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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 31 families. | |||||
1 | 3NFZ | - | 3NF | C11 H13 N O4 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 3NFZ | - | 3NF | C11 H13 N O4 | CC(=O)N[C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 3NF | 1 | 1 |
2 | JGM | 0.625 | 0.688889 |
3 | 34H | 0.488889 | 0.6 |
4 | D0W | 0.486486 | 0.647059 |
5 | TYR | 0.478261 | 0.764706 |
6 | DTY | 0.478261 | 0.764706 |
7 | GLY TYR | 0.471698 | 0.714286 |
8 | TI2 | 0.461538 | 0.775 |
9 | VAL TYR | 0.45614 | 0.794872 |
10 | BD5 | 0.428571 | 0.72093 |
11 | TYC | 0.425532 | 0.75 |
12 | ING | 0.411765 | 0.609756 |
13 | SAC | 0.404762 | 0.657895 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 2B4 | 0.9521 |
2 | 23N | 0.9435 |
3 | LHY | 0.9408 |
4 | GLY PHE | 0.9404 |
5 | CXA | 0.9355 |
6 | CPM | 0.9314 |
7 | BZS | 0.9309 |
8 | IC9 | 0.9260 |
9 | ACE PHE | 0.9170 |
10 | ALA PHE | 0.9166 |
11 | AVO | 0.9131 |
12 | TH4 | 0.9079 |
13 | 7R4 | 0.9026 |
14 | SQY | 0.9019 |
15 | 7ZL | 0.9002 |
16 | HO6 | 0.9000 |
17 | 2PV | 0.8991 |
18 | 2PK | 0.8989 |
19 | 1A5 | 0.8989 |
20 | 7UZ | 0.8961 |
21 | IPO | 0.8955 |
22 | PHI | 0.8917 |
23 | 1ZC | 0.8917 |
24 | 1BY | 0.8913 |
25 | MUK | 0.8913 |
26 | AAG | 0.8910 |
27 | C53 | 0.8907 |
28 | N1Y | 0.8901 |
29 | C0H | 0.8900 |
30 | H75 | 0.8899 |
31 | 848 | 0.8897 |
32 | LZ5 | 0.8896 |
33 | 0OO | 0.8894 |
34 | 458 | 0.8893 |
35 | EXG | 0.8892 |
36 | ENO | 0.8876 |
37 | EBP | 0.8872 |
38 | 7QD | 0.8871 |
39 | JGB | 0.8856 |
40 | 2J5 | 0.8856 |
41 | 3IP | 0.8855 |
42 | 5VU | 0.8852 |
43 | VJJ | 0.8848 |
44 | 2UB | 0.8832 |
45 | 9B3 | 0.8799 |
46 | TZM | 0.8797 |
47 | EN1 | 0.8796 |
48 | DAH | 0.8790 |
49 | FHC | 0.8781 |
50 | KLS | 0.8776 |
51 | HLP | 0.8776 |
52 | FMQ | 0.8771 |
53 | WCU | 0.8764 |
54 | A7K | 0.8763 |
55 | 4FP | 0.8761 |
56 | 27K | 0.8756 |
57 | 4BF | 0.8754 |
58 | PFF | 0.8753 |
59 | 613 | 0.8749 |
60 | TIA | 0.8748 |
61 | 4FC | 0.8736 |
62 | SOJ | 0.8728 |
63 | 0A9 | 0.8724 |
64 | R9J | 0.8717 |
65 | CU0 | 0.8704 |
66 | 1CY | 0.8703 |
67 | 5S9 | 0.8703 |
68 | PF1 | 0.8686 |
69 | 9VZ | 0.8684 |
70 | 88R | 0.8682 |
71 | 6FR | 0.8681 |
72 | ISA | 0.8672 |
73 | MMS | 0.8669 |
74 | ZMG | 0.8669 |
75 | EQW | 0.8667 |
76 | GLY NIY | 0.8654 |
77 | 3TC | 0.8644 |
78 | MOK | 0.8632 |
79 | UM3 | 0.8619 |
80 | AX4 | 0.8617 |
81 | WLH | 0.8608 |
82 | F16 | 0.8607 |
83 | M01 | 0.8606 |
84 | BDJ | 0.8603 |
85 | 54E | 0.8598 |
86 | 2JX | 0.8594 |
87 | FPL | 0.8585 |
88 | 50C | 0.8580 |
89 | 5AD | 0.8551 |
90 | AWE | 0.8550 |
91 | 0OY | 0.8549 |
92 | D1G | 0.8541 |
93 | RVD | 0.8533 |
94 | EF2 | 0.8526 |
95 | NK5 | 0.8523 |
96 | LR2 | 0.8522 |
97 | 50Q | 0.8521 |
98 | IM4 | 0.8517 |
99 | MJ5 | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 3nfz.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3nfz.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |