1c(cnc(.... |
11 | 2JLD | ic50 < 0.04 nM | AG1 | C27 H17 F N4 O7 Ru | C[C@@H](C(.... |
12 | 4ACC | Ki = 20 nM | 7YG | C20 H23 N7 O3 S | CN(C)CCNS(.... |
13 | 6TCU | ic50 = 0.018 uM | N1Q | C23 H26 F2 N4 O2 | COCCN1CCC(.... |
14 | 3DU8 | ic50 = 0.146 uM | 553 | C13 H14 F N5 O | c1cnc(nc1c.... |
15 | 6AE3 | Kd = 0.0000666 M | MRI | C15 H10 O7 | c1cc(c(cc1.... |
16 | 1J1C | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
17 | 6V6L | ic50 = 8 nM | QQA | C23 H25 Cl2 N8 O3 | CN1CCN(C(=.... |
18 | 6HK3 | Kd = 31.4 nM | G8B | C23 H26 N6 O4 S | CN1CCN(CC1.... |
19 | 5HLP | ic50 = 0.054 uM | 65A | C20 H21 N3 O2 | Cc1c2c(c3c.... |
20 | 6Y9S | ic50 = 0.072 uM | OHK | C22 H26 N4 O3 | CC(C)Oc1cc.... |
21 | 5K5N | ic50 = 9 nM | 6QH | C16 H16 Cl N5 O3 | COc1ccc(cc.... |
22 | 6HK4 | Kd = 2.81 nM | G8E | C20 H20 N6 O4 S | c1cc(cnc1).... |
23 | 1Q41 | ic50 = 22 nM | IXM | C16 H11 N3 O2 | c1ccc2c(c1.... |
24 | 6Y9R | ic50 = 0.009 uM | OH8 | C25 H33 N5 O3 | CC(C)Oc1cc.... |
25 | 3F7Z | ic50 = 65 nM | 34O | C17 H13 F N2 O4 S | COc1ccc(cc.... |
26 | 3GB2 | ic50 = 34 nM | G3B | C18 H14 N2 O3 S | Cc1nnc(o1).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 34O | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 7IP | 0.8575 |
This union binding pocket(no: 1) in the query (biounit: 6y9r.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6JKM | ADP | 21.7009 |
2 | 4DC2 | ADE | 29.1429 |
3 | 4Y8D | 49J | 31.1765 |
4 | 3V8S | 0HD | 32.5714 |
5 | 3V8S | 0HD | 32.5714 |
6 | 3KN5 | ANP | 33.2308 |
7 | 3KN5 | ANP | 33.2308 |
8 | 6QF4 | ADP | 33.3333 |
9 | 6P5S | 3NG | 36 |
10 | 2A19 | ANP | 36.6197 |
11 | 6PJX | SGV | 37.7143 |
12 | 2V7O | DRN | 40.7738 |
13 | 4WNP | 3RJ | 41.8118 |
14 | 2VN9 | GVD | 41.8605 |
15 | 2VN9 | GVD | 41.8605 |
16 | 6QAV | HVH | 42.5 |
17 | 3SRV | S19 | 43.3213 |
18 | 3SRV | S19 | 43.3213 |
19 | 5Y86 | HRM | 44 |
20 | 3PTG | 932 | 44.5714 |
21 | 5H8E | 5Y3 | 45.3453 |
22 | 4IZY | 1J2 | 45.4286 |
23 | 3GC0 | AMP | 46.5046 |
24 | 4AUA | 4AU | 48.5342 |
25 | 3HMO | STU | 48.6381 |
26 | 3HMO | STU | 48.6381 |