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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 21 families. | |||||
1 | 2XJ7 | Kd = 246 nM | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
2 | 2WZH | - | NGO | C8 H14 N O5 | CC1=[NH+][.... |
3 | 4AIU | - | GC3 | C8 H13 N O6 | C([C@@H]1[.... |
4 | 2VVS | Ki = 46 nM | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
5 | 2W66 | Ki = 89 uM | HQ6 | C9 H18 N2 O5 | CC(=O)N[C@.... |
6 | 2X0H | - | 14T | C14 H15 F4 N O6 | c1cc(c(cc1.... |
7 | 5ABG | Ki = 9 nM | V0N | C17 H25 F N2 O4 | CNC(=O)C[C.... |
8 | 4AIS | - | GOA | C2 H4 O3 | C(C(=O)O)O |
9 | 2XM1 | Kd = 8.5 uM | LTM | C8 H14 N2 O5 | CC(=O)N[C@.... |
10 | 2W4X | Kd = 14 uM | STZ | C8 H15 N3 O7 | CN(C(=O)N[.... |
11 | 4UR9 | Kd = 3.1 mM | BK9 | C10 H10 N2 O | CCOc1c2ccc.... |
12 | 2WCA | - | NP6 | C17 H23 N3 O7 | CCCC(=O)N[.... |
13 | 2VVN | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
14 | 5ABE | Ki = 890 uM | XQO | C13 H26 N2 O4 | CCCCCN1[C@.... |
15 | 2J4G | Ki = 0.25 uM | NB1 | C10 H17 N O4 S | CCCC1=N[C@.... |
16 | 5MI7 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
17 | 5MI5 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
18 | 2WZI | - | 5FN | C8 H12 F N O5 | CC1=N[C@@H.... |
19 | 2JIW | - | BEU | C9 H16 N2 O4 | CC(=O)N[C@.... |
20 | 2W67 | Ki = 11 uM | F34 | C8 H16 N2 O4 | CC(=O)N[C@.... |
21 | 5ABH | Ki = 1.7 nM | YWN | C13 H26 N2 O4 | CCCCCN1[C@.... |
22 | 2XM2 | Ki = 24 uM | LOG | C8 H14 N2 O6 | CC(=O)N[C@.... |
23 | 5MI6 | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
24 | 2J47 | Ki = 3.9 uM | GDV | C17 H21 N4 O5 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 16 families. | |||||
1 | 2XJ7 | Kd = 246 nM | GC2 | C10 H18 N2 O4 | CC(=O)N[C@.... |
2 | 2WZH | - | NGO | C8 H14 N O5 | CC1=[NH+][.... |
3 | 4AIU | - | GC3 | C8 H13 N O6 | C([C@@H]1[.... |
4 | 2VVS | Ki = 46 nM | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
5 | 2W66 | Ki = 89 uM | HQ6 | C9 H18 N2 O5 | CC(=O)N[C@.... |
6 | 2X0H | - | 14T | C14 H15 F4 N O6 | c1cc(c(cc1.... |
7 | 5ABG | Ki = 9 nM | V0N | C17 H25 F N2 O4 | CNC(=O)C[C.... |
8 | 4AIS | - | GOA | C2 H4 O3 | C(C(=O)O)O |
9 | 2XM1 | Kd = 8.5 uM | LTM | C8 H14 N2 O5 | CC(=O)N[C@.... |
10 | 2W4X | Kd = 14 uM | STZ | C8 H15 N3 O7 | CN(C(=O)N[.... |
11 | 4UR9 | Kd = 3.1 mM | BK9 | C10 H10 N2 O | CCOc1c2ccc.... |
12 | 2WCA | - | NP6 | C17 H23 N3 O7 | CCCC(=O)N[.... |
13 | 2VVN | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
14 | 5ABE | Ki = 890 uM | XQO | C13 H26 N2 O4 | CCCCCN1[C@.... |
15 | 2J4G | Ki = 0.25 uM | NB1 | C10 H17 N O4 S | CCCC1=N[C@.... |
16 | 5MI7 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
17 | 5MI5 | - | OAN | C15 H19 N3 O7 | CC(=O)N[C@.... |
18 | 2WZI | - | 5FN | C8 H12 F N O5 | CC1=N[C@@H.... |
19 | 2JIW | - | BEU | C9 H16 N2 O4 | CC(=O)N[C@.... |
20 | 2W67 | Ki = 11 uM | F34 | C8 H16 N2 O4 | CC(=O)N[C@.... |
21 | 5ABH | Ki = 1.7 nM | YWN | C13 H26 N2 O4 | CCCCCN1[C@.... |
22 | 2XM2 | Ki = 24 uM | LOG | C8 H14 N2 O6 | CC(=O)N[C@.... |
23 | 5MI6 | - | NHT | C9 H16 N2 O4 S | CCNC1=N[C@.... |
24 | 2J47 | Ki = 3.9 uM | GDV | C17 H21 N4 O5 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BEU | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NAG | 0.9950 |
2 | GDL | 0.9752 |
3 | NDG | 0.9748 |
4 | NGA | 0.9697 |
5 | MAG | 0.9679 |
6 | LTM | 0.9596 |
7 | SNG | 0.9571 |
8 | HQ6 | 0.9546 |
9 | NOK | 0.9501 |
10 | LOG | 0.9481 |
11 | F34 | 0.9429 |
12 | BNX | 0.9422 |
13 | BM3 | 0.9360 |
14 | BBK | 0.9321 |
15 | A2G | 0.9308 |
16 | TNX | 0.9266 |
17 | EPR | 0.9250 |
18 | IFG | 0.9149 |
19 | NGT | 0.9143 |
20 | 57O | 0.9102 |
21 | NGW | 0.9099 |
22 | DJN | 0.9095 |
23 | BGN | 0.9086 |
24 | HHT | 0.9075 |
25 | 2CZ | 0.9068 |
26 | GC2 | 0.9044 |
27 | 327 | 0.9022 |
28 | GC3 | 0.8998 |
29 | NGO | 0.8984 |
30 | 5FN | 0.8968 |
31 | ZZZ | 0.8955 |
32 | NSG | 0.8953 |
33 | W81 | 0.8933 |
34 | ZPF | 0.8926 |
35 | PQZ | 0.8889 |
36 | NFM | 0.8856 |
37 | GNL | 0.8832 |
38 | PMP | 0.8831 |
39 | 1BW | 0.8819 |
40 | PXP | 0.8819 |
41 | PLP | 0.8819 |
42 | X04 | 0.8817 |
43 | K82 | 0.8817 |
44 | MP5 | 0.8815 |
45 | H4B | 0.8810 |
46 | IAC | 0.8804 |
47 | PZP | 0.8792 |
48 | 3XR | 0.8791 |
49 | 94B | 0.8765 |
50 | 948 | 0.8761 |
51 | G6P | 0.8740 |
52 | NOJ | 0.8737 |
53 | MIG | 0.8736 |
54 | SBK | 0.8736 |
55 | S24 | 0.8726 |
56 | NLA | 0.8726 |
57 | BGC | 0.8708 |
58 | NHT | 0.8704 |
59 | SIZ | 0.8700 |
60 | GLC | 0.8700 |
61 | X1P | 0.8694 |
62 | 61M | 0.8688 |
63 | 15N | 0.8688 |
64 | CIT | 0.8678 |
65 | CIP | 0.8672 |
66 | F5C | 0.8667 |
67 | NZ9 | 0.8664 |
68 | MAN | 0.8660 |
69 | BHS | 0.8639 |
70 | NHG | 0.8637 |
71 | 6FZ | 0.8629 |
72 | SOE | 0.8627 |
73 | GLF | 0.8615 |
74 | IFL | 0.8608 |
75 | 2L3 | 0.8598 |
76 | GYP | 0.8595 |
77 | TAG | 0.8591 |
78 | AFR | 0.8581 |
79 | 94E | 0.8572 |
80 | NB1 | 0.8567 |
81 | JVS | 0.8566 |
82 | 8S0 | 0.8559 |
83 | 3RI | 0.8544 |
84 | NVU | 0.8544 |
85 | SDD | 0.8543 |
86 | GCB | 0.8537 |
87 | IOP | 0.8531 |
88 | 2JX | 0.8530 |
89 | CG | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 5abh.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |