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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 | 256 | 0.9331 |
2 | 787 | 0.9252 |
3 | DC5 | 0.9107 |
4 | 1FF | 0.9096 |
5 | XQB | 0.9059 |
6 | T2D | 0.9050 |
7 | M72 | 0.9028 |
8 | RIS | 0.9019 |
9 | 61O | 0.9003 |
10 | 49N | 0.8994 |
11 | BPS | 0.8982 |
12 | ZOL | 0.8971 |
13 | 87L | 0.8955 |
14 | KDO | 0.8950 |
15 | 7Q1 | 0.8950 |
16 | S2T | 0.8947 |
17 | B2Y | 0.8937 |
18 | 791 | 0.8923 |
19 | M4B | 0.8915 |
20 | NCD | 0.8904 |
21 | 60Q | 0.8902 |
22 | CP7 | 0.8891 |
23 | BCK | 0.8877 |
24 | 8WQ | 0.8866 |
25 | LT8 | 0.8861 |
26 | GTC | 0.8859 |
27 | 56D | 0.8852 |
28 | CIT | 0.8839 |
29 | 7QS | 0.8829 |
30 | 7QD | 0.8823 |
31 | F69 | 0.8802 |
32 | 5UK | 0.8801 |
33 | 0GY | 0.8797 |
34 | V6F | 0.8792 |
35 | FLC | 0.8786 |
36 | ICT | 0.8772 |
37 | A9O | 0.8767 |
38 | S3B | 0.8766 |
39 | OBP | 0.8765 |
40 | HS7 | 0.8756 |
41 | 6XI | 0.8751 |
42 | 3YQ | 0.8751 |
43 | KJM | 0.8749 |
44 | 1Z8 | 0.8742 |
45 | AVO | 0.8739 |
46 | NV1 | 0.8726 |
47 | F16 | 0.8724 |
48 | S7B | 0.8718 |
49 | 6W6 | 0.8683 |
50 | KAI | 0.8680 |
51 | CCB | 0.8676 |
52 | ATH | 0.8670 |
53 | AIN | 0.8663 |
54 | ALA LEU | 0.8660 |
55 | 2BQ | 0.8657 |
56 | 2CG | 0.8627 |
57 | 2C0 | 0.8612 |
58 | AOZ | 0.8611 |
59 | K2P | 0.8570 |
60 | 1AL | 0.8554 |
61 | 4WK | 0.8518 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 787 | 0.9413 |
2 | 256 | 0.9260 |
3 | M72 | 0.9205 |
4 | 87L | 0.9123 |
5 | ICT | 0.9057 |
6 | B2Y | 0.8993 |
7 | S2T | 0.8986 |
8 | 7QD | 0.8975 |
9 | 60Q | 0.8957 |
10 | 0UT | 0.8946 |
11 | T2D | 0.8926 |
12 | GTC | 0.8908 |
13 | 791 | 0.8906 |
14 | RIS | 0.8905 |
15 | PRE | 0.8902 |
16 | BPS | 0.8896 |
17 | 1Z8 | 0.8896 |
18 | 5UK | 0.8893 |
19 | BZS | 0.8892 |
20 | KJM | 0.8873 |
21 | ZOL | 0.8865 |
22 | KDO | 0.8861 |
23 | FLC | 0.8812 |
24 | 3YQ | 0.8798 |
25 | CIT | 0.8779 |
26 | MIC | 0.8771 |
27 | 0GY | 0.8767 |
28 | OBP | 0.8754 |
29 | 1FF | 0.8753 |
30 | 2BQ | 0.8750 |
31 | BCK | 0.8735 |
32 | 40H | 0.8734 |
33 | 61O | 0.8734 |
34 | 6XI | 0.8727 |
35 | KAI | 0.8726 |
36 | 49N | 0.8716 |
37 | AVO | 0.8713 |
38 | CCB | 0.8713 |
39 | V6F | 0.8709 |
40 | 40F | 0.8706 |
41 | 8WQ | 0.8704 |
42 | LT8 | 0.8697 |
43 | F16 | 0.8688 |
44 | 1PC | 0.8679 |
45 | NCD | 0.8670 |
46 | 7UZ | 0.8665 |
47 | DY8 | 0.8660 |
48 | 3MF | 0.8659 |
49 | TSA | 0.8655 |
50 | NLG | 0.8654 |
51 | 4WK | 0.8646 |
52 | HCA | 0.8642 |
53 | XX3 | 0.8635 |
54 | AHD | 0.8619 |
55 | 1PL | 0.8615 |
56 | 2CG | 0.8610 |
57 | CE2 | 0.8605 |
58 | 7QS | 0.8594 |
59 | J01 | 0.8593 |
60 | M5E | 0.8587 |
61 | OIA | 0.8575 |
62 | EKN | 0.8571 |
63 | GLY PRO | 0.8565 |
64 | 7Q1 | 0.8562 |
65 | 2B4 | 0.8561 |
66 | KIF | 0.8550 |
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 |