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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 266 families. | |||||
1 | 1G2N | - | EPH | C39 H68 N O8 P | CCCC=CCC=C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 3ERT | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
2 | 6WOK | ic50 = 1.6 nM | U6D | C28 H33 F4 N3 O | C[C@@H]1Cc.... |
3 | 1YIM | ic50 = 1.5 nM | CM4 | C28 H31 N O4 | C[C@@H]1c2.... |
4 | 6DF6 | ic50 = 0.059 uM | G8Y | C29 H28 F N O5 | c1cc(ccc1[.... |
5 | 5W9C | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
6 | 1XP6 | ic50 = 0.4 nM | AIU | C28 H31 N O4 S | C[C@@H]1CN.... |
7 | 5FQT | ic50 = 160 nM | 7QN | C23 H27 N O3 | Cc1c(ccc2c.... |
8 | 4IW6 | - | 1GU | C18 H15 F3 N2 O2 | C=CCCn1c(c.... |
9 | 5FQV | ic50 = 610 nM | VQI | C23 H27 N O3 | Cc1cc2c(cc.... |
10 | 4IW8 | - | KN3 | C19 H17 F3 N2 O2 | CC(=CCn1c2.... |
11 | 5FQR | ic50 = 26 nM | QHG | C22 H25 N O3 | CC(C)CN1CC.... |
12 | 6SBO | - | L5B | C31 H30 Cl2 F N O3 | c1cc(ccc1C.... |
13 | 2IOG | ic50 = 8 nM | IOG | C33 H39 N3 O3 | C[C@H](CCc.... |
14 | 1GWQ | Kd = 76 nM | LYS ILE LEU HIS ARG LEU LEU GLN ASP | n/a | n/a |
15 | 6DFN | ic50 = 0.055 uM | G91 | C29 H28 F N O5 | c1cc(ccc1[.... |
16 | 4IVW | - | 1GJ | C21 H15 F3 N2 O2 | c1ccc(cc1).... |
17 | 5U2B | - | 6WV | C24 H29 N O | C[C@]12CC[.... |
18 | 4IUI | - | 1GQ | C18 H17 F3 N2 O2 | CCCCn1c2c(.... |
19 | 1XQC | ic50 = 63 nM | AEJ | C29 H33 N3 O | c1ccc(cc1).... |
20 | 1UOM | ic50 = 19 nM | PTI | C28 H32 N2 O2 | c1ccc(cc1).... |
21 | 1XP1 | ic50 = 0.5 nM | AIH | C28 H31 N O4 S | C[C@H]1CN(.... |
22 | 2QXS | - | RAL | C28 H27 N O4 S | c1cc(ccc1c.... |
23 | 6CHZ | - | F3D | C31 H36 N4 O2 | CC/C(=C(/c.... |
24 | 2Q70 | Ki = 8.3 nM | DC8 | C18 H16 F2 O3 | c1cc(ccc1[.... |
25 | 2R6W | Ki = 0.44 nM | LLB | C29 H29 N O4 S | CC1CCN(CC1.... |
26 | 2QE4 | Ki = 11 nM | JJ3 | C20 H22 O4 | COCc1cc(cc.... |
27 | 5AK2 | ic50 = 0.0039 uM | 85Z | C26 H19 F O5 | Cc1cc(ccc1.... |
28 | 1XP9 | ic50 = 1.3 nM | AIJ | C27 H29 N O4 S | C[C@@H](CO.... |
29 | 4IV4 | - | 1GS | C18 H17 F3 N2 O2 | CC(C)Cn1c(.... |
30 | 5UFW | - | 86V | C29 H31 N O4 | C[C@H]1CCN.... |
31 | 2IOK | ic50 = 1 nM | IOK | C26 H26 N2 O2 | C[C@H](CCc.... |
32 | 3OSA | - | KN3 | C19 H17 F3 N2 O2 | CC(=CCn1c2.... |
33 | 5TN9 | - | 7EC | C31 H32 Br N O6 S | c1cc(ccc1C.... |
34 | 3UUC | - | 0D1 | C14 H10 Cl2 O2 | c1cc(ccc1C.... |
35 | 1GWR | Kd = 250 nM | ASN ALA LEU LEU ARG TYR LEU LEU ASP | n/a | n/a |
36 | 4PP6 | - | LYS ILE LEU HIS ARG LEU LEU GLN ASP | n/a | n/a |
37 | 2OUZ | - | C3D | C28 H31 N O2 | c1ccc(cc1).... |
38 | 3OS9 | - | KN1 | C17 H13 F3 N2 O2 | C=CCn1c2c(.... |
39 | 1XPC | ic50 = 1.7 nM | AIT | C27 H29 N O4 S | C[C@H](COc.... |
40 | 6SQ0 | ic50 = 0.00000001 M | LRQ | C27 H27 F3 N2 O2 | CC(C)(CN1[.... |
41 | 2R6Y | Ki = 0.32 nM | LLC | C27 H25 N O4 S | c1cc(ccc1c.... |
42 | 4IU7 | - | 1GM | C16 H13 F3 N2 O2 | CCn1c(c2cc.... |
43 | 2POG | Ki = 0.29 nM | WST | C18 H18 O3 | c1cc(c2c(c.... |
44 | 5TNB | - | 7EB | C28 H28 Br N O6 S | CN(C)CCOc1.... |
45 | 1SJ0 | ic50 = 0.8 nM | E4D | C27 H29 N O4 S | c1cc(ccc1[.... |
46 | 5T92 | ic50 = 16 nM | 77W | C25 H22 F N O3 | C[C@]1(c2c.... |
47 | 5W9D | - | 9XY | C25 H27 N O2 | CC/C(=C(c1.... |
48 | 3DT3 | - | 369 | C23 H18 O4 | Cc1cc2cc(c.... |
49 | 5AAU | ic50 = 13.8 uM | XBR | C20 H19 Cl N2 O2 | c1ccc2c(c1.... |
50 | 6PET | - | G9J | C22 H17 I O3 | CC1=C([C@@.... |
51 | 6SUO | ic50 = 0.00000001 M | LVH | C26 H27 F3 N2 O2 | C[C@@H]1Cc.... |
52 | 5UFX | - | 86Y | C29 H31 N O4 | C[C@@H]1CC.... |
53 | 4IV2 | - | 1GR | C18 H17 F3 N2 O2 | CC(C)Cn1c2.... |
54 | 4IWC | - | 1GV | C18 H16 O2 S | Cc1cc(ccc1.... |
55 | 5FQP | ic50 = 19 nM | GQD | C23 H27 N O3 | C[C@@H]1Cc.... |
56 | 1YIN | ic50 = 1.4 nM | CM3 | C29 H32 F N O4 | C[C@@H]1c2.... |
57 | 4IVY | - | 1GT | C18 H15 F3 N2 O2 | C=CCCn1c2c.... |
58 | 2AYR | Ki = 0.51 nM | L4G | C30 H31 N O5 S | CS(=O)(=O).... |
59 | 4IWF | - | 15Q | C13 H9 Cl F N O3 | c1cc(c(cc1.... |
60 | 5FQS | ic50 = 44 nM | J0W | C23 H27 N O3 | CC(C)CN1CC.... |
61 | 1QKT | Kd = 0.92 nM | EST | C18 H24 O2 | C[C@]12CC[.... |
62 | 6IAR | - | H8W | C23 H27 N3 O2 | CC(C)CN1CC.... |
63 | 5ACC | ic50 = 0.676 nM | KE9 | C25 H25 F3 N2 O2 | C[C@@H]1Cc.... |
64 | 1G5Y | - | REA | C20 H28 O2 | CC1=C(C(CC.... |
65 | 3PCU | - | LX8 | C21 H24 O5 | CC(=O)OC(C.... |
66 | 5MKJ | - | 4CU | C21 H22 O4 | CCCOc1ccc(.... |
67 | 1FBY | Kd = 1.5 nM | 9CR | C20 H28 O2 | CC1=C(C(CC.... |
68 | 4N5G | ic50 = 14.5 uM | K09 | C23 H23 F N4 | CC1=C(c2cc.... |
69 | 1HG4 | - | LPP | C35 H69 O8 P | CCCCCCCCCC.... |
70 | 1G2N | - | EPH | C39 H68 N O8 P | CCCC=CCC=C.... |
71 | 2PJL | ic50 = 190 nM | 047 | C23 H28 N2 | Cc1ccc(cc1.... |
72 | 2JJ3 | Ki = 0.28 nM | JJ3 | C20 H22 O4 | COCc1cc(cc.... |
73 | 2Z4B | Ki = 0.44 nM | DC8 | C18 H16 F2 O3 | c1cc(ccc1[.... |
74 | 5TOA | - | EST | C18 H24 O2 | C[C@]12CC[.... |
75 | 1QKM | - | GEN | C15 H10 O5 | c1cc(ccc1C.... |
76 | 2GIU | ic50 = 1.5 nM | FBR | C17 H19 Br O2 | CCCC[C@@]1.... |
77 | 1QKN | - | RAL | C28 H27 N O4 S | c1cc(ccc1c.... |
78 | 1U9E | ic50 = 5.7 nM | 397 | C14 H10 O3 | c1cc(ccc1c.... |
79 | 1U3Q | ic50 = 3.5 nM | 272 | C13 H9 N O4 | c1cc2c(cc1.... |
80 | 2I0G | Ki = 0.19 nM | I0G | C18 H18 O3 | c1cc(ccc1[.... |
81 | 1HJ1 | - | PMB | C6 H5 Hg O3 S | c1cc(ccc1S.... |
82 | 2FSZ | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
83 | 2NV7 | ic50 = 5 nM | 555 | C17 H13 N O2 | c1ccc2c(c1.... |
84 | 3FS1 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
85 | 2ZAS | ic50 = 13.9 nM | 1OH | C15 H16 O | CC(C)(c1cc.... |
86 | 6I61 | Kd = 569 nM | H3W | C16 H18 O2 | CCC(C)(c1c.... |
87 | 6I66 | Kd = 182.5 nM | H4Q | C10 H14 O | CC[C@@H](C.... |
88 | 6I64 | Kd = 48.7 nM | H48 | C14 H14 O2 | CC(c1ccc(c.... |
89 | 2EWP | ic50 = 0.079 uM | TXF | C27 H31 N O3 | CN(C)CCOc1.... |
90 | 1S9P | - | DES | C18 H20 O2 | CC/C(=C(/C.... |
91 | 6I67 | Kd = 201.4 nM | H42 | C10 H12 O | c1cc2c(cc1.... |
92 | 2E2R | Kd = 5.5 nM | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
93 | 2P7Z | Kd = 0.262 uM | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
94 | 6I65 | Kd = 390.4 nM | H3Z | C9 H12 O | CC(C)c1ccc.... |
95 | 6I62 | Kd = 157.3 nM | 27N | C14 H11 Cl3 O2 | c1cc(ccc1C.... |
96 | 2GPU | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
97 | 6I63 | Kd = 98 nM | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
98 | 2P7A | Kd = 0.788 uM | 43M | C7 H7 Cl O | Cc1cc(ccc1.... |
99 | 2P7G | Kd = 0.297 uM | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
100 | 6K3N | ic50 = 5.3 nM | CW6 | C15 H15 F O2 | CC(C)(c1cc.... |
101 | 1S9Q | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EPH | 1 | 1 |
2 | GP7 | 0.847059 | 1 |
3 | 6OU | 0.752941 | 1 |
4 | LOP | 0.752941 | 1 |
5 | L9Q | 0.752941 | 1 |
6 | RXY | 0.744186 | 1 |
7 | PEK | 0.741573 | 1 |
8 | ZPE | 0.715909 | 1 |
9 | PSC | 0.673684 | 0.79661 |
10 | PEH | 0.647059 | 0.980769 |
11 | PEF | 0.647059 | 0.980769 |
12 | 3PE | 0.647059 | 0.980769 |
13 | PEV | 0.647059 | 0.980769 |
14 | PTY | 0.647059 | 0.980769 |
15 | 8PE | 0.647059 | 0.980769 |
16 | 9PE | 0.639535 | 0.980769 |
17 | PCW | 0.634409 | 0.79661 |
18 | P50 | 0.610526 | 0.924528 |
19 | PGW | 0.595745 | 0.830189 |
20 | D3D | 0.595745 | 0.830189 |
21 | DR9 | 0.589474 | 0.830189 |
22 | PGV | 0.589474 | 0.830189 |
23 | P6L | 0.583333 | 0.830189 |
24 | DLP | 0.58 | 0.728814 |
25 | OZ2 | 0.57732 | 0.830189 |
26 | D21 | 0.566667 | 0.792453 |
27 | T7X | 0.563107 | 0.711864 |
28 | B7N | 0.555556 | 0.711864 |
29 | PLD | 0.537634 | 0.779661 |
30 | 6PL | 0.537634 | 0.779661 |
31 | PC7 | 0.537634 | 0.779661 |
32 | HGP | 0.537634 | 0.779661 |
33 | HGX | 0.537634 | 0.779661 |
34 | LIO | 0.537634 | 0.779661 |
35 | PX4 | 0.537634 | 0.779661 |
36 | PEE | 0.532609 | 0.962264 |
37 | L9R | 0.53 | 0.728814 |
38 | LBN | 0.53 | 0.728814 |
39 | POV | 0.53 | 0.728814 |
40 | PIE | 0.519608 | 0.666667 |
41 | XP5 | 0.516129 | 0.779661 |
42 | CD4 | 0.51087 | 0.807692 |
43 | P5S | 0.505263 | 0.888889 |
44 | P3A | 0.504854 | 0.796296 |
45 | PGT | 0.5 | 0.811321 |
46 | LHG | 0.5 | 0.811321 |
47 | 8SP | 0.494737 | 0.888889 |
48 | HXG | 0.494624 | 0.779661 |
49 | PCK | 0.480769 | 0.741935 |
50 | CN3 | 0.47 | 0.807692 |
51 | LPP | 0.466667 | 0.773585 |
52 | 3PH | 0.466667 | 0.773585 |
53 | F57 | 0.466667 | 0.773585 |
54 | 7PH | 0.466667 | 0.773585 |
55 | 6PH | 0.466667 | 0.773585 |
56 | PII | 0.464646 | 0.694915 |
57 | PSF | 0.463158 | 0.888889 |
58 | 7P9 | 0.461538 | 0.773585 |
59 | PX8 | 0.461538 | 0.754717 |
60 | PX2 | 0.461538 | 0.754717 |
61 | 44G | 0.457447 | 0.811321 |
62 | PIZ | 0.451923 | 0.694915 |
63 | 42H | 0.45098 | 0.830508 |
64 | PA8 | 0.450549 | 0.754717 |
65 | CN6 | 0.45 | 0.807692 |
66 | BQ9 | 0.44898 | 0.615385 |
67 | PGK | 0.447619 | 0.767857 |
68 | LPX | 0.446809 | 0.961538 |
69 | PD7 | 0.444444 | 0.773585 |
70 | CDL | 0.443299 | 0.735849 |
71 | IP9 | 0.442308 | 0.694915 |
72 | PC1 | 0.44 | 0.711864 |
73 | MC3 | 0.44 | 0.711864 |
74 | PCF | 0.44 | 0.711864 |
75 | DGG | 0.435185 | 0.767857 |
76 | S12 | 0.427184 | 0.888889 |
77 | PIF | 0.427184 | 0.683333 |
78 | M7U | 0.424242 | 0.773585 |
79 | PG8 | 0.424242 | 0.777778 |
80 | 44E | 0.422222 | 0.773585 |
81 | 8ND | 0.419355 | 0.716981 |
82 | PDK | 0.418803 | 0.819672 |
83 | NKP | 0.416667 | 0.792453 |
84 | 52N | 0.415094 | 0.683333 |
85 | PIO | 0.415094 | 0.683333 |
86 | AGA | 0.401961 | 0.777778 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1g2n.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |