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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 | 2V54 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2YOH | Ki = 11 uM | WMJ | C17 H19 N5 O7 | CC1=CN(C(=.... |
2 | 2YOF | Ki = 25 uM | 74W | C18 H18 Cl F3 N4 O4 S | CC1=CN(C(=.... |
3 | 2WWF | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
4 | 2YOG | Ki = 31 uM | 74X | C18 H18 Cl F3 N4 O4 S | CC1=CN(C(=.... |
5 | 2V54 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
6 | 4QGF | ic50 = 69 nM | 32B | C27 H30 Cl N3 O6 | CC[C@H](c1.... |
7 | 4QG7 | ic50 = 10 nM | 32K | C25 H26 Cl N3 O6 | CC1=CN(C(=.... |
8 | 4QGH | ic50 = 1 nM | 32E | C28 H31 Cl F N3 O5 | CC1=CN(C(=.... |
9 | 4GFD | Ki = 330 pM | 0YB | C29 H34 Br N3 O5 | CC1=CN(C(=.... |
10 | 2CCJ | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
11 | 2CCG | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
12 | 4HDC | ic50 = 1.2 nM | 13Y | C28 H32 Cl N3 O5 | CC1=CN(C(=.... |
13 | 4HEJ | ic50 = 24000 nM | 14D | C24 H24 F3 N3 O3 | CC1=CN(C(=.... |
14 | 4GSY | ic50 = 120 nM | 0Y5 | C25 H24 F3 N3 O5 | CC1=CN(C(=.... |
15 | 4HLC | ic50 = 174 nM | T05 | C24 H25 N3 O7 S | Cc1cccc(c1.... |
16 | 4TMK | Kd = 20 nM | T5A | C20 H30 N7 O23 P5 | CC1=CN(C(=.... |
17 | 1E2Q | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
18 | 1E9C | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
19 | 1NN0 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
20 | 1E2G | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
21 | 1NN1 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
22 | 1NMX | - | FDM | C10 H14 F N2 O7 P | CC1=CN(C(=.... |
23 | 1E2E | - | AF3 | Al F3 | F[Al](F)F |
24 | 1NN5 | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
25 | 1E9B | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
26 | 1E2D | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
27 | 1E99 | - | ATM | C10 H14 N5 O7 P | CC1=CN(C(=.... |
28 | 1NMY | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
29 | 2XX3 | - | TAE | C9 H14 N2 O8 P2 | CC1=CN(C(=.... |
30 | 1NMZ | - | NYM | C10 H16 N3 O7 P | CC1=CN(C(=.... |
31 | 1E9D | - | ATM | C10 H14 N5 O7 P | CC1=CN(C(=.... |
32 | 1NN3 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
33 | 1E9A | - | Z5A | C20 H24 N10 O22 P5 | CC1=CN(C(=.... |
34 | 1E9F | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
35 | 1E9E | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
36 | 1E98 | - | ATM | C10 H14 N5 O7 P | CC1=CN(C(=.... |
37 | 1E2F | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
38 | 2TMK | - | ATM | C10 H14 N5 O7 P | CC1=CN(C(=.... |
39 | 3TMK | Kd = 135 nM | T5A | C20 H30 N7 O23 P5 | CC1=CN(C(=.... |
40 | 1TMK | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
41 | 5X8C | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
42 | 5ZB4 | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
43 | 5ZAX | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
44 | 5X86 | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
45 | 5X8B | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
46 | 3UWO | ic50 = 0.44 uM | 0DJ | C14 H12 N4 O2 | CN1c2cc(cn.... |
47 | 3UXM | ic50 = 20 uM | 0DN | C10 H13 F N2 O4 | CC1=CN(C(=.... |
48 | 5UIV | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
49 | 5XB2 | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
50 | 5XB3 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
51 | 5XAI | - | TMP | C10 H15 N2 O8 P | CC1=CN(C(=.... |
52 | 5H56 | - | TYD | C10 H16 N2 O11 P2 | CC1=CN(C(=.... |
53 | 5H5B | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
54 | 5H5K | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TYD | 1 | 1 |
2 | TTP | 0.884058 | 1 |
3 | TMP | 0.80597 | 0.985714 |
4 | TLO | 0.716049 | 0.945205 |
5 | TTP MG | 0.701299 | 0.943662 |
6 | DAU | 0.694118 | 0.932432 |
7 | 9RC | 0.686747 | 0.829268 |
8 | 1JB | 0.682353 | 0.932432 |
9 | TRH | 0.682353 | 0.932432 |
10 | 18T | 0.682353 | 0.932432 |
11 | 3R2 | 0.682353 | 0.92 |
12 | TDX | 0.682353 | 0.945205 |
13 | ATY | 0.670886 | 0.945205 |
14 | T3Q | 0.666667 | 0.907895 |
15 | DWN | 0.666667 | 0.907895 |
16 | 3YN | 0.666667 | 0.932432 |
17 | T3F | 0.666667 | 0.907895 |
18 | TBD | 0.662338 | 0.958904 |
19 | T46 | 0.659091 | 0.932432 |
20 | 0N2 | 0.659091 | 0.896104 |
21 | AZD | 0.654321 | 0.907895 |
22 | MMF | 0.651685 | 0.907895 |
23 | 0FX | 0.651685 | 0.907895 |
24 | THM | 0.641791 | 0.873239 |
25 | LLT | 0.641791 | 0.873239 |
26 | QDM | 0.637363 | 0.896104 |
27 | JHZ | 0.630435 | 0.884615 |
28 | AKM | 0.630435 | 0.886076 |
29 | FNF | 0.630435 | 0.92 |
30 | 1YF | 0.630435 | 0.92 |
31 | 4TG | 0.623656 | 0.92 |
32 | DUD | 0.61039 | 0.957143 |
33 | 0DN | 0.6 | 0.833333 |
34 | UFP | 0.6 | 0.905405 |
35 | QUH | 0.58 | 0.907895 |
36 | FUH | 0.58 | 0.907895 |
37 | T5A | 0.572816 | 0.841463 |
38 | BRU | 0.571429 | 0.905405 |
39 | 5HU | 0.571429 | 0.971831 |
40 | FDM | 0.564103 | 0.918919 |
41 | 5IU | 0.564103 | 0.905405 |
42 | NYM | 0.564103 | 0.958333 |
43 | T3P | 0.56 | 0.943662 |
44 | THP | 0.556962 | 0.971429 |
45 | ATM | 0.542169 | 0.894737 |
46 | D3T | 0.542169 | 0.971831 |
47 | DUT | 0.542169 | 0.957143 |
48 | 3DR DT DT DT DT DT | 0.540816 | 0.905405 |
49 | TXS | 0.538462 | 0.789474 |
50 | YYY | 0.536585 | 0.891892 |
51 | T3S | 0.525 | 0.789474 |
52 | BVP | 0.52381 | 0.944444 |
53 | ABT | 0.521739 | 0.884615 |
54 | D4D | 0.506024 | 0.928571 |
55 | TQP | 0.504274 | 0.864198 |
56 | 7SG | 0.504274 | 0.864198 |
57 | 2DT | 0.5 | 0.957747 |
58 | T4K | 0.5 | 0.853659 |
59 | DT ME6 DT | 0.5 | 0.87013 |
60 | T5K | 0.5 | 0.853659 |
61 | TPE | 0.5 | 0.894737 |
62 | 4TA | 0.486486 | 0.807229 |
63 | DCP | 0.477273 | 0.891892 |
64 | 8DD | 0.473118 | 0.8125 |
65 | UMP | 0.469136 | 0.942857 |
66 | AZZ | 0.469136 | 0.779221 |
67 | DU | 0.469136 | 0.942857 |
68 | 8GD | 0.467391 | 0.829268 |
69 | 5CM | 0.458824 | 0.918919 |
70 | F6G | 0.455556 | 0.855263 |
71 | WMJ | 0.452632 | 0.761905 |
72 | D4T | 0.449438 | 0.928571 |
73 | DUP | 0.449438 | 0.930556 |
74 | 6U4 | 0.447917 | 0.848101 |
75 | ADS THS THS THS | 0.444444 | 0.758621 |
76 | DDN | 0.439024 | 0.942857 |
77 | 3DT | 0.428571 | 0.835616 |
78 | UC5 | 0.425287 | 0.943662 |
79 | ID2 | 0.423077 | 0.8 |
80 | DT MA7 DT | 0.420635 | 0.797619 |
81 | 8DG | 0.418367 | 0.829268 |
82 | DUT MG | 0.417582 | 0.901408 |
83 | DUN | 0.41573 | 0.930556 |
84 | O5W | 0.411765 | 0.821429 |
85 | 5GW | 0.410526 | 0.878378 |
86 | DCM | 0.406977 | 0.878378 |
87 | DC | 0.406977 | 0.878378 |
88 | BUP | 0.402174 | 0.842105 |
89 | 74X | 0.4 | 0.732558 |
90 | D4M | 0.4 | 0.914286 |
91 | 74W | 0.4 | 0.732558 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | UDP | 0.9699 |
2 | CDP | 0.9611 |
3 | GDP | 0.9414 |
4 | CDP MG | 0.9413 |
5 | ADP | 0.9340 |
6 | DAT | 0.9300 |
7 | DGI | 0.9247 |
8 | UDP UDP | 0.9200 |
9 | ADX | 0.9182 |
10 | ADP MG | 0.9170 |
11 | M33 | 0.9169 |
12 | IDP | 0.9166 |
13 | AN2 | 0.9163 |
14 | CA0 | 0.9151 |
15 | GNH | 0.9138 |
16 | CUU | 0.9101 |
17 | AP2 | 0.9086 |
18 | A12 | 0.9086 |
19 | GCQ | 0.9079 |
20 | 0RC | 0.9061 |
21 | M7G | 0.9023 |
22 | G8D | 0.9005 |
23 | QBT | 0.8918 |
24 | FZQ | 0.8779 |
25 | 7XL | 0.8744 |
26 | DCP MG | 0.8710 |
27 | UTP | 0.8698 |
28 | C | 0.8676 |
29 | CTP | 0.8658 |
30 | C5P | 0.8626 |
31 | U5P | 0.8621 |
32 | AMP | 0.8615 |
33 | CAR | 0.8608 |
34 | 523 | 0.8608 |
35 | UP6 | 0.8582 |
36 | 9L3 | 0.8571 |
37 | 2KH | 0.8564 |
38 | H2U | 0.8554 |
39 | DOC | 0.8546 |
40 | FN5 | 0.8545 |
This union binding pocket(no: 1) in the query (biounit: 2v54.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2v54.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |