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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 391 families. | |||||
1 | 2QO4 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
2 | 2QO6 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
3 | 2QO5 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
4 | 1TW4 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
5 | 2FT9 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
6 | 2FTB | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 298 families. | |||||
1 | 1G74 | Kd = 0.3 uM | OLA | C18 H34 O2 | CCCCCCCCC=.... |
2 | 3FR5 | ic50 = 0.069 uM | I4A | C22 H22 N2 O3 | c1cc(cc(c1.... |
3 | 1LIE | - | PPI | C3 H6 O2 | CCC(=O)O |
4 | 3FR4 | ic50 = 0.049 uM | F8A | C21 H18 F3 N O2 | c1ccc(c(c1.... |
5 | 2HNX | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
6 | 1ADL | Kd = 4.4 uM | ACD | C20 H32 O2 | CCCCCC=C/C.... |
7 | 5EDB | Ki = 0.1 uM | 5M8 | C17 H12 Cl N O2 | Cc1c(c(c2c.... |
8 | 1TOU | ic50 = 1 uM | B1V | C12 H14 F3 N3 O2 S | c1c(nc(nc1.... |
9 | 1LID | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
10 | 1LIF | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
11 | 3JSQ | - | HNE | C9 H16 O2 | CCCCC[C@H].... |
12 | 1TOW | ic50 = 0.57 uM | CRZ | C16 H15 N O2 | c1ccc2c(c1.... |
13 | 5EDC | Ki = 0.022 uM | 5M7 | C21 H19 Cl N2 O2 | c1ccc(cc1).... |
14 | 5HZ8 | Ki = 0.016 uM | 65Z | C21 H18 Cl2 N2 O2 | c1ccc(cc1).... |
15 | 3HK1 | Ki = 0.67 uM | B64 | C14 H11 N O5 S2 | COC(=O)c1c.... |
16 | 1LIC | - | PPI | C3 H6 O2 | CCC(=O)O |
17 | 2NNQ | Ki < 2 nM | T4B | C31 H26 N2 O3 | CCc1c(c(nn.... |
18 | 3FR2 | ic50 = 0.59 uM | 8CA | C20 H19 N O2 | c1ccc(cc1).... |
19 | 2ANS | Kd = 1.2 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
20 | 5HZ6 | Ki = 0.016 uM | 65Y | C22 H22 Cl N O2 | CC(C)c1ccc.... |
21 | 5L8O | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
22 | 5L8N | Kd = 31 uM | 6RQ | C9 H11 N3 | Cc1cc2c(cc.... |
23 | 3WBG | - | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
24 | 5HZ5 | Ki = 0.086 uM | 65X | C21 H19 Cl N6 | c1ccc(cc1).... |
25 | 5UR9 | Ki = 0.9 uM | 8KS | C28 H22 O4 | c1ccc(cc1).... |
26 | 1B56 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
27 | 5D4A | - | 57Q | C17 H15 N O2 | c1ccc(cc1).... |
28 | 5Y0F | Ki = 0.21 uM | 8JO | C18 H14 F N O5 S | COc1ccc(c2.... |
29 | 5D47 | Ki = 0.1 uM | L19 | C26 H24 N2 O3 | COc1cnccc1.... |
30 | 5Y12 | Ki = 0.59 uM | 8JX | C16 H19 N O5 S | COc1ccc(c2.... |
31 | 5D48 | Ki = 0.03 uM | L96 | C28 H31 N3 O3 | Cc1c(c(n[n.... |
32 | 5D45 | Ki = 0.12 uM | 57P | C26 H23 N O2 | c1ccc(cc1).... |
33 | 5Y0X | Ki = 7.75 uM | 8JR | C18 H14 F N O5 S | COc1ccc(c2.... |
34 | 5Y0G | Ki = 0.2 uM | 8JL | C18 H14 F N O5 S | COc1ccc(c2.... |
35 | 5Y13 | Ki = 1.16 uM | 8K0 | C15 H16 Br N O4 S | c1ccc2c(c1.... |
36 | 5URA | Ki = 0.4 uM | 8KS | C28 H22 O4 | c1ccc(cc1).... |
37 | 1FDQ | Kd = 53.4 nM | HXA | C22 H32 O2 | CCC=C/CC=C.... |
38 | 2G78 | - | REA | C20 H28 O2 | CC1=C(C(CC.... |
39 | 2CBS | Ki = 6 nM | R13 | C23 H30 O2 | CC(=C/C(=O.... |
40 | 1CBS | - | REA | C20 H28 O2 | CC1=C(C(CC.... |
41 | 2FR3 | Kd = 2 nM | REA | C20 H28 O2 | CC1=C(C(CC.... |
42 | 3CWK | Kd = 250 nM | REA | C20 H28 O2 | CC1=C(C(CC.... |
43 | 3CBS | Ki = 58 nM | R12 | C20 H24 O3 | Cc1cc(c(c(.... |
44 | 2G79 | Kd = 120 nM | RET | C20 H28 O | CC1=C(C(CC.... |
45 | 2G7B | - | AZE | C20 H30 | CC=C(/C)C=.... |
46 | 1CBQ | - | RE9 | C20 H28 O2 | CC(=C/C(=O.... |
47 | 4TKB | - | DAO | C12 H24 O2 | CCCCCCCCCC.... |
48 | 4TJZ | - | DKA | C10 H20 O2 | CCCCCCCCCC.... |
49 | 1HMT | Kd = 1.64 uM | STE | C18 H36 O2 | CCCCCCCCCC.... |
50 | 4TKJ | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
51 | 5HZ9 | Ki = 0.093 uM | 5M8 | C17 H12 Cl N O2 | Cc1c(c(c2c.... |
52 | 4WBK | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
53 | 3WVM | - | STE | C18 H36 O2 | CCCCCCCCCC.... |
54 | 4TKH | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
55 | 1HMR | Kd = 0.28 uM | ELA | C18 H34 O2 | CCCCCCCCC=.... |
56 | 1HMS | Kd = 0.43 uM | OLA | C18 H34 O2 | CCCCCCCCC=.... |
57 | 2HMB | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
58 | 3VG3 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
59 | 3B2H | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
60 | 3B2K | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
61 | 3VG6 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
62 | 3VG5 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
63 | 3VG7 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
64 | 3STM | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
65 | 3VG2 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
66 | 3B2I | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
67 | 3B2L | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
68 | 3B2J | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
69 | 3VG4 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
70 | 1OPB | Kd = 50 nM | RET | C20 H28 O | CC1=C(C(CC.... |
71 | 2Q9S | - | EIC | C18 H32 O2 | CCCCCC=C/C.... |
72 | 2QM9 | Kd = 17 nM | TDZ | C24 H27 N O5 S | Cc1c(c2c(c.... |
73 | 2QO4 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
74 | 2QO6 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
75 | 2QO5 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
76 | 1TW4 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
77 | 5BVT | - | PAM | C16 H30 O2 | CCCCCCC=C/.... |
78 | 3ELZ | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
79 | 3EM0 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
80 | 4AZQ | - | G2A | C23 H46 O4 | CCCCCCCCCC.... |
81 | 4AZP | Ki = 1.26 uM | A9M | C22 H45 N O2 | CCCCCCCCCC.... |
82 | 5LJG | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
83 | 5LJC | Kd = 65 nM | RTL | C20 H30 O | CC1=C(C(CC.... |
84 | 5HBS | Kd = 18.5 nM | RTL | C20 H30 O | CC1=C(C(CC.... |
85 | 5H8T | Kd = 18.5 nM | RTL | C20 H30 O | CC1=C(C(CC.... |
86 | 5LJE | Kd = 250 nM | RTL | C20 H30 O | CC1=C(C(CC.... |
87 | 5LJD | Kd = 70 nM | RTL | C20 H30 O | CC1=C(C(CC.... |
88 | 5LJB | Kd = 4.5 nM | RTL | C20 H30 O | CC1=C(C(CC.... |
89 | 1CRB | - | RTL | C20 H30 O | CC1=C(C(CC.... |
90 | 5HA1 | Kd = 64.1 nM | RNE | C20 H31 N | CC1=C(C(CC.... |
91 | 4QZU | Kd = 2 nM | RTL | C20 H30 O | CC1=C(C(CC.... |
92 | 4QYN | Kd = 2 nM | RTL | C20 H30 O | CC1=C(C(CC.... |
93 | 2RCT | - | RTL | C20 H30 O | CC1=C(C(CC.... |
94 | 4QZT | Kd = 2 nM | RTL | C20 H30 O | CC1=C(C(CC.... |
95 | 1VYF | Kd = 9 nM | OLA | C18 H34 O2 | CCCCCCCCC=.... |
96 | 1VYG | Kd = 10 nM | ACD | C20 H32 O2 | CCCCCC=C/C.... |
97 | 2FT9 | - | CHD | C24 H40 O5 | C[C@H](CCC.... |
98 | 2FTB | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
99 | 1ICM | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
100 | 1ICN | - | OLA | C18 H34 O2 | CCCCCCCCC=.... |
101 | 2IFB | Ki = 3.6 uM | PLM | C16 H32 O2 | CCCCCCCCCC.... |
102 | 5BVS | - | EIC | C18 H32 O2 | CCCCCC=C/C.... |
103 | 6EW4 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
104 | 2WUT | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
105 | 4BVM | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
106 | 6EW2 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
107 | 4D6B | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
108 | 6EW5 | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
109 | 5N4Q | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
110 | 4D6A | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
111 | 5N4P | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
112 | 5N4M | - | PLM | C16 H32 O2 | CCCCCCCCCC.... |
113 | 1KQW | - | RTL | C20 H30 O | CC1=C(C(CC.... |
This union binding pocket(no: 1) in the query (biounit: 2qo4.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1RV1 | IMZ | None |
2 | 1SGJ | OAA | None |
3 | 1N5S | ADL | None |
4 | 3UUA | 0CZ | None |
5 | 3AQT | RCO | None |
6 | 5DQ8 | FLF | None |
7 | 3W9R | A8S | None |
8 | 5XJD | 87L | None |
9 | 5AMH | EF2 | None |
10 | 4WGF | HX2 | None |
11 | 6BU0 | IHP | None |
12 | 4URG | C2E | None |
13 | 5JSP | DQY | None |
14 | 4JH6 | FCN | None |
15 | 5N8V | KZZ | None |
16 | 4X5S | AZM | None |
17 | 1Y9Q | MED | None |
18 | 4MG9 | 27K | None |
19 | 3KP6 | SAL | 2.38095 |
20 | 4UMJ | BFQ | 2.38095 |
21 | 2RG0 | CBI | 2.38095 |
22 | 3M3E | GAL A2G NPO | 2.38095 |
23 | 2YVE | MBT | 2.38095 |
24 | 2VWA | PTY | 2.9703 |
25 | 3BRN | SRO | 3.1746 |
26 | 5LXB | 7A9 | 3.1746 |
27 | 4G7A | AZM | 3.1746 |
28 | 2V57 | PRL | 3.1746 |
29 | 4COQ | SAN | 3.1746 |
30 | 6CB2 | OLC | 3.96825 |
31 | 1FHW | I5P | 3.96825 |
32 | 2GWH | PCI | 3.96825 |
33 | 3QRC | SCR | 3.96825 |
34 | 3OUM | TOF | 3.96825 |
35 | 4POS | NAG SIA GAL | 3.96825 |
36 | 1Z6K | OAA | 3.96825 |
37 | 4M1U | A2G MBG | 4.7619 |
38 | 4ZU4 | 4TG | 4.7619 |
39 | 5YIF | 8VR | 4.7619 |
40 | 2P7Q | GG6 | 5.55556 |
41 | 5IM3 | DTP | 5.55556 |
42 | 4O4Z | N2O | 5.55556 |
43 | 1ZOY | UQ1 | 5.55556 |
44 | 5KO1 | 6UY | 5.55556 |
45 | 5Y02 | MXN | 5.60748 |
46 | 1Y75 | NAG | 5.9322 |
47 | 1O6U | PLM | 6.34921 |
48 | 5HCA | BGC | 6.34921 |
49 | 3BF8 | MLA | 6.34921 |
50 | 4TR9 | 38D | 6.34921 |
51 | 5UGW | GSH | 6.34921 |
52 | 4CJN | QNZ | 6.34921 |
53 | 6FS8 | E4Z | 6.34921 |
54 | 1B4N | GUA | 6.34921 |
55 | 5C1M | OLC | 6.4 |
56 | 5OCG | 9R5 | 7.14286 |
57 | 4F06 | PHB | 7.14286 |
58 | 6FA4 | D1W | 7.14286 |
59 | 5FPN | KYD | 7.14286 |
60 | 2WMC | MGP | 7.14286 |
61 | 1UMZ | BGC BGC XYS BGC XYS GAL | 7.14286 |
62 | 5EY0 | GTP | 7.14286 |
63 | 2HZL | PYR | 7.14286 |
64 | 1SU2 | ATP | 7.14286 |
65 | 4MBY | BGC SIA GAL | 7.93651 |
66 | 4ZU5 | THM | 7.93651 |
67 | 5J32 | IPM | 8.73016 |
68 | 5EO8 | TFU | 8.73016 |
69 | 3RV5 | DXC | 8.98876 |
70 | 1NKI | PPF | 9.52381 |
71 | 3NB0 | G6P | 9.52381 |
72 | 4IAW | LIZ | 9.52381 |
73 | 3VMG | 9CA | 9.56522 |
74 | 2OVW | CBI | 11.1111 |
75 | 4S00 | AKR | 11.1111 |
76 | 1SDW | IYT | 11.1111 |
77 | 5CKS | GAL | 11.1111 |
78 | 4W9N | TCL | 11.1111 |
79 | 4KIL | 1R5 | 11.1111 |
80 | 4UBS | DIF | 11.9048 |
81 | 4OGQ | 7PH | 11.9048 |
82 | 1Z0N | BCD | 12.5 |
83 | 5W7B | MYR | 12.766 |
84 | 4YEF | 4CQ | 13.4831 |
85 | 5L6G | XYP | 13.4921 |
86 | 5UC9 | MYR | 13.4921 |
87 | 4A7W | GTP | 14.2857 |
88 | 5X7Q | GLC GLC GLC GLC GLC | 15.0794 |
89 | 2AGC | DAO | 15.0794 |
90 | 3FAL | REA | 15.873 |
91 | 1W0O | SIA | 15.873 |
92 | 3HP9 | CF1 | 16.6667 |
93 | 2AXR | ABL | 16.6667 |
94 | 2R09 | 4IP | 16.6667 |
95 | 5XQW | 8EU | 17.4603 |
96 | 1H3F | TYE | 19.0476 |
97 | 2VFT | SOR | 20.6349 |
98 | 4RYV | ZEA | 20.6349 |
99 | 2HZQ | STR | 23.0159 |
100 | 2GGX | NPJ | 23.0159 |
101 | 1Z03 | OCH | 24.6032 |
102 | 4YVN | EBS | 25.3968 |
103 | 1ZPD | CIT | 27.7778 |
104 | 5XNA | SHV | 46.8254 |