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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 31 families. | |||||
1 | 6H4T | Ki = 0.004 uM | FOW | C25 H26 N6 O | c1ccc2c(c1.... |
2 | 5A7P | - | 6Z1 | C17 H13 N3 O5 | Cc1cc(no1).... |
3 | 5ANQ | ic50 = 3.98 uM | 5YQ | C16 H13 N5 O2 | c1cc(cnc1).... |
4 | 6H4Q | ic50 = 2.06 uM | FO2 | C16 H18 N6 O | CN1CCC(CC1.... |
5 | 2OQ6 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
6 | 2OX0 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
7 | 6H4S | Ki = 0.002 uM | FQE | C27 H33 N7 O | CN(C)CCc1c.... |
8 | 5F3G | ic50 = 0.126 uM | 5UL | C24 H25 Cl N6 O | c1cc(ccc1C.... |
9 | 5A7Q | - | KCH | C12 H10 N2 O3 | c1cc(c(cc1.... |
10 | 6H4P | Ki = 0.003 uM | FQ5 | C23 H23 Cl N6 O | c1cc(cc(c1.... |
11 | 5A7N | - | VAO | C13 H8 N2 O3 | c1cc(c(cc1.... |
12 | 5F3E | ic50 = 0.138 uM | 5UO | C23 H23 Cl N6 O | c1cc(ccc1C.... |
13 | 2GP5 | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
14 | 6H4V | ic50 = 0.613 uM | FQN | C20 H24 N6 O | c1cnc(c2c1.... |
15 | 6H4O | ic50 = 0.128 uM | FQH | C24 H23 F3 N6 O | c1cc(cc(c1.... |
16 | 2OT7 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
17 | 6H4U | - | FO2 | C16 H18 N6 O | CN1CCC(CC1.... |
18 | 5A7S | - | S2X | C14 H12 N2 O4 | CC(=O)Nc1c.... |
19 | 6H4R | Ki = 0.004 nM | FQB | C27 H33 N7 O | CN(C)CCc1c.... |
20 | 4AI9 | - | DZA | C6 H12 N2 O3 | CN(C)NC(=O.... |
21 | 3U4S | Ki = 114 nM | ALA ARG M3L SER CYS GLY GLY LYS 08P | n/a | n/a |
22 | 3PDQ | ic50 = 0.18 uM | KC6 | C14 H14 N4 O3 | c1cnc(cc1C.... |
23 | 5F3C | ic50 = 0.9 uM | 5U8 | C20 H19 F N6 O | CN(CCc1cnn.... |
24 | 5F32 | ic50 = 11.5 uM | 5V7 | C10 H7 N5 O S | c1cnc(c2c1.... |
25 | 4URA | ic50 = 0.00000316 uM | LEL | C8 H6 N4 O2 | c1cnc(cc1C.... |
26 | 5F2S | ic50 = 0.2 uM | 5TZ | C9 H7 N3 O2 S | c1cnc(cc1C.... |
27 | 2YBK | ic50 = 24 uM | 2HG | C5 H8 O5 | C(CC(=O)O).... |
28 | 5TVR | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
29 | 5A80 | - | 9CJ | C21 H18 N2 O5 | COc1cccc(c.... |
30 | 6H4Y | ic50 = 0.077 uM | FO8 | C29 H35 N7 O2 | c1cc(ccc1C.... |
31 | 5A7O | - | 7WH | C15 H14 N2 O5 | COCC(=O)Nc.... |
32 | 6CG1 | - | QC1 | C13 H11 F N2 O2 | c1cc(ccc1C.... |
33 | 5F37 | ic50 = 1.7 uM | N5J | C7 H5 N3 O | c1cncc2c1C.... |
34 | 6H4X | ic50 = 0.131 uM | FNQ | C28 H27 N7 O | c1cc(cnc1).... |
35 | 6CG2 | - | QC2 | C15 H11 N3 O3 | c1cc(cc(c1.... |
36 | 2OQ7 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
37 | 5FPV | - | MMK | C15 H22 N4 O3 | CCN(/C=C/N.... |
38 | 5F3I | ic50 = 0.08 uM | 5UJ | C23 H22 Cl2 N6 O | c1cnc(c2c1.... |
39 | 5KR7 | ic50 = 2.88 uM | 6X9 | C11 H12 N4 O | CCC1=C(Nc2.... |
40 | 4XDO | ic50 = 84 uM | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
41 | 5FP4 | ic50 = 0.251 uM | YC8 | C16 H16 N2 O3 | c1ccc(cc1).... |
42 | 5FP7 | - | YC8 | C16 H16 N2 O3 | c1ccc(cc1).... |
43 | 5F5C | - | 5V3 | C15 H14 N4 O | c1ccc(cc1).... |
44 | 5FP8 | - | AUY | C12 H12 N2 O2 S | Cc1cc(sc1).... |
45 | 5F5A | - | 5V0 | C12 H12 N2 O3 | c1cc(oc1)C.... |
46 | 5FP9 | ic50 = 1.585 uM | 4SV | C6 H6 N2 O2 | c1cncc(c1C.... |
47 | 5FPA | - | N5J | C7 H5 N3 O | c1cncc2c1C.... |
48 | 5FPB | - | HA6 | C10 H7 N5 O2 | c1cncc2c1C.... |
49 | 4HON | - | THR ALA ARG M3L SER THR GLY GLY LYS ALA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 28 families. | |||||
1 | 6H4T | Ki = 0.004 uM | FOW | C25 H26 N6 O | c1ccc2c(c1.... |
2 | 5A7P | - | 6Z1 | C17 H13 N3 O5 | Cc1cc(no1).... |
3 | 5ANQ | ic50 = 3.98 uM | 5YQ | C16 H13 N5 O2 | c1cc(cnc1).... |
4 | 6H4Q | ic50 = 2.06 uM | FO2 | C16 H18 N6 O | CN1CCC(CC1.... |
5 | 2OQ6 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
6 | 2OX0 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
7 | 6H4S | Ki = 0.002 uM | FQE | C27 H33 N7 O | CN(C)CCc1c.... |
8 | 5F3G | ic50 = 0.126 uM | 5UL | C24 H25 Cl N6 O | c1cc(ccc1C.... |
9 | 5A7Q | - | KCH | C12 H10 N2 O3 | c1cc(c(cc1.... |
10 | 6H4P | Ki = 0.003 uM | FQ5 | C23 H23 Cl N6 O | c1cc(cc(c1.... |
11 | 5A7N | - | VAO | C13 H8 N2 O3 | c1cc(c(cc1.... |
12 | 5F3E | ic50 = 0.138 uM | 5UO | C23 H23 Cl N6 O | c1cc(ccc1C.... |
13 | 2GP5 | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
14 | 6H4V | ic50 = 0.613 uM | FQN | C20 H24 N6 O | c1cnc(c2c1.... |
15 | 6H4O | ic50 = 0.128 uM | FQH | C24 H23 F3 N6 O | c1cc(cc(c1.... |
16 | 2OT7 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
17 | 6H4U | - | FO2 | C16 H18 N6 O | CN1CCC(CC1.... |
18 | 5A7S | - | S2X | C14 H12 N2 O4 | CC(=O)Nc1c.... |
19 | 6H4R | Ki = 0.004 nM | FQB | C27 H33 N7 O | CN(C)CCc1c.... |
20 | 4AI9 | - | DZA | C6 H12 N2 O3 | CN(C)NC(=O.... |
21 | 3U4S | Ki = 114 nM | ALA ARG M3L SER CYS GLY GLY LYS 08P | n/a | n/a |
22 | 3PDQ | ic50 = 0.18 uM | KC6 | C14 H14 N4 O3 | c1cnc(cc1C.... |
23 | 5F3C | ic50 = 0.9 uM | 5U8 | C20 H19 F N6 O | CN(CCc1cnn.... |
24 | 5F32 | ic50 = 11.5 uM | 5V7 | C10 H7 N5 O S | c1cnc(c2c1.... |
25 | 4URA | ic50 = 0.00000316 uM | LEL | C8 H6 N4 O2 | c1cnc(cc1C.... |
26 | 5F2S | ic50 = 0.2 uM | 5TZ | C9 H7 N3 O2 S | c1cnc(cc1C.... |
27 | 2YBK | ic50 = 24 uM | 2HG | C5 H8 O5 | C(CC(=O)O).... |
28 | 5TVR | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
29 | 5A80 | - | 9CJ | C21 H18 N2 O5 | COc1cccc(c.... |
30 | 6H4Y | ic50 = 0.077 uM | FO8 | C29 H35 N7 O2 | c1cc(ccc1C.... |
31 | 5A7O | - | 7WH | C15 H14 N2 O5 | COCC(=O)Nc.... |
32 | 6CG1 | - | QC1 | C13 H11 F N2 O2 | c1cc(ccc1C.... |
33 | 5F37 | ic50 = 1.7 uM | N5J | C7 H5 N3 O | c1cncc2c1C.... |
34 | 6H4X | ic50 = 0.131 uM | FNQ | C28 H27 N7 O | c1cc(cnc1).... |
35 | 6CG2 | - | QC2 | C15 H11 N3 O3 | c1cc(cc(c1.... |
36 | 2OQ7 | - | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
37 | 5FPV | - | MMK | C15 H22 N4 O3 | CCN(/C=C/N.... |
38 | 5F3I | ic50 = 0.08 uM | 5UJ | C23 H22 Cl2 N6 O | c1cnc(c2c1.... |
39 | 3OPT | - | AKG | C5 H6 O5 | C(CC(=O)O).... |
40 | 5KR7 | ic50 = 2.88 uM | 6X9 | C11 H12 N4 O | CCC1=C(Nc2.... |
41 | 4XDO | ic50 = 84 uM | OGA | C4 H5 N O5 | C(C(=O)O)N.... |
42 | 5FP4 | ic50 = 0.251 uM | YC8 | C16 H16 N2 O3 | c1ccc(cc1).... |
43 | 5FP7 | - | YC8 | C16 H16 N2 O3 | c1ccc(cc1).... |
44 | 5F5C | - | 5V3 | C15 H14 N4 O | c1ccc(cc1).... |
45 | 5FP8 | - | AUY | C12 H12 N2 O2 S | Cc1cc(sc1).... |
46 | 5F5A | - | 5V0 | C12 H12 N2 O3 | c1cc(oc1)C.... |
47 | 5FP9 | ic50 = 1.585 uM | 4SV | C6 H6 N2 O2 | c1cncc(c1C.... |
48 | 5FPA | - | N5J | C7 H5 N3 O | c1cncc2c1C.... |
49 | 5FPB | - | HA6 | C10 H7 N5 O2 | c1cncc2c1C.... |
50 | 4HON | - | THR ALA ARG M3L SER THR GLY GLY LYS ALA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 5V3 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 0RU | 0.9253 |
2 | 9RK | 0.9207 |
3 | 87F | 0.9181 |
4 | 4KN | 0.9163 |
5 | 8WW | 0.9143 |
6 | KWK | 0.9138 |
7 | SCE | 0.9136 |
8 | MF5 | 0.9113 |
9 | EBB | 0.9111 |
10 | 5V0 | 0.9107 |
11 | PV1 | 0.9094 |
12 | BBO | 0.9063 |
13 | HN3 | 0.9058 |
14 | JXB | 0.9052 |
15 | 4P9 | 0.9042 |
16 | 0QX | 0.9041 |
17 | 5HG | 0.9034 |
18 | X8W | 0.9026 |
19 | 4YE | 0.9009 |
20 | M0V | 0.9008 |
21 | 5RW | 0.9005 |
22 | 00G | 0.9005 |
23 | M00 | 0.9001 |
24 | G27 | 0.8998 |
25 | 100 | 0.8997 |
26 | 873 | 0.8997 |
27 | 41L | 0.8981 |
28 | G50 | 0.8978 |
29 | JYQ | 0.8974 |
30 | KTV | 0.8970 |
31 | QDR | 0.8963 |
32 | HN2 | 0.8959 |
33 | 4YF | 0.8943 |
34 | PNX | 0.8939 |
35 | L81 | 0.8931 |
36 | INI | 0.8907 |
37 | 1UA | 0.8895 |
38 | FIP | 0.8894 |
39 | IGP | 0.8891 |
40 | 2BI | 0.8883 |
41 | IPL | 0.8882 |
42 | 5EZ | 0.8869 |
43 | QUG | 0.8866 |
44 | 7NC | 0.8866 |
45 | M0S | 0.8865 |
46 | 21X | 0.8849 |
47 | X2L | 0.8847 |
48 | ON1 | 0.8841 |
49 | QEI | 0.8838 |
50 | F0C | 0.8829 |
51 | ALJ | 0.8820 |
52 | M0M | 0.8814 |
53 | BFS | 0.8809 |
54 | 2DT | 0.8800 |
55 | 3G3 | 0.8796 |
56 | OA5 | 0.8789 |
57 | IAG | 0.8783 |
58 | F91 | 0.8772 |
59 | BXB | 0.8771 |
60 | JCQ | 0.8769 |
61 | YC8 | 0.8762 |
62 | AX8 | 0.8762 |
63 | P1Y | 0.8748 |
64 | 9D9 | 0.8742 |
65 | WDU | 0.8742 |
66 | TRP GLY | 0.8735 |
67 | GYZ | 0.8730 |
68 | 4JV | 0.8722 |
69 | HA1 | 0.8717 |
70 | GU7 | 0.8712 |
71 | JYE | 0.8710 |
72 | PV2 | 0.8709 |
73 | HFS | 0.8694 |
74 | F6W | 0.8688 |
75 | FR2 | 0.8682 |
76 | JWW | 0.8678 |
77 | M62 | 0.8661 |
78 | 8MF | 0.8658 |
79 | UN4 | 0.8657 |
80 | 9ME | 0.8630 |
81 | KVQ | 0.8629 |
82 | KSY | 0.8624 |
83 | TCW | 0.8621 |
84 | 7BH | 0.8616 |
85 | A0R | 0.8609 |
86 | CMG | 0.8592 |
87 | LI4 | 0.8591 |
88 | 9MK | 0.8573 |
89 | TMP | 0.8550 |
90 | LFK | 0.8544 |
91 | M1D | 0.8535 |
92 | RNB | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 5fp4.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6IP0 | AKG | 43.7126 |
This union binding pocket(no: 2) in the query (biounit: 5fp4.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |