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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 2CYB | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
2 | 4NX2 | - | 2LT | C9 H9 Cl2 N O3 | c1c(cc(c(c.... |
3 | 3QE4 | - | 4CF | C10 H10 N2 O2 | c1cc(ccc1C.... |
4 | 4NDA | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
5 | 3D6V | - | TFQ | C11 H12 F3 N O2 | c1cc(ccc1C.... |
6 | 2AG6 | - | 4BF | C9 H10 Br N O2 | c1cc(ccc1C.... |
7 | 3D6U | - | T11 | C11 H12 F3 N3 O2 | c1cc(ccc1C.... |
8 | 4PBT | - | 2LQ | C18 H24 N2 O3 | c1cc(ccc1C.... |
9 | 5N5U | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
10 | 2HGZ | - | PBF | C16 H15 N O3 | c1ccc(cc1).... |
11 | 4PBR | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
12 | 5L7P | - | BUU | C16 H16 N2 O6 | c1ccc(c(c1.... |
13 | 2PXH | - | BP5 | C13 H13 N3 O2 | c1ccnc(c1).... |
14 | 5NSF | - | 96Z | C13 H15 N O2 | C1C=CC2=CC.... |
15 | 3N2Y | - | TEF | C10 H11 N5 O2 | c1cc(ccc1C.... |
16 | 6WRN | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
17 | 1ZH6 | - | 4AF | C11 H13 N O3 | CC(=O)c1cc.... |
18 | 4PBS | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
19 | 6WRK | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
20 | 1ZH0 | - | NAL | C13 H13 N O2 | c1ccc2cc(c.... |
21 | 6WRQ | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
22 | 6WRT | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2CYB | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
2 | 4NX2 | - | 2LT | C9 H9 Cl2 N O3 | c1c(cc(c(c.... |
3 | 3QE4 | - | 4CF | C10 H10 N2 O2 | c1cc(ccc1C.... |
4 | 4NDA | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
5 | 3D6V | - | TFQ | C11 H12 F3 N O2 | c1cc(ccc1C.... |
6 | 2AG6 | - | 4BF | C9 H10 Br N O2 | c1cc(ccc1C.... |
7 | 3D6U | - | T11 | C11 H12 F3 N3 O2 | c1cc(ccc1C.... |
8 | 4PBT | - | 2LQ | C18 H24 N2 O3 | c1cc(ccc1C.... |
9 | 5N5U | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
10 | 2HGZ | - | PBF | C16 H15 N O3 | c1ccc(cc1).... |
11 | 4PBR | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
12 | 5L7P | - | BUU | C16 H16 N2 O6 | c1ccc(c(c1.... |
13 | 2PXH | - | BP5 | C13 H13 N3 O2 | c1ccnc(c1).... |
14 | 5NSF | - | 96Z | C13 H15 N O2 | C1C=CC2=CC.... |
15 | 3N2Y | - | TEF | C10 H11 N5 O2 | c1cc(ccc1C.... |
16 | 6WRN | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
17 | 1ZH6 | - | 4AF | C11 H13 N O3 | CC(=O)c1cc.... |
18 | 4PBS | - | 2L7 | C13 H17 Br N2 O3 | CC(C)(C(=O.... |
19 | 6WRK | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
20 | 1ZH0 | - | NAL | C13 H13 N O2 | c1ccc2cc(c.... |
21 | 6WRQ | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
22 | 6WRT | - | NIY | C9 H10 N2 O5 | c1cc(c(cc1.... |
23 | 2CYC | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
24 | 1Q11 | - | TYE | C9 H13 N O2 | c1cc(ccc1C.... |
25 | 5THH | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
26 | 3VGJ | - | TYR AMP | n/a | n/a |
27 | 2J5B | - | TYE | C9 H13 N O2 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TFQ | 1 | 1 |
2 | PFF | 0.619048 | 0.833333 |
3 | TYR | 0.595238 | 0.666667 |
4 | DTY | 0.595238 | 0.666667 |
5 | PHI | 0.545455 | 0.774194 |
6 | 4BF | 0.545455 | 0.774194 |
7 | T11 | 0.54 | 0.622222 |
8 | 0A1 | 0.521739 | 0.611111 |
9 | 4AF | 0.521739 | 0.6875 |
10 | 7N8 | 0.521739 | 0.605263 |
11 | 4CF | 0.510638 | 0.709677 |
12 | PHE | 0.5 | 0.785714 |
13 | DPN | 0.5 | 0.785714 |
14 | PBF | 0.45283 | 0.666667 |
15 | YOF | 0.423077 | 0.694444 |
16 | DAH | 0.42 | 0.621622 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PTR | 0.9680 |
2 | BFL | 0.9171 |
3 | SYD | 0.9084 |
4 | LC1 | 0.9011 |
5 | 20N | 0.8996 |
6 | 1OU | 0.8996 |
7 | D25 | 0.8989 |
8 | SQG | 0.8967 |
9 | HDI | 0.8957 |
10 | FZ6 | 0.8957 |
11 | M28 | 0.8947 |
12 | IBP | 0.8936 |
13 | HHB | 0.8926 |
14 | TEF | 0.8916 |
15 | F6R | 0.8912 |
16 | 8V8 | 0.8906 |
17 | 6PG | 0.8899 |
18 | W1G | 0.8896 |
19 | 3VR | 0.8892 |
20 | B15 | 0.8883 |
21 | PB2 | 0.8879 |
22 | BP5 | 0.8872 |
23 | S0J | 0.8871 |
24 | 72D | 0.8864 |
25 | EPE | 0.8863 |
26 | RYY | 0.8840 |
27 | 5TT | 0.8836 |
28 | CT0 | 0.8834 |
29 | GJG | 0.8828 |
30 | FCW | 0.8826 |
31 | RYJ | 0.8825 |
32 | PV4 | 0.8824 |
33 | U55 | 0.8820 |
34 | REG | 0.8815 |
35 | CR4 | 0.8798 |
36 | BMZ | 0.8797 |
37 | 5NR | 0.8794 |
38 | 1Q1 | 0.8777 |
39 | M25 | 0.8777 |
40 | D26 | 0.8769 |
41 | YI6 | 0.8767 |
42 | EAA | 0.8756 |
43 | VIB | 0.8754 |
44 | PHQ ALA | 0.8754 |
45 | 2L7 | 0.8751 |
46 | 35K | 0.8751 |
47 | HPK | 0.8735 |
48 | TLT | 0.8726 |
49 | NAL | 0.8725 |
50 | TFM | 0.8715 |
51 | ZAR | 0.8707 |
52 | 39R | 0.8701 |
53 | C5F | 0.8696 |
54 | RF2 | 0.8694 |
55 | J1K | 0.8692 |
56 | EZL | 0.8691 |
57 | FZ0 | 0.8688 |
58 | 4UM | 0.8687 |
59 | OLU | 0.8685 |
60 | 120 | 0.8683 |
61 | BSU | 0.8678 |
62 | 124 | 0.8675 |
63 | 0QA | 0.8658 |
64 | FTK | 0.8652 |
65 | 9F5 | 0.8641 |
66 | S62 | 0.8637 |
67 | ESJ | 0.8636 |
68 | S45 | 0.8636 |
69 | 109 | 0.8616 |
70 | AD6 | 0.8602 |
71 | SGN | 0.8601 |
72 | A4Z | 0.8601 |
73 | 8EU | 0.8599 |
74 | 4CN | 0.8587 |
75 | KWV | 0.8586 |
76 | 2OX | 0.8586 |
77 | 7ZO | 0.8577 |
78 | PTB | 0.8576 |
79 | A5K | 0.8573 |
80 | NK5 | 0.8572 |
81 | TBJ | 0.8569 |
82 | J84 | 0.8558 |
83 | PHE ALA | 0.8557 |
84 | 0UL | 0.8556 |
85 | K0G | 0.8539 |
86 | RYV | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 5n5u.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5n5u.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5n5u.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5n5u.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |