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- 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 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 | Similarity coefficient |
---|---|---|
1 | AM1 | 0.9352 |
2 | 512 | 0.9322 |
3 | 4KL | 0.9242 |
4 | IBC | 0.9189 |
5 | IBM | 0.9162 |
6 | BY5 | 0.9134 |
7 | AIN | 0.9106 |
8 | KG1 | 0.9067 |
9 | 60Q | 0.9047 |
10 | CPW | 0.9042 |
11 | GI3 | 0.9022 |
12 | S3C | 0.9006 |
13 | CLU | 0.9005 |
14 | KYA | 0.9002 |
15 | DC5 | 0.8996 |
16 | OBP | 0.8996 |
17 | 61O | 0.8996 |
18 | BPS | 0.8990 |
19 | ZZ8 | 0.8974 |
20 | M3Q | 0.8974 |
21 | 49N | 0.8966 |
22 | 96R | 0.8966 |
23 | QM1 | 0.8965 |
24 | 6XI | 0.8960 |
25 | CKX | 0.8959 |
26 | 3B4 | 0.8959 |
27 | 8GK | 0.8953 |
28 | 505 | 0.8952 |
29 | NCV | 0.8936 |
30 | 293 | 0.8935 |
31 | T6Z | 0.8928 |
32 | OSB | 0.8924 |
33 | B2Y | 0.8920 |
34 | 57O | 0.8919 |
35 | QZ8 | 0.8914 |
36 | LT8 | 0.8900 |
37 | IPT | 0.8900 |
38 | K2P | 0.8899 |
39 | MIF | 0.8892 |
40 | V6F | 0.8888 |
41 | JAA | 0.8887 |
42 | 1FF | 0.8883 |
43 | LIP | 0.8882 |
44 | MUR | 0.8881 |
45 | 67Y | 0.8879 |
46 | 9KH | 0.8876 |
47 | XFE | 0.8875 |
48 | M4B | 0.8874 |
49 | 5OF | 0.8871 |
50 | SQP | 0.8867 |
51 | 0GY | 0.8865 |
52 | JR2 | 0.8862 |
53 | NLA | 0.8861 |
54 | A1Y | 0.8855 |
55 | 2CL | 0.8853 |
56 | CP7 | 0.8852 |
57 | HHT | 0.8852 |
58 | PRZ | 0.8851 |
59 | U1K | 0.8845 |
60 | F69 | 0.8840 |
61 | G1P | 0.8823 |
62 | FA6 | 0.8823 |
63 | 54X | 0.8823 |
64 | GLS | 0.8820 |
65 | QMS | 0.8817 |
66 | NBG | 0.8816 |
67 | BCK | 0.8816 |
68 | Z5P | 0.8802 |
69 | K3Q | 0.8799 |
70 | KFN | 0.8796 |
71 | KED | 0.8791 |
72 | CE2 | 0.8788 |
73 | GT0 | 0.8775 |
74 | SBK | 0.8772 |
75 | MIG | 0.8772 |
76 | S0G | 0.8771 |
77 | OA3 | 0.8757 |
78 | A9O | 0.8745 |
79 | EVA | 0.8744 |
80 | GL4 | 0.8742 |
81 | C9E | 0.8731 |
82 | 22L | 0.8726 |
83 | XQK | 0.8725 |
84 | X04 | 0.8725 |
85 | NZ3 | 0.8718 |
86 | 692 | 0.8717 |
87 | 49O | 0.8711 |
88 | 9GP | 0.8708 |
89 | GL5 | 0.8699 |
90 | KIF | 0.8689 |
91 | CR1 | 0.8688 |
92 | AKD | 0.8681 |
93 | 790 | 0.8677 |
94 | 6DP | 0.8673 |
95 | 5VJ | 0.8670 |
96 | GL2 | 0.8663 |
97 | GL7 | 0.8652 |
98 | FWD | 0.8650 |
99 | MOK | 0.8645 |
100 | RVE | 0.8645 |
101 | J01 | 0.8642 |
102 | HA7 | 0.8632 |
103 | IPD | 0.8623 |
104 | BDP | 0.8621 |
105 | ICT | 0.8609 |
106 | ALA LEU | 0.8609 |
107 | 4MX | 0.8607 |
108 | K3Y | 0.8599 |
109 | MPK | 0.8599 |
110 | 3RI | 0.8588 |
111 | I4D | 0.8586 |
112 | CWD | 0.8581 |
113 | LOG | 0.8558 |
114 | GPM | 0.8557 |
115 | 2CZ | 0.8551 |
116 | 2D3 | 0.8546 |
117 | TAZ | 0.8531 |
118 | O2Y | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 4tmn.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |