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- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1LNC | - | VAL LYS | n/a | n/a |
2 | 4MXJ | - | 2G8 | C18 H30 N3 O5 P | CCCNC(=O)[.... |
3 | 5JT9 | Kd = 0.233 uM | 7AF | C21 H36 N3 O5 P | C[C@H](CNC.... |
4 | 2TMN | Ki = 1.3 uM | 0FA | C6 H15 N2 O4 P | CC(C)C[C@@.... |
5 | 5LIF | Kd = 1.34 uM | 6XO | C24 H38 N3 O7 P | CC(C)C[C@@.... |
6 | 1GXW | - | VAL LYS | n/a | n/a |
7 | 1PE8 | - | BR5 LEU LEN | n/a | n/a |
8 | 6D5T | - | VAL LYS | n/a | n/a |
9 | 5N31 | - | 8LB | C21 H35 N4 O7 P | CC(C)C[C@@.... |
10 | 5N2X | - | 8KN | C20 H33 N4 O7 P | CC(C)C[C@@.... |
11 | 1LNE | - | VAL LYS | n/a | n/a |
12 | 1Y3G | Ki = 40 nM | 3PL AMM LEU | n/a | n/a |
13 | 1HYT | - | BZS | C11 H12 O4 | c1ccc(cc1).... |
14 | 1LNB | - | VAL LYS | n/a | n/a |
15 | 3MSA | - | B3R | C6 H5 Br O | c1cc(cc(c1.... |
16 | 5L41 | Kd = 0.31 uM | 6QC | C21 H36 N3 O5 P | C[C@@H](CN.... |
17 | 5WR2 | - | NX6 | C12 H13 N O6 | c1ccc(cc1).... |
18 | 1KKK | - | PHQ ASP | n/a | n/a |
19 | 5WR5 | - | NX6 | C12 H13 N O6 | c1ccc(cc1).... |
20 | 6GHX | - | ILE ILE | n/a | n/a |
21 | 1KR6 | - | PHQ DGL | n/a | n/a |
22 | 2TLX | - | VAL LYS | n/a | n/a |
23 | 1PE5 | - | BR3 LEU LEN | n/a | n/a |
24 | 4N4E | - | 2G6 | C21 H36 N3 O5 P | CC(C)C[C@@.... |
25 | 5N34 | - | 8JQ | C17 H29 N4 O5 P | CC(C)C[C@@.... |
26 | 1LNA | - | VAL LYS | n/a | n/a |
27 | 3ZI6 | - | VAL LYS | n/a | n/a |
28 | 4TMN | Ki = 0.068 nM | 0PK | C25 H34 N3 O7 P | NULL |
29 | 6D5R | - | VAL LYS | n/a | n/a |
30 | 5TMN | Ki = 9.1 nM | 0PJ | C21 H34 N3 O7 P | NULL |
31 | 3NN7 | - | BXA | C2 H3 Br O2 | C(C(=O)O)B.... |
32 | 1ZDP | Ki = 1.8 uM | TIO | C12 H15 N O3 S | c1ccc(cc1).... |
33 | 1FJT | - | VAL LYS | n/a | n/a |
34 | 6QF2 | - | LEU LYS | n/a | n/a |
35 | 3MSN | - | NMU | C2 H6 N2 O | CNC(=O)N |
36 | 4TLN | Ki = 190 uM | LNO | C6 H14 N2 O2 | CC(C)C[C@@.... |
37 | 4MWP | - | 2GC | C23 H32 N3 O5 P | CC(C)C[C@@.... |
38 | 1QF0 | Ki = 42 nM | TI2 | C27 H28 N2 O5 S | c1ccc(cc1).... |
39 | 6D5S | - | VAL LYS | n/a | n/a |
40 | 1KRO | - | PHQ DTH | n/a | n/a |
41 | 1KJP | - | PHQ GLU | n/a | n/a |
42 | 1KL6 | - | PHQ ALA | n/a | n/a |
43 | 1Z9G | Ki = 2.3 uM | RRT | C12 H15 N O3 S | c1ccc(cc1).... |
44 | 4MZN | - | 2G9 | C20 H34 N3 O5 P | CC[C@H](C).... |
45 | 5WR6 | - | NX6 | C12 H13 N O6 | c1ccc(cc1).... |
46 | 6FSM | - | VAL LYS | n/a | n/a |
47 | 1QF2 | Ki = 1200 nM | TI3 | C22 H24 N2 O4 S | c1ccc(cc1).... |
48 | 1KJO | - | PHQ THR | n/a | n/a |
49 | 1KTO | - | PHQ DAL | n/a | n/a |
50 | 1PE7 | - | 4BR LEU LEN | n/a | n/a |
51 | 3TMN | - | VAL TRP | n/a | n/a |
52 | 5N2Z | - | 8JH | C19 H33 N4 O5 P | CC(C)C[C@@.... |
53 | 5JVI | Kd = 0.31 uM | 6QC | C21 H36 N3 O5 P | C[C@@H](CN.... |
54 | 8TLN | - | VAL LYS | n/a | n/a |
55 | 5M9W | Kd = 5.7 mM | 7GR | C17 H26 N3 O7 P | CC(C)C[C@@.... |
56 | 1LNF | - | VAL LYS | n/a | n/a |
57 | 3F28 | - | S7B | C12 H12 O4 | Cc1cccc(c1.... |
58 | 5WR3 | - | NX6 | C12 H13 N O6 | c1ccc(cc1).... |
59 | 4OI5 | - | 2G6 | C21 H36 N3 O5 P | CC(C)C[C@@.... |
60 | 1QF1 | Ki = 48 nM | TI1 | C19 H28 N2 O4 S | CCCCC[C@@H.... |
61 | 1TLP | Ki = 28 nM | RDF | C23 H34 N3 O10 P | C[C@H]1[C@.... |
62 | 5N2T | - | 8KK | C18 H31 N4 O5 P | CC(C)C[C@@.... |
63 | 3FCQ | Ki = 1.7 mM | M3S | C10 H10 O4 | Cc1cccc(c1.... |
64 | 5JS3 | Kd = 0.185 uM | 6MG | C22 H38 N3 O5 P | C[C@H](CNC.... |
65 | 5M5F | Kd = 5.7 mM | 7GR | C17 H26 N3 O7 P | CC(C)C[C@@.... |
66 | 5LVD | Kd = 2.4 mM | 79F | C18 H28 N3 O8 P | CC(C)C[C@@.... |
67 | 5MA7 | Kd = 0.336 mM | 7K0 | C18 H29 N4 O7 P | CC(C)C[C@@.... |
68 | 1TLX | - | VAL LYS | n/a | n/a |
69 | 6D5Q | - | VAL LYS | n/a | n/a |
70 | 5N3V | - | 8L5 | C16 H30 N4 O5 P | [H].[H].[H.... |
71 | 5TLN | Ki = 0.43 uM | BAN | C21 H23 N5 O7 | C[C@@H](C(.... |
72 | 5L8P | Kd = 0.185 uM | 6MG | C22 H38 N3 O5 P | C[C@H](CNC.... |
73 | 5L3U | Kd = 0.354 uM | 6NG | C22 H38 N3 O5 P | C[C@@H](CN.... |
74 | 6D5N | - | VAL LYS | n/a | n/a |
75 | 5MNR | - | JC2 | C19 H31 N4 O7 P | CC(C)C[C@@.... |
76 | 6D5U | - | VAL LYS | n/a | n/a |
77 | 1TMN | Ki = 50 nM | 0ZN | C27 H33 N3 O5 | CC(C)C[C@@.... |
78 | 3F2P | - | S3B | C11 H12 O4 | CCC(=O)Oc1.... |
79 | 1THL | Ki = 0.38 uM | 0DB | C28 H32 N2 O5 | NULL |
80 | 1OS0 | Ki = 0.93 uM | 0PQ | C27 H31 N2 O5 P | c1ccc(cc1).... |
81 | 5JXN | Kd = 0.388 uM | 6NN | C20 H34 N3 O5 P | CC[C@@H](C.... |
82 | 6FJ2 | - | VAL LYS | n/a | n/a |
83 | 6TMN | - | 0PI | C21 H33 N2 O8 P | NULL |
84 | 6D5O | - | VAL LYS | n/a | n/a |
85 | 1KS7 | - | PHQ DAS | n/a | n/a |
86 | 5DPE | - | 5H8 | C21 H34 N3 O7 P | CC(C)C[C@@.... |
87 | 5LWD | Kd = 0.57 uM | 79E | C21 H35 N4 O6 P | CC(C)C[C@@.... |
88 | 4N66 | - | 2GZ | C20 H34 N3 O5 P | CC(C)C[C@@.... |
89 | 1LND | - | VAL LYS | n/a | n/a |
90 | 5DPF | - | 5H9 | C22 H36 N3 O7 P | CC(C)C[C@@.... |
91 | 6QF3 | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
92 | 5FXN | - | VAL LYS | n/a | n/a |
93 | 5N3Y | - | 8L2 | C18 H29 N4 O7 P | CC(C)C[C@@.... |
94 | 5M69 | Kd = 5.7 mM | 7GR | C17 H26 N3 O7 P | CC(C)C[C@@.... |
95 | 1KEI | - | VAL LYS | n/a | n/a |
96 | 4N5P | - | 2H0 | C20 H34 N3 O5 P | CC(C)CCNC(.... |
97 | 4MTW | - | 2G7 | C19 H32 N3 O5 P | CC(C)C[C@@.... |
98 | 5JSS | Kd = 0.354 uM | 6NG | C22 H38 N3 O5 P | C[C@@H](CN.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1LNC | - | VAL LYS | n/a | n/a |
2 | 4MXJ | - | 2G8 | C18 H30 N3 O5 P | CCCNC(=O)[.... |
3 | 5JT9 | Kd = 0.233 uM | 7AF | C21 H36 N3 O5 P | C[C@H](CNC.... |
4 | 2TMN | Ki = 1.3 uM | 0FA | C6 H15 N2 O4 P | CC(C)C[C@@.... |
5 | 5LIF | Kd = 1.34 uM | 6XO | C24 H38 N3 O7 P | CC(C)C[C@@.... |
6 | 1GXW | - | VAL LYS | n/a | n/a |
7 | 1PE8 | - | BR5 LEU LEN | n/a | n/a |
8 | 6D5T | - | VAL LYS | n/a | n/a |
9 | 5N31 | - | 8LB | C21 H35 N4 O7 P | CC(C)C[C@@.... |
10 | 5N2X | - | 8KN | C20 H33 N4 O7 P | CC(C)C[C@@.... |
11 | 1LNE | - | VAL LYS | n/a | n/a |
12 | 1Y3G | Ki = 40 nM | 3PL AMM LEU | n/a | n/a |
13 | 1HYT | - | BZS | C11 H12 O4 | c1ccc(cc1).... |
14 | 1LNB | - | VAL LYS | n/a | n/a |
15 | 3MSA | - | B3R | C6 H5 Br O | c1cc(cc(c1.... |
16 | 5L41 | Kd = 0.31 uM | 6QC | C21 H36 N3 O5 P | C[C@@H](CN.... |
17 | 5WR2 | - | NX6 | C12 H13 N O6 | c1ccc(cc1).... |
18 | 1KKK | - | PHQ ASP | n/a | n/a |
19 | 5WR5 | - | NX6 | C12 H13 N O6 | c1ccc(cc1).... |
20 | 6GHX | - | ILE ILE | n/a | n/a |
21 | 1KR6 | - | PHQ DGL | n/a | n/a |
22 | 2TLX | - | VAL LYS | n/a | n/a |
23 | 1PE5 | - | BR3 LEU LEN | n/a | n/a |
24 | 4N4E | - | 2G6 | C21 H36 N3 O5 P | CC(C)C[C@@.... |
25 | 5N34 | - | 8JQ | C17 H29 N4 O5 P | CC(C)C[C@@.... |
26 | 1LNA | - | VAL LYS | n/a | n/a |
27 | 3ZI6 | - | VAL LYS | n/a | n/a |
28 | 4TMN | Ki = 0.068 nM | 0PK | C25 H34 N3 O7 P | NULL |
29 | 6D5R | - | VAL LYS | n/a | n/a |
30 | 5TMN | Ki = 9.1 nM | 0PJ | C21 H34 N3 O7 P | NULL |
31 | 3NN7 | - | BXA | C2 H3 Br O2 | C(C(=O)O)B.... |
32 | 1ZDP | Ki = 1.8 uM | TIO | C12 H15 N O3 S | c1ccc(cc1).... |
33 | 1FJT | - | VAL LYS | n/a | n/a |
34 | 6QF2 | - | LEU LYS | n/a | n/a |
35 | 3MSN | - | NMU | C2 H6 N2 O | CNC(=O)N |
36 | 4TLN | Ki = 190 uM | LNO | C6 H14 N2 O2 | CC(C)C[C@@.... |
37 | 4MWP | - | 2GC | C23 H32 N3 O5 P | CC(C)C[C@@.... |
38 | 1QF0 | Ki = 42 nM | TI2 | C27 H28 N2 O5 S | c1ccc(cc1).... |
39 | 6D5S | - | VAL LYS | n/a | n/a |
40 | 1KRO | - | PHQ DTH | n/a | n/a |
41 | 1KJP | - | PHQ GLU | n/a | n/a |
42 | 1KL6 | - | PHQ ALA | n/a | n/a |
43 | 1Z9G | Ki = 2.3 uM | RRT | C12 H15 N O3 S | c1ccc(cc1).... |
44 | 4MZN | - | 2G9 | C20 H34 N3 O5 P | CC[C@H](C).... |
45 | 5WR6 | - | NX6 | C12 H13 N O6 | c1ccc(cc1).... |
46 | 6FSM | - | VAL LYS | n/a | n/a |
47 | 1QF2 | Ki = 1200 nM | TI3 | C22 H24 N2 O4 S | c1ccc(cc1).... |
48 | 1KJO | - | PHQ THR | n/a | n/a |
49 | 1KTO | - | PHQ DAL | n/a | n/a |
50 | 1PE7 | - | 4BR LEU LEN | n/a | n/a |
51 | 3TMN | - | VAL TRP | n/a | n/a |
52 | 5N2Z | - | 8JH | C19 H33 N4 O5 P | CC(C)C[C@@.... |
53 | 5JVI | Kd = 0.31 uM | 6QC | C21 H36 N3 O5 P | C[C@@H](CN.... |
54 | 8TLN | - | VAL LYS | n/a | n/a |
55 | 5M9W | Kd = 5.7 mM | 7GR | C17 H26 N3 O7 P | CC(C)C[C@@.... |
56 | 1LNF | - | VAL LYS | n/a | n/a |
57 | 3F28 | - | S7B | C12 H12 O4 | Cc1cccc(c1.... |
58 | 5WR3 | - | NX6 | C12 H13 N O6 | c1ccc(cc1).... |
59 | 4OI5 | - | 2G6 | C21 H36 N3 O5 P | CC(C)C[C@@.... |
60 | 1QF1 | Ki = 48 nM | TI1 | C19 H28 N2 O4 S | CCCCC[C@@H.... |
61 | 1TLP | Ki = 28 nM | RDF | C23 H34 N3 O10 P | C[C@H]1[C@.... |
62 | 5N2T | - | 8KK | C18 H31 N4 O5 P | CC(C)C[C@@.... |
63 | 3FCQ | Ki = 1.7 mM | M3S | C10 H10 O4 | Cc1cccc(c1.... |
64 | 5JS3 | Kd = 0.185 uM | 6MG | C22 H38 N3 O5 P | C[C@H](CNC.... |
65 | 5M5F | Kd = 5.7 mM | 7GR | C17 H26 N3 O7 P | CC(C)C[C@@.... |
66 | 5LVD | Kd = 2.4 mM | 79F | C18 H28 N3 O8 P | CC(C)C[C@@.... |
67 | 5MA7 | Kd = 0.336 mM | 7K0 | C18 H29 N4 O7 P | CC(C)C[C@@.... |
68 | 1TLX | - | VAL LYS | n/a | n/a |
69 | 6D5Q | - | VAL LYS | n/a | n/a |
70 | 5N3V | - | 8L5 | C16 H30 N4 O5 P | [H].[H].[H.... |
71 | 5TLN | Ki = 0.43 uM | BAN | C21 H23 N5 O7 | C[C@@H](C(.... |
72 | 5L8P | Kd = 0.185 uM | 6MG | C22 H38 N3 O5 P | C[C@H](CNC.... |
73 | 5L3U | Kd = 0.354 uM | 6NG | C22 H38 N3 O5 P | C[C@@H](CN.... |
74 | 6D5N | - | VAL LYS | n/a | n/a |
75 | 5MNR | - | JC2 | C19 H31 N4 O7 P | CC(C)C[C@@.... |
76 | 6D5U | - | VAL LYS | n/a | n/a |
77 | 1TMN | Ki = 50 nM | 0ZN | C27 H33 N3 O5 | CC(C)C[C@@.... |
78 | 3F2P | - | S3B | C11 H12 O4 | CCC(=O)Oc1.... |
79 | 1THL | Ki = 0.38 uM | 0DB | C28 H32 N2 O5 | NULL |
80 | 1OS0 | Ki = 0.93 uM | 0PQ | C27 H31 N2 O5 P | c1ccc(cc1).... |
81 | 5JXN | Kd = 0.388 uM | 6NN | C20 H34 N3 O5 P | CC[C@@H](C.... |
82 | 6FJ2 | - | VAL LYS | n/a | n/a |
83 | 6TMN | - | 0PI | C21 H33 N2 O8 P | NULL |
84 | 6D5O | - | VAL LYS | n/a | n/a |
85 | 1KS7 | - | PHQ DAS | n/a | n/a |
86 | 5DPE | - | 5H8 | C21 H34 N3 O7 P | CC(C)C[C@@.... |
87 | 5LWD | Kd = 0.57 uM | 79E | C21 H35 N4 O6 P | CC(C)C[C@@.... |
88 | 4N66 | - | 2GZ | C20 H34 N3 O5 P | CC(C)C[C@@.... |
89 | 1LND | - | VAL LYS | n/a | n/a |
90 | 5DPF | - | 5H9 | C22 H36 N3 O7 P | CC(C)C[C@@.... |
91 | 6QF3 | - | ASP | C4 H7 N O4 | C([C@@H](C.... |
92 | 5FXN | - | VAL LYS | n/a | n/a |
93 | 5N3Y | - | 8L2 | C18 H29 N4 O7 P | CC(C)C[C@@.... |
94 | 5M69 | Kd = 5.7 mM | 7GR | C17 H26 N3 O7 P | CC(C)C[C@@.... |
95 | 1KEI | - | VAL LYS | n/a | n/a |
96 | 4N5P | - | 2H0 | C20 H34 N3 O5 P | CC(C)CCNC(.... |
97 | 4MTW | - | 2G7 | C19 H32 N3 O5 P | CC(C)C[C@@.... |
98 | 5JSS | Kd = 0.354 uM | 6NG | C22 H38 N3 O5 P | C[C@@H](CN.... |
99 | 5A3Y | - | VAL LYS | n/a | n/a |
100 | 4B52 | - | RDF | C23 H34 N3 O10 P | C[C@H]1[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PHQ ALA | 1 | 1 |
2 | BBL | 0.708333 | 0.875 |
3 | PHQ DTH | 0.686275 | 0.852941 |
4 | PHQ DAS | 0.603774 | 0.848485 |
5 | PHQ DGL | 0.571429 | 0.848485 |
6 | NX6 | 0.517857 | 0.72973 |
7 | MP2 | 0.47619 | 0.613636 |
8 | LDZ | 0.463768 | 0.717949 |
9 | N9M | 0.462963 | 0.634146 |
10 | FK8 | 0.446809 | 0.733333 |
11 | 186 | 0.438356 | 0.682927 |
12 | RDY | 0.431034 | 0.722222 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PHQ THR | 0.9499 |
2 | 0OM | 0.9478 |
3 | PHQ DAL | 0.9444 |
4 | PHE ALA | 0.9407 |
5 | BZM | 0.9346 |
6 | 3S9 | 0.9309 |
7 | M5P | 0.9225 |
8 | JF5 | 0.9183 |
9 | PZX | 0.9163 |
10 | S0B | 0.9129 |
11 | Q86 | 0.9103 |
12 | 6C4 | 0.9053 |
13 | 6FG | 0.9052 |
14 | 5TO | 0.9046 |
15 | JP5 | 0.8990 |
16 | JOT | 0.8985 |
17 | HPZ | 0.8982 |
18 | RDV | 0.8976 |
19 | F63 | 0.8959 |
20 | 3KJ | 0.8957 |
21 | KPV | 0.8941 |
22 | 6C9 | 0.8937 |
23 | 3CX | 0.8925 |
24 | KLS | 0.8905 |
25 | KAP | 0.8903 |
26 | 0V7 | 0.8899 |
27 | C1E | 0.8898 |
28 | HPK | 0.8893 |
29 | 3GC | 0.8892 |
30 | OGY | 0.8885 |
31 | D53 | 0.8882 |
32 | NFZ | 0.8882 |
33 | 3VR | 0.8880 |
34 | XI7 | 0.8878 |
35 | HAR | 0.8877 |
36 | 1Q2 | 0.8867 |
37 | OJD | 0.8859 |
38 | 4JK | 0.8859 |
39 | IJ6 | 0.8854 |
40 | GHQ | 0.8837 |
41 | MFY | 0.8832 |
42 | 1PS | 0.8832 |
43 | DA2 | 0.8827 |
44 | YE6 | 0.8825 |
45 | GG8 | 0.8816 |
46 | 00G | 0.8814 |
47 | IJ4 | 0.8812 |
48 | 0V8 | 0.8805 |
49 | IJ1 | 0.8802 |
50 | OX3 | 0.8784 |
51 | 5KJ | 0.8784 |
52 | NRG | 0.8775 |
53 | BSA | 0.8769 |
54 | TPM | 0.8765 |
55 | ZMG | 0.8758 |
56 | JKK | 0.8758 |
57 | TFQ | 0.8754 |
58 | 2L1 | 0.8751 |
59 | 6PG | 0.8744 |
60 | DI9 | 0.8738 |
61 | 4Z0 | 0.8735 |
62 | 0XR | 0.8719 |
63 | 848 | 0.8716 |
64 | PHQ ASP | 0.8711 |
65 | 5PV | 0.8711 |
66 | FZ3 | 0.8699 |
67 | HJ1 | 0.8698 |
68 | E8U | 0.8697 |
69 | SB7 | 0.8696 |
70 | JON | 0.8695 |
71 | HRG | 0.8693 |
72 | F6R | 0.8693 |
73 | 9OD | 0.8689 |
74 | HLP | 0.8686 |
75 | 531 | 0.8683 |
76 | WT2 | 0.8681 |
77 | D4G | 0.8675 |
78 | ALY | 0.8672 |
79 | A18 | 0.8672 |
80 | 8CV | 0.8660 |
81 | GB2 | 0.8660 |
82 | 94X | 0.8659 |
83 | 7HV | 0.8655 |
84 | S6P | 0.8652 |
85 | 08D | 0.8651 |
86 | 1HR | 0.8648 |
87 | G6Q | 0.8639 |
88 | KYN | 0.8599 |
89 | AGP | 0.8597 |
90 | 22J | 0.8545 |
This union binding pocket(no: 1) in the query (biounit: 4tmn.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |