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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 3 families. | |||||
1 | 4ZT4 | - | 4RO | C16 H15 Cl2 F2 N5 | c1cc2c(nc1.... |
2 | 4MW1 | - | 44F | C16 H20 Cl N3 O2 S | COc1cc(cc(.... |
3 | 4MWE | - | 2EN | C21 H26 Cl N3 O2 S | C=CCc1cc(c.... |
4 | 4ZT5 | - | 4RN | C17 H19 Cl2 N5 | C[C@@H](CN.... |
5 | 4ZT7 | - | 4RC | C18 H19 Cl2 F N6 | c1cc(nc2c1.... |
6 | 4MVY | - | 387 | C17 H19 Cl2 N3 O2 | c1cc(cc(c1.... |
7 | 5J59 | ic50 < 50 nM | N93 | C16 H16 Cl3 N5 | CN(CCNCc1c.... |
8 | 4MWB | - | 2EK | C13 H15 Cl2 N3 O S2 | c1cscc1NC(.... |
9 | 5V49 | ic50 < 50 nM | 8WA | C18 H19 Cl3 N6 | CN(CCN[C@@.... |
10 | 4MW0 | - | 392 | C17 H19 Cl2 N3 O2 | c1ccc(c(c1.... |
11 | 4MW5 | - | 415 | C18 H22 Cl N3 O2 | COc1cc(cc(.... |
12 | 4ZT6 | - | 4RD | C18 H18 Cl2 F N5 O | c1cc(nc2c1.... |
13 | 4MW4 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
14 | 4MW2 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
15 | 4MWD | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
16 | 3KFL | - | ME8 | C15 H23 N6 O8 P S | CSCC[C@@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2X1L | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
2 | 4ZT4 | - | 4RO | C16 H15 Cl2 F2 N5 | c1cc2c(nc1.... |
3 | 4MW1 | - | 44F | C16 H20 Cl N3 O2 S | COc1cc(cc(.... |
4 | 4MWE | - | 2EN | C21 H26 Cl N3 O2 S | C=CCc1cc(c.... |
5 | 4ZT5 | - | 4RN | C17 H19 Cl2 N5 | C[C@@H](CN.... |
6 | 4ZT7 | - | 4RC | C18 H19 Cl2 F N6 | c1cc(nc2c1.... |
7 | 4MVY | - | 387 | C17 H19 Cl2 N3 O2 | c1cc(cc(c1.... |
8 | 5J59 | ic50 < 50 nM | N93 | C16 H16 Cl3 N5 | CN(CCNCc1c.... |
9 | 4MWB | - | 2EK | C13 H15 Cl2 N3 O S2 | c1cscc1NC(.... |
10 | 5V49 | ic50 < 50 nM | 8WA | C18 H19 Cl3 N6 | CN(CCN[C@@.... |
11 | 4MW0 | - | 392 | C17 H19 Cl2 N3 O2 | c1ccc(c(c1.... |
12 | 4MW5 | - | 415 | C18 H22 Cl N3 O2 | COc1cc(cc(.... |
13 | 4ZT6 | - | 4RD | C18 H18 Cl2 F N5 O | c1cc(nc2c1.... |
14 | 4MW4 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
15 | 4MW2 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
16 | 4MWD | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
17 | 5K0S | ic50 = 0.006 uM | 0OU | C19 H19 Cl2 N3 O | c1ccc2c(c1.... |
18 | 4PY2 | ic50 = 0.272 uM | 43E | C15 H17 Cl2 N3 O S | c1cscc1NC(.... |
19 | 5XET | - | ME8 | C15 H23 N6 O8 P S | CSCC[C@@H].... |
20 | 3KFL | - | ME8 | C15 H23 N6 O8 P S | CSCC[C@@H].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MED | 1 | 1 |
2 | MET | 1 | 1 |
3 | DBB | 0.518519 | 0.655172 |
4 | ABA | 0.518519 | 0.655172 |
5 | 2FM | 0.514286 | 0.666667 |
6 | MF3 | 0.5 | 0.647059 |
7 | NVA | 0.5 | 0.758621 |
8 | HSE | 0.466667 | 0.617647 |
9 | DAB | 0.466667 | 0.636364 |
10 | MHO | 0.457143 | 0.717949 |
11 | SME | 0.457143 | 0.717949 |
12 | HCS | 0.451613 | 0.733333 |
13 | API | 0.451613 | 0.606061 |
14 | CDT | 0.447368 | 0.756757 |
15 | 2MM | 0.444444 | 0.657143 |
16 | NLE | 0.441176 | 0.766667 |
17 | ONL | 0.441176 | 0.71875 |
18 | UN1 | 0.428571 | 0.606061 |
19 | 11C | 0.428571 | 0.606061 |
20 | MSE | 0.428571 | 0.9 |
21 | DGL | 0.424242 | 0.625 |
22 | GGL | 0.424242 | 0.625 |
23 | GLU | 0.424242 | 0.625 |
24 | CBH | 0.418605 | 0.685714 |
25 | ORN | 0.411765 | 0.65625 |
26 | FME | 0.410256 | 0.84375 |
27 | AME | 0.410256 | 0.771429 |
28 | LEU | 0.40625 | 0.666667 |
29 | JM6 | 0.4 | 0.7 |
30 | CYS | 0.4 | 0.666667 |
31 | DCY | 0.4 | 0.666667 |
32 | C2N | 0.4 | 0.633333 |
This union binding pocket(no: 1) in the query (biounit: 5v49.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1IID | NHM | 1.4218 |
2 | 5DK4 | 5BX | 1.51976 |
3 | 5DK4 | ATP | 1.51976 |
4 | 3ABA | FLI | 1.73697 |
5 | 5VLQ | ANP | 2.02952 |
6 | 3VSV | XYS | 2.58303 |
7 | 3C8Z | 5CA | 2.657 |
8 | 4I8P | NAD | 2.69231 |
9 | 3EWR | APR | 2.97619 |
10 | 5GUE | GGS | 3.02115 |
11 | 5JBX | MLI | 3.06513 |
12 | 1I1N | SAH | 3.09735 |
13 | 4LY9 | 1YY | 3.13653 |
14 | 4LRL | TTP | 3.13653 |
15 | 6B2M | COA | 3.14685 |
16 | 5XJD | 87L | 3.18182 |
17 | 4PTN | PYR | 3.207 |
18 | 4KWD | JF2 | 3.50318 |
19 | 3FWN | ATR | 3.54167 |
20 | 3FWN | 6PG | 3.54167 |
21 | 3LU1 | UD2 | 3.57143 |
22 | 1RV0 | NDG | 3.75 |
23 | 4OAR | 2S0 | 3.87597 |
24 | 4ONQ | SFG | 3.92157 |
25 | 5IXK | 6EW | 3.94737 |
26 | 4JWJ | SAH | 3.9604 |
27 | 1ME8 | RVP | 3.97614 |
28 | 4R57 | ACO | 3.97727 |
29 | 1GZ4 | ATP | 4.05904 |
30 | 2OYS | FMN | 4.05904 |
31 | 5FAG | PPI | 4.14634 |
32 | 3A4T | SFG | 4.37956 |
33 | 5ECP | JAA | 4.4843 |
34 | 5ECP | MET | 4.4843 |
35 | 3IPQ | 965 | 4.59364 |
36 | 1BZY | IMU | 4.60829 |
37 | 4MFL | MFK | 4.63768 |
38 | 1N46 | PFA | 4.65116 |
39 | 2CHT | TSA | 4.72441 |
40 | 6FK3 | PPI | 5.71956 |
41 | 1SAY | PYR | 5.81717 |
42 | 2RHO | GSP | 5.84615 |
43 | 2CYC | TYR | 5.86667 |
44 | 5WS9 | AMP | 5.89474 |
45 | 5UWA | 8ND | 5.91133 |
46 | 1JG3 | ADN | 5.95745 |
47 | 3GKJ | HC3 | 6.03448 |
48 | 4NJH | SAM | 6.08696 |
49 | 4NJH | 2K8 | 6.08696 |
50 | 5D63 | FUC GLA GLA | 6.14334 |
51 | 1SQL | GUN | 6.16438 |
52 | 2C29 | DQH | 6.23145 |
53 | 5H5F | SAM | 6.41026 |
54 | 5L92 | C0R | 6.58537 |
55 | 5L92 | MLA | 6.58537 |
56 | 5XNC | MTA | 7.01107 |
57 | 2PS1 | PRP | 7.07965 |
58 | 2PS1 | ORO | 7.07965 |
59 | 1W5F | G2P | 7.08215 |
60 | 4OIV | XX9 | 7.52212 |
61 | 2CYB | TYR | 7.73994 |
62 | 5YW5 | ADE | 7.82123 |
63 | 1HBK | MYR | 7.86517 |
64 | 5N5U | AMP | 7.96178 |
65 | 3FUU | ADN | 8.11808 |
66 | 3ZIU | LSS | 8.30258 |
67 | 1EXF | GLY | 9.09091 |
68 | 5L7G | 6QE | 9.18033 |
69 | 2A8Y | MTA | 9.25926 |
70 | 1MGP | PLM | 9.26518 |
71 | 3KFC | 61X | 9.48617 |
72 | 5EXE | 5SR | 9.55414 |
73 | 3COW | 52H | 9.63455 |
74 | 5B4B | LP5 | 10.8871 |
75 | 3ZLR | X0B | 12.0253 |
76 | 2V0C | LEU LMS | 13.4686 |
77 | 2DX7 | CIT | 13.5965 |
78 | 1ZGA | HMK | 14.2857 |
79 | 3KPB | SAM | 15.5738 |
80 | 4A91 | GLU | 15.7718 |
81 | 3O5N | BR0 | 16.0714 |
82 | 1OFU | GDP | 16.875 |
83 | 1JZS | MRC | 20.8487 |
84 | 1M2Z | DEX | 23.8095 |
This union binding pocket(no: 2) in the query (biounit: 5v49.bio2) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5ZDK | ATP | 1.10701 |
2 | 5Y0T | TAT | 1.17647 |
3 | 4UCI | ADN | 1.20482 |
4 | 1PIG | GLC GLC | 1.41129 |
5 | 5WXU | FLC | 1.46138 |
6 | 5HV7 | RBL | 1.83486 |
7 | 5VLQ | ANP | 2.02952 |
8 | 3E5P | PPI | 2.15633 |
9 | 5Y0N | ATP | 2.29885 |
10 | 5OSW | AE4 | 2.39852 |
11 | 5Y0Q | APC | 2.53456 |
12 | 3VSV | XYS | 2.58303 |
13 | 3C8Z | 5CA | 2.657 |
14 | 5HYR | EST | 2.71318 |
15 | 4MGD | 27N | 2.7451 |
16 | 2JHP | GUN | 2.76753 |
17 | 3DOO | SKM | 2.88809 |
18 | 4RW3 | SHV | 2.98013 |
19 | 4UBS | DIF | 3.05344 |
20 | 5JBX | MLI | 3.06513 |
21 | 5XJD | 87L | 3.18182 |
22 | 4MAF | ADX | 3.21782 |
23 | 2R4V | GSH | 3.23887 |
24 | 6FLZ | MMA | 3.47222 |
25 | 4MGA | 27L | 3.52941 |
26 | 4TV1 | 36M | 3.58566 |
27 | 3IX1 | NFM | 3.64238 |
28 | 2PID | YSA | 3.65169 |
29 | 2Z49 | AMG | 3.7037 |
30 | 2Z48 | A2G | 3.7037 |
31 | 1RV0 | NDG | 3.75 |
32 | 1ZGS | XMM | 3.80313 |
33 | 4PEG | 5GP | 3.88889 |
34 | 2GPT | SKM | 4.0153 |
35 | 5FAG | PPI | 4.14634 |
36 | 1NC2 | DOE | 4.18605 |
37 | 1VJE | MSE | 4.21687 |
38 | 1J09 | GLU | 4.2735 |
39 | 1J09 | ATP | 4.2735 |
40 | 2X3F | APC | 4.5614 |
41 | 2Z8G | GLC GLC BGC | 4.61255 |
42 | 3LM9 | ADP | 4.63576 |
43 | 1A8U | BEZ | 4.69314 |
44 | 4OKS | 2T9 | 5.17241 |
45 | 3AFH | GSU | 5.32787 |
46 | 4AG9 | COA | 5.45455 |
47 | 2HK9 | SKM | 5.45455 |
48 | 1VLH | PNS | 5.78035 |
49 | 1SQL | GUN | 6.16438 |
50 | 1R6U | TYM | 6.17849 |
51 | 5LX9 | OLB | 6.18893 |
52 | 2HHP | FLC | 6.41509 |
53 | 1R6T | TYM | 6.49895 |
54 | 3R9C | ECL | 6.69856 |
55 | 5X3D | 7XL | 6.875 |
56 | 2PS1 | ORO | 7.07965 |
57 | 1V47 | ADX | 7.44986 |
58 | 2CYB | TYR | 7.73994 |
59 | 5YW5 | ADE | 7.82123 |
60 | 5N5U | AMP | 7.96178 |
61 | 3ZIU | LSS | 8.30258 |
62 | 5HWV | MBN | 8.46154 |
63 | 1EXF | GLY | 9.09091 |
64 | 3GUZ | PAF | 9.09091 |
65 | 1T0S | BML | 9.30233 |
66 | 3COW | 52H | 9.63455 |
67 | 4Y4V | DAL | 10.6195 |
68 | 1APZ | ASP | 10.6383 |
69 | 1K4M | NAD | 10.7981 |
70 | 5TVA | AMP | 10.8333 |
71 | 2V0C | LEU LMS | 13.4686 |
72 | 5ZQ4 | AMP | 14.1026 |
73 | 4A91 | GLU | 15.7718 |
74 | 4J75 | TYM | 18.0929 |
75 | 2QTR | NXX | 19.0476 |
76 | 1JZS | MRC | 20.8487 |
77 | 5ABU | GTG | 21.4286 |
78 | 1M2Z | BOG | 23.8095 |