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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 6 families. | |||||
1 | 3EWZ | ic50 = 79 uM | CNU | C10 H12 N3 O9 P | C1=C(C(=O).... |
2 | 3EX2 | ic50 ~ 200 uM | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
3 | 2QCG | - | 5BU | C9 H12 Br N2 O9 P | C1=C(C(=O).... |
4 | 3MI2 | Ki = 0.00000079 M | PFU | C9 H14 N3 O9 P | C([C@@H]1[.... |
5 | 3L0N | ic50 = 1680 uM | S5P | C9 H13 N2 O9 P S | C1=C(N(C(=.... |
6 | 2QCL | - | OMP | C10 H13 N2 O11 P | C1=C(N(C(=.... |
7 | 3L0K | ic50 = 24 uM | 6AU | C11 H15 N2 O10 P | CC(=O)C1=C.... |
8 | 3EWY | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
9 | 3EX1 | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
10 | 3EX4 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
11 | 2QCF | - | 5FU | C9 H12 F N2 O9 P | C1=C(C(=O).... |
12 | 2QCM | - | JW5 | C10 H15 N2 O10 P | C1=C(N(C(=.... |
13 | 2QCH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 3EWX | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
15 | 4HKP | - | TKW | C9 H14 N3 O9 P | C1=C(C(=NC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3EWZ | ic50 = 79 uM | CNU | C10 H12 N3 O9 P | C1=C(C(=O).... |
2 | 3EX2 | ic50 ~ 200 uM | 6CN | C10 H12 N3 O9 P | C1=C(N(C(=.... |
3 | 2QCG | - | 5BU | C9 H12 Br N2 O9 P | C1=C(C(=O).... |
4 | 3MI2 | Ki = 0.00000079 M | PFU | C9 H14 N3 O9 P | C([C@@H]1[.... |
5 | 3L0N | ic50 = 1680 uM | S5P | C9 H13 N2 O9 P S | C1=C(N(C(=.... |
6 | 2QCL | - | OMP | C10 H13 N2 O11 P | C1=C(N(C(=.... |
7 | 3L0K | ic50 = 24 uM | 6AU | C11 H15 N2 O10 P | CC(=O)C1=C.... |
8 | 3EWY | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
9 | 3EX1 | - | U5P | C9 H13 N2 O9 P | C1=CN(C(=O.... |
10 | 3EX4 | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
11 | 2QCF | - | 5FU | C9 H12 F N2 O9 P | C1=C(C(=O).... |
12 | 2QCM | - | JW5 | C10 H15 N2 O10 P | C1=C(N(C(=.... |
13 | 2QCH | - | UMP | C9 H13 N2 O8 P | C1[C@@H]([.... |
14 | 3EWX | - | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
15 | 1DQX | Ki = 9 pM | BMP | C9 H13 N2 O10 P | C1=C(N(C(=.... |
16 | 3GDT | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
17 | 3GDL | - | UP6 | C8 H12 N3 O9 P | C1=NN(C(=O.... |
18 | 4HKP | - | TKW | C9 H14 N3 O9 P | C1=C(C(=NC.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AMZ | 0.9932 |
2 | C2R | 0.9788 |
3 | AMP | 0.9673 |
4 | UP6 | 0.9644 |
5 | U | 0.9630 |
6 | U5P | 0.9599 |
7 | C | 0.9563 |
8 | O7E | 0.9535 |
9 | BMP | 0.9532 |
10 | C5P | 0.9532 |
11 | TKW | 0.9520 |
12 | IMP | 0.9499 |
13 | NIA | 0.9492 |
14 | 5FU | 0.9485 |
15 | NUP | 0.9467 |
16 | BMQ | 0.9466 |
17 | 5BU | 0.9460 |
18 | H2U | 0.9452 |
19 | UMP | 0.9436 |
20 | MZP | 0.9403 |
21 | FNU | 0.9390 |
22 | DA | 0.9381 |
23 | 5GP | 0.9366 |
24 | 45A | 0.9352 |
25 | PSU | 0.9349 |
26 | 16B | 0.9348 |
27 | U6M | 0.9337 |
28 | S5P | 0.9319 |
29 | 5IU | 0.9270 |
30 | DCM | 0.9261 |
31 | DUS | 0.9253 |
32 | DC | 0.9247 |
33 | DU | 0.9242 |
34 | FN5 | 0.9228 |
35 | 6MA | 0.9218 |
36 | 5CM | 0.9209 |
37 | TMP | 0.9208 |
38 | 8OP | 0.9208 |
39 | UFP | 0.9207 |
40 | D5M | 0.9206 |
41 | QBT | 0.9197 |
42 | BRU | 0.9193 |
43 | LMS | 0.9183 |
44 | G | 0.9182 |
45 | JLN | 0.9177 |
46 | DDN | 0.9165 |
47 | 9L3 | 0.9163 |
48 | AMP MG | 0.9163 |
49 | ABM | 0.9161 |
50 | JW5 | 0.9151 |
51 | CNU | 0.9149 |
52 | RVP | 0.9144 |
53 | SRA | 0.9136 |
54 | IRP | 0.9136 |
55 | 6CN | 0.9125 |
56 | DI | 0.9123 |
57 | 6MZ | 0.9122 |
58 | XMP | 0.9120 |
59 | U4S | 0.9116 |
60 | NMN | 0.9106 |
61 | CAR | 0.9105 |
62 | N5O | 0.9103 |
63 | NEC | 0.9102 |
64 | AS | 0.9088 |
65 | 6RE | 0.9080 |
66 | UMC | 0.9066 |
67 | NCN | 0.9060 |
68 | DOC | 0.9040 |
69 | ICR | 0.9028 |
70 | AOC | 0.9023 |
71 | CH | 0.9011 |
72 | 5HU | 0.9010 |
73 | DG | 0.8986 |
74 | 6OG | 0.8980 |
75 | J7C | 0.8969 |
76 | 93A | 0.8961 |
77 | 7D5 | 0.8961 |
78 | FDM | 0.8960 |
79 | EO7 | 0.8943 |
80 | ZAS | 0.8939 |
81 | 2DT | 0.8933 |
82 | D4M | 0.8933 |
83 | A3N | 0.8931 |
84 | DGP | 0.8920 |
85 | IMU | 0.8917 |
86 | NYM | 0.8908 |
87 | MTA | 0.8891 |
88 | FAI | 0.8887 |
89 | 5HM | 0.8886 |
90 | 6CG | 0.8886 |
91 | PRX | 0.8885 |
92 | 71V | 0.8883 |
93 | 8BR | 0.8872 |
94 | AIR | 0.8807 |
95 | 8GM | 0.8793 |
96 | T3S | 0.8783 |
97 | G7M | 0.8774 |
98 | 6AU | 0.8765 |
99 | ATM | 0.8765 |
100 | OMP | 0.8750 |
101 | Z8B | 0.8732 |
102 | ADP | 0.8701 |
103 | 8OG | 0.8698 |
104 | GAR | 0.8693 |
105 | 2OM | 0.8649 |
106 | CA0 | 0.8602 |
This union binding pocket(no: 1) in the query (biounit: 3mi2.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3mi2.bio1) has 47 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |