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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 41 families. | |||||
1 | 1L2S | Ki = 26 uM | STC | C11 H8 Cl N O4 S2 | c1cc(ccc1N.... |
2 | 4OLD | - | 2UZ | C7 H10 N2 O4 S | C1C=C(NC(S.... |
3 | 4JXW | Ki = 19 uM | 1MW | C15 H15 N O6 S2 | c1cc(ccc1C.... |
4 | 4KZ8 | Ki = 1.6 mM | 1U6 | C8 H12 N2 O2 S | CCN1C(=O)C.... |
5 | 2HDU | Ki = 5 mM | F12 | C7 H7 N O3 S | CC(=O)Nc1c.... |
6 | 1KVL | - | KCP | C14 H16 N2 O5 S2 | CC1=C(N[C@.... |
7 | 1PI5 | Ki = 17 nM | SM2 | C14 H14 B N O5 S | B([C@H](c1.... |
8 | 2R9W | Ki = 8 uM | 23C | C22 H15 N O6 | c1ccc2c(c1.... |
9 | 2PU2 | Ki = 37 uM | DK2 | C18 H13 N O7 | c1cc(ccc1C.... |
10 | 1XGJ | Ki = 1 uM | HTC | C12 H9 N O7 S2 | c1cc(c(cc1.... |
11 | 1PI4 | Ki = 37 nM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
12 | 1XGI | Ki = 14 uM | NST | C11 H8 N2 O6 S2 | c1cc(cc(c1.... |
13 | 3GV9 | Ki = 7.5 mM | GV9 | C7 H7 N O3 S | CC(=O)Nc1c.... |
14 | 1O07 | - | MXG | C24 H36 N6 O9 S | C[C@@H](C(.... |
15 | 3GTC | Ki = 4.5 mM | GTC | C9 H13 N3 O2 S | C1CC[C@H](.... |
16 | 4KZ3 | Ki = 1.7 mM | 1U1 | C5 H4 Cl N O4 S2 | c1c(c(sc1C.... |
17 | 4KZ7 | Ki = 3.2 mM | 1U5 | C10 H14 O4 | C[C@]12CC[.... |
18 | 2HDR | Ki = 19 mM | 4A3 | C7 H7 N O3 | c1cc(c(cc1.... |
19 | 1LL9 | - | AXL | C16 H21 N3 O5 S | CC1([C@@H].... |
20 | 4JXS | Ki = 18 uM | 18U | C13 H11 N O6 S2 | c1cc(ccc1C.... |
21 | 2R9X | Ki = 14 uM | WH6 | C23 H17 N O6 | c1ccc2c(c1.... |
22 | 4KZ4 | Ki = 0.07 mM | 4A1 | C10 H13 N O4 S | CCCS(=O)(=.... |
23 | 6T5Y | ic50 = 7.6 uM | C8V | C13 H23 N5 O7 S | C1C[C@H](C.... |
24 | 4KZB | Ki = 1.3 mM | NZ3 | C10 H13 N O4 S | C[C@H](C(=.... |
25 | 1L0G | - | GLC FRU | n/a | n/a |
26 | 1MY8 | Ki = 0.035 uM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
27 | 2HDS | Ki = 10 mM | 4MB | C8 H9 N O4 S | CS(=O)(=O).... |
28 | 4OKP | - | 2V0 | C8 H12 N2 O4 S | CC1=C(N[C@.... |
29 | 3GRJ | Ki = 1 mM | G14 | C10 H8 N2 O2 | c1ccc(cc1).... |
30 | 4KZ5 | Ki < 10 mM | 1U3 | C13 H11 Cl N2 O4 | Cc1c(c(no1.... |
31 | 3GVB | Ki = 2.6 mM | 3GV | C11 H11 N O4 | c1ccc(c(c1.... |
32 | 4KZ9 | - | 1U7 | C15 H21 N O | c1ccc(cc1).... |
33 | 3GR2 | Ki = 3 mM | GF4 | C7 H10 N6 O | CCC1=C(NN(.... |
34 | 3GSG | Ki = 2 mM | GF1 | C12 H15 N O4 | C[C@@H](C(.... |
35 | 6TPM | ic50 = 6.61 uM | MK7 | C12 H22 N4 O6 S | C1C[C@H](N.... |
36 | 4JXV | Ki = 31 uM | 1MU | C14 H13 N O6 S2 | c1cc(ccc1C.... |
37 | 2HDQ | Ki = 40 mM | C21 | C5 H4 O2 S | c1cc(sc1)C.... |
38 | 4KZ6 | Ki = 0.8 mM | ZB6 | C10 H17 N O3 S | C[C@@H]1CC.... |
39 | 3GQZ | Ki = 6.7 mM | GF7 | C13 H13 N O4 | CC(=O)c1cc.... |
40 | 5JOC | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
41 | 4KZA | Ki = 0.2 mM | NZ9 | C8 H9 N O4 S2 | c1csc(c1S(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 23 families. | |||||
1 | 1L2S | Ki = 26 uM | STC | C11 H8 Cl N O4 S2 | c1cc(ccc1N.... |
2 | 4OLD | - | 2UZ | C7 H10 N2 O4 S | C1C=C(NC(S.... |
3 | 4JXW | Ki = 19 uM | 1MW | C15 H15 N O6 S2 | c1cc(ccc1C.... |
4 | 4KZ8 | Ki = 1.6 mM | 1U6 | C8 H12 N2 O2 S | CCN1C(=O)C.... |
5 | 2HDU | Ki = 5 mM | F12 | C7 H7 N O3 S | CC(=O)Nc1c.... |
6 | 1KVL | - | KCP | C14 H16 N2 O5 S2 | CC1=C(N[C@.... |
7 | 1PI5 | Ki = 17 nM | SM2 | C14 H14 B N O5 S | B([C@H](c1.... |
8 | 2R9W | Ki = 8 uM | 23C | C22 H15 N O6 | c1ccc2c(c1.... |
9 | 2PU2 | Ki = 37 uM | DK2 | C18 H13 N O7 | c1cc(ccc1C.... |
10 | 1XGJ | Ki = 1 uM | HTC | C12 H9 N O7 S2 | c1cc(c(cc1.... |
11 | 1PI4 | Ki = 37 nM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
12 | 1XGI | Ki = 14 uM | NST | C11 H8 N2 O6 S2 | c1cc(cc(c1.... |
13 | 3GV9 | Ki = 7.5 mM | GV9 | C7 H7 N O3 S | CC(=O)Nc1c.... |
14 | 1O07 | - | MXG | C24 H36 N6 O9 S | C[C@@H](C(.... |
15 | 3GTC | Ki = 4.5 mM | GTC | C9 H13 N3 O2 S | C1CC[C@H](.... |
16 | 4KZ3 | Ki = 1.7 mM | 1U1 | C5 H4 Cl N O4 S2 | c1c(c(sc1C.... |
17 | 4KZ7 | Ki = 3.2 mM | 1U5 | C10 H14 O4 | C[C@]12CC[.... |
18 | 2HDR | Ki = 19 mM | 4A3 | C7 H7 N O3 | c1cc(c(cc1.... |
19 | 1LL9 | - | AXL | C16 H21 N3 O5 S | CC1([C@@H].... |
20 | 4JXS | Ki = 18 uM | 18U | C13 H11 N O6 S2 | c1cc(ccc1C.... |
21 | 2R9X | Ki = 14 uM | WH6 | C23 H17 N O6 | c1ccc2c(c1.... |
22 | 4KZ4 | Ki = 0.07 mM | 4A1 | C10 H13 N O4 S | CCCS(=O)(=.... |
23 | 6T5Y | ic50 = 7.6 uM | C8V | C13 H23 N5 O7 S | C1C[C@H](C.... |
24 | 4KZB | Ki = 1.3 mM | NZ3 | C10 H13 N O4 S | C[C@H](C(=.... |
25 | 1L0G | - | GLC FRU | n/a | n/a |
26 | 1MY8 | Ki = 0.035 uM | SM3 | C13 H14 B N O3 S | B([C@H](c1.... |
27 | 2HDS | Ki = 10 mM | 4MB | C8 H9 N O4 S | CS(=O)(=O).... |
28 | 4OKP | - | 2V0 | C8 H12 N2 O4 S | CC1=C(N[C@.... |
29 | 3GRJ | Ki = 1 mM | G14 | C10 H8 N2 O2 | c1ccc(cc1).... |
30 | 4KZ5 | Ki < 10 mM | 1U3 | C13 H11 Cl N2 O4 | Cc1c(c(no1.... |
31 | 3GVB | Ki = 2.6 mM | 3GV | C11 H11 N O4 | c1ccc(c(c1.... |
32 | 4KZ9 | - | 1U7 | C15 H21 N O | c1ccc(cc1).... |
33 | 3GR2 | Ki = 3 mM | GF4 | C7 H10 N6 O | CCC1=C(NN(.... |
34 | 3GSG | Ki = 2 mM | GF1 | C12 H15 N O4 | C[C@@H](C(.... |
35 | 6TPM | ic50 = 6.61 uM | MK7 | C12 H22 N4 O6 S | C1C[C@H](N.... |
36 | 4JXV | Ki = 31 uM | 1MU | C14 H13 N O6 S2 | c1cc(ccc1C.... |
37 | 2HDQ | Ki = 40 mM | C21 | C5 H4 O2 S | c1cc(sc1)C.... |
38 | 4KZ6 | Ki = 0.8 mM | ZB6 | C10 H17 N O3 S | C[C@@H]1CC.... |
39 | 3GQZ | Ki = 6.7 mM | GF7 | C13 H13 N O4 | CC(=O)c1cc.... |
40 | 5JOC | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
41 | 4KZA | Ki = 0.2 mM | NZ9 | C8 H9 N O4 S2 | c1csc(c1S(.... |
42 | 6PWM | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
43 | 6PWL | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
44 | 6KA5 | - | 1S7 | C15 H16 N2 O5 S2 | CO[C@@](C=.... |
45 | 5K1F | Ki = 16.2 uM | IMP | C10 H13 N4 O8 P | c1nc2c(n1[.... |
46 | 5K1D | Ki = 20.8 uM | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | S8A | 0.9030 |
2 | NAG | 0.8991 |
3 | SIZ | 0.8947 |
4 | 9KZ | 0.8931 |
5 | 4RU | 0.8888 |
6 | KMY | 0.8884 |
7 | ZPF | 0.8876 |
8 | GJP | 0.8868 |
9 | ST2 | 0.8862 |
10 | NGA | 0.8845 |
11 | QMR | 0.8817 |
12 | S0G | 0.8806 |
13 | NDG | 0.8800 |
14 | LTM | 0.8788 |
15 | 3N1 | 0.8787 |
16 | A2G | 0.8785 |
17 | 535 | 0.8783 |
18 | 2C2 | 0.8782 |
19 | 0J4 | 0.8782 |
20 | 46M | 0.8779 |
21 | KPQ | 0.8772 |
22 | 3XR | 0.8767 |
23 | S7J | 0.8753 |
24 | 27B | 0.8750 |
25 | 4NP | 0.8745 |
26 | GDL | 0.8740 |
27 | IPD | 0.8738 |
28 | EYV | 0.8732 |
29 | TRP | 0.8728 |
30 | 78U | 0.8728 |
31 | BM3 | 0.8719 |
32 | CEG | 0.8716 |
33 | 2L3 | 0.8708 |
34 | QBP | 0.8697 |
35 | FBF | 0.8697 |
36 | ALX | 0.8695 |
37 | 39U | 0.8691 |
38 | PA5 | 0.8686 |
39 | P4F | 0.8679 |
40 | Z13 | 0.8677 |
41 | DJN | 0.8672 |
42 | CIT | 0.8671 |
43 | PMP | 0.8660 |
44 | 9FL | 0.8656 |
45 | 6FB | 0.8653 |
46 | 2K8 | 0.8652 |
47 | 4I8 | 0.8651 |
48 | 0J5 | 0.8648 |
49 | BGN | 0.8647 |
50 | E01 | 0.8642 |
51 | 3AE | 0.8640 |
52 | OCZ | 0.8633 |
53 | 9BF | 0.8631 |
54 | 36E | 0.8631 |
55 | LR5 | 0.8628 |
56 | BIO | 0.8623 |
57 | F34 | 0.8620 |
58 | AAN | 0.8620 |
59 | KYA | 0.8617 |
60 | 2FX | 0.8615 |
61 | 8VR | 0.8613 |
62 | 12T | 0.8611 |
63 | DNA | 0.8604 |
64 | H5B | 0.8603 |
65 | 54X | 0.8602 |
66 | APS | 0.8597 |
67 | 1WC | 0.8593 |
68 | 54Z | 0.8590 |
69 | 4NS | 0.8590 |
70 | HBO | 0.8589 |
71 | BHQ | 0.8580 |
72 | H4B | 0.8579 |
73 | 3R4 | 0.8578 |
74 | 4I5 | 0.8575 |
75 | 289 | 0.8573 |
76 | CTE | 0.8568 |
77 | N91 | 0.8567 |
78 | 0JD | 0.8565 |
79 | CH9 | 0.8562 |
80 | 68A | 0.8554 |
81 | CTN | 0.8544 |
82 | 3VX | 0.8541 |
83 | ST1 | 0.8540 |
84 | 5VL | 0.8540 |
85 | JVN | 0.8539 |
86 | 657 | 0.8538 |
87 | 091 | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 1pi5.bio2) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1pi5.bio2) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1pi5.bio1) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |