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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 5 families. | |||||
1 | 5CR5 | ic50 = 2 uM | EL1 | C24 H24 Br N3 O5 S2 | CNC(=O)c1c.... |
2 | 1KT8 | - | ILP | C14 H23 N2 O7 P | CC[C@H](C).... |
3 | 5BWR | ic50 = 25 uM | 4VT | C14 H10 N4 O | c1ccc(cc1).... |
4 | 5I5W | ic50 = 1 mM | 68B | C11 H9 N3 O | c1ccc(cc1).... |
5 | 5I5S | - | NVU | C9 H7 N O3 | c1ccc2c(c1.... |
6 | 5BWW | ic50 = 0.5 uM | 4W6 | C16 H19 N5 O2 | CCCC1=CC(=.... |
7 | 5I5U | - | 67Y | C12 H15 N O2 | c1ccc2c(c1.... |
8 | 5I5Y | ic50 = 1 uM | 68D | C16 H13 N3 O4 S | Cc1c2c(sc1.... |
9 | 5I60 | ic50 = 0.00000001 M | 67W | C18 H15 N3 O3 | c1ccc(c(c1.... |
10 | 5BWX | ic50 = 16 nM | 4W4 | C18 H17 Cl F N5 O | CCCCC1=CC(.... |
11 | 5I5V | ic50 = 63 uM | 68A | C9 H8 N2 O3 S | Cc1c2c(sc1.... |
12 | 5BWV | ic50 = 79 nM | 775 | C17 H16 Cl N5 O | CCCC1=CC(=.... |
13 | 5HNE | ic50 = 50 nM | EL2 | C25 H24 Br N5 O2 S | CNC(=O)c1c.... |
14 | 5BWU | ic50 = 0.63 uM | 4VR | C15 H16 Br N5 O | CCCC1=CC(=.... |
15 | 2HDK | Kd = 6.1 mM | COI | C6 H10 O3 | CC(C)CC(=O.... |
16 | 2A1H | Ki = 65.4 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
17 | 5I5T | - | 67X | C10 H14 N2 O2 S | C[C@@H]1Cc.... |
18 | 5I5X | ic50 = 0.2 uM | 68C | C10 H7 N5 O2 S2 | Cc1c2c(sc1.... |
19 | 2HG8 | - | MLE | C7 H15 N O2 | CC(C)C[C@@.... |
20 | 1KTA | - | KIV | C5 H8 O3 | CC(C)C(=O).... |
21 | 5BWT | - | 4VS | C10 H10 N4 O | CCC1=CC(=O.... |
22 | 2COI | Ki = 3.5 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
23 | 2COJ | Ki = 1.3 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
24 | 2COG | - | 4MV | C6 H12 O2 | CC(C)CCC(=.... |
25 | 2ABJ | ic50 = 0.8 uM | CBC | C16 H10 Cl F3 N2 O4 S | c1ccc(c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5CR5 | ic50 = 2 uM | EL1 | C24 H24 Br N3 O5 S2 | CNC(=O)c1c.... |
2 | 1KT8 | - | ILP | C14 H23 N2 O7 P | CC[C@H](C).... |
3 | 5BWR | ic50 = 25 uM | 4VT | C14 H10 N4 O | c1ccc(cc1).... |
4 | 5I5W | ic50 = 1 mM | 68B | C11 H9 N3 O | c1ccc(cc1).... |
5 | 5I5S | - | NVU | C9 H7 N O3 | c1ccc2c(c1.... |
6 | 5BWW | ic50 = 0.5 uM | 4W6 | C16 H19 N5 O2 | CCCC1=CC(=.... |
7 | 5I5U | - | 67Y | C12 H15 N O2 | c1ccc2c(c1.... |
8 | 5I5Y | ic50 = 1 uM | 68D | C16 H13 N3 O4 S | Cc1c2c(sc1.... |
9 | 5I60 | ic50 = 0.00000001 M | 67W | C18 H15 N3 O3 | c1ccc(c(c1.... |
10 | 5BWX | ic50 = 16 nM | 4W4 | C18 H17 Cl F N5 O | CCCCC1=CC(.... |
11 | 5I5V | ic50 = 63 uM | 68A | C9 H8 N2 O3 S | Cc1c2c(sc1.... |
12 | 5BWV | ic50 = 79 nM | 775 | C17 H16 Cl N5 O | CCCC1=CC(=.... |
13 | 5HNE | ic50 = 50 nM | EL2 | C25 H24 Br N5 O2 S | CNC(=O)c1c.... |
14 | 5BWU | ic50 = 0.63 uM | 4VR | C15 H16 Br N5 O | CCCC1=CC(=.... |
15 | 2HDK | Kd = 6.1 mM | COI | C6 H10 O3 | CC(C)CC(=O.... |
16 | 2A1H | Ki = 65.4 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
17 | 5I5T | - | 67X | C10 H14 N2 O2 S | C[C@@H]1Cc.... |
18 | 5I5X | ic50 = 0.2 uM | 68C | C10 H7 N5 O2 S2 | Cc1c2c(sc1.... |
19 | 2HG8 | - | MLE | C7 H15 N O2 | CC(C)C[C@@.... |
20 | 1KTA | - | KIV | C5 H8 O3 | CC(C)C(=O).... |
21 | 5BWT | - | 4VS | C10 H10 N4 O | CCC1=CC(=O.... |
22 | 2COI | Ki = 3.5 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
23 | 2COJ | Ki = 1.3 mM | GBN | C9 H17 N O2 | C1CCC(CC1).... |
24 | 2COG | - | 4MV | C6 H12 O2 | CC(C)CCC(=.... |
25 | 2ABJ | ic50 = 0.8 uM | CBC | C16 H10 Cl F3 N2 O4 S | c1ccc(c(c1.... |
26 | 3UZO | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
27 | 3UYY | - | PLP | C8 H10 N O6 P | Cc1c(c(c(c.... |
28 | 3HT5 | - | PMP | C8 H13 N2 O5 P | Cc1c(c(c(c.... |
29 | 5U3F | - | 7TS | C11 H14 N3 O7 P | Cc1c(c(c(c.... |
This union binding pocket(no: 1) in the query (biounit: 5i60.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3R4S | SIA | 1.35501 |
2 | 4GPS | CIT | 1.35501 |
3 | 5KJW | 53C | 1.62602 |
4 | 4XFR | CIT | 1.89702 |
5 | 4XG0 | CIT | 1.89702 |
6 | 4F2Q | QUS | 1.93798 |
7 | 4YJK | URA | 1.98413 |
8 | 2PEL | LBT | 2.11864 |
9 | 3ZO7 | K6H | 2.12766 |
10 | 2B6N | ALA PRO THR | 2.15827 |
11 | 3K5I | AIR | 2.16802 |
12 | 1C3X | 8IG | 2.43902 |
13 | 3AWJ | COA | 2.43902 |
14 | 5M6N | 7H9 | 2.54237 |
15 | 4HNN | LYS | 2.60116 |
16 | 6CZI | 38E | 2.67857 |
17 | 1T9D | P22 | 2.71003 |
18 | 1J78 | OLA | 2.71003 |
19 | 3SIX | GDP | 2.72727 |
20 | 1NW4 | IMH | 2.89855 |
21 | 1TL2 | NDG | 2.9661 |
22 | 2ZBA | COA | 2.98103 |
23 | 5NM7 | GLY | 3.00752 |
24 | 5ZI9 | FLC | 3.07692 |
25 | 1NE7 | AGP | 3.11419 |
26 | 4URF | 1PS | 3.22581 |
27 | 2OEM | 1AE | 3.25203 |
28 | 5FPE | 3TR | 3.25203 |
29 | 1TKU | 5RP | 3.43137 |
30 | 3GFS | FMN | 3.44828 |
31 | 3B8I | OXL | 3.48432 |
32 | 4KFU | ACP | 3.77358 |
33 | 1Q19 | SSC | 3.79404 |
34 | 2BO4 | FLC | 3.79404 |
35 | 3O3U | MLR | 3.79404 |
36 | 1T3D | CYS | 3.80623 |
37 | 2J5V | PCA | 3.81471 |
38 | 2G30 | ALA ALA PHE | 3.87597 |
39 | 2WPB | ZZI | 3.94737 |
40 | 1OGZ | EQU | 4 |
41 | 5LI9 | ACP | 4 |
42 | 2W5P | CL8 | 4.02685 |
43 | 1P7T | PYR | 4.06504 |
44 | 2VWT | PYR | 4.11985 |
45 | 5C2N | NAG | 4.16667 |
46 | 3NOJ | PYR | 4.20168 |
47 | 3EUF | BAU | 4.26829 |
48 | 5XK9 | GST | 4.31034 |
49 | 3UW4 | MAA CHG PRO 0DQ | 4.34783 |
50 | 6BR8 | 6OU | 4.36508 |
51 | 5TBS | ADE | 4.52962 |
52 | 6BU0 | IHP | 4.58015 |
53 | 4ZWP | M44 | 4.60705 |
54 | 1JE1 | GMP | 4.66102 |
55 | 4B5W | PYR | 4.6875 |
56 | 3KIF | GDL | 4.71698 |
57 | 3CF6 | SP1 | 4.79042 |
58 | 6G1P | CIT | 4.85714 |
59 | 4I6H | 1C8 | 4.87013 |
60 | 5CLO | NS8 | 5.08475 |
61 | 1LSH | PLD | 5.42005 |
62 | 1NXJ | TLA | 5.46448 |
63 | 2HK9 | ATR | 5.81818 |
64 | 5LWY | OLB | 5.88235 |
65 | 2DC1 | CIT | 5.9322 |
66 | 6BHV | DQV | 5.96206 |
67 | 4WJT | NAG | 5.98802 |
68 | 3CM2 | X23 | 6.15385 |
69 | 3KIH | GDL | 6.18557 |
70 | 5OQW | A4E | 6.29921 |
71 | 1Z34 | 2FD | 6.38298 |
72 | 1H74 | ILE | 6.41892 |
73 | 2D3M | COA | 6.50407 |
74 | 4IF4 | BEF | 6.73077 |
75 | 1LK7 | DER | 6.9869 |
76 | 5C83 | 4YN | 7.27273 |
77 | 6F4W | FMC | 7.29614 |
78 | 2NU5 | NAG | 7.37705 |
79 | 2HYQ | MAN MAN | 7.37705 |
80 | 2NUO | BGC | 7.37705 |
81 | 2GUC | MAN | 7.37705 |
82 | 2GUD | MAN | 7.37705 |
83 | 2HYR | BGC GLC | 7.37705 |
84 | 5YZC | NAG | 7.44681 |
85 | 3GLC | R5P | 7.45763 |
86 | 5A96 | GTP | 7.63052 |
87 | 1ODJ | GMP | 8.08511 |
88 | 5K3W | PLP | 8.30671 |
89 | 2CDU | ADP | 8.40108 |
90 | 3IX9 | MTX | 8.42105 |
91 | 3LGS | ADE | 8.61423 |
92 | 3AB4 | THR | 8.98876 |
93 | 4ZEV | M6P | 9.45946 |
94 | 4PIV | 2W4 | 9.4851 |
95 | 1VHW | ADN | 9.88142 |
96 | 3KCC | CMP | 10.3846 |
97 | 1TUK | PGM | 10.4478 |
98 | 3LST | SAH | 10.6322 |
99 | 5E5U | MLI | 11.5578 |
100 | 4ZJS | 4P0 | 11.7391 |
101 | 4MTI | 2DX | 13.0435 |
102 | 1I2L | DCS | 13.7546 |
103 | 3QPB | URA | 14.1844 |
104 | 3QPB | R1P | 14.1844 |
105 | 6FA4 | D1W | 14.4509 |
106 | 3UW5 | MAA CHG PRO 0DQ | 14.6552 |
107 | 5U9J | GER | 16.568 |
108 | 3KO0 | TFP | 16.8317 |
109 | 5F6U | 5VK | 17.1975 |
110 | 3DAA | PDD | 20.5776 |
This union binding pocket(no: 2) in the query (biounit: 5i60.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5YSI | NCA | None |
2 | 2Z48 | A2G | 1.62602 |
3 | 1SKQ | GDP | 1.62602 |
4 | 1G2O | IMH | 1.86567 |
5 | 4XDA | ADP | 1.94175 |
6 | 1FDJ | 13P | 2.20386 |
7 | 2H92 | C5P | 2.28311 |
8 | 6MDE | MEV | 2.31023 |
9 | 5M4Q | PRO | 2.43902 |
10 | 3DJF | BC3 | 2.43902 |
11 | 4O48 | ASP | 3.01205 |
12 | 1ZOS | MTM | 3.04348 |
13 | 2ZL4 | ALA ALA ALA ALA | 3.06122 |
14 | 3JQ9 | AX1 | 3.125 |
15 | 3BJE | R1P | 3.15186 |
16 | 1IHU | ADP | 3.52304 |
17 | 4JJJ | CBK | 3.52304 |
18 | 3ITJ | CIT | 3.5503 |
19 | 3C4M | MAL | 3.79404 |
20 | 5IQZ | MAL | 3.79404 |
21 | 2XOC | ADP | 3.83142 |
22 | 5BSH | PRO | 3.97112 |
23 | 1VMK | GUN | 4.06504 |
24 | 4UWM | FMN | 4.06504 |
25 | 3EXS | 5RP | 4.0724 |
26 | 3ZZH | NLG | 4.23453 |
27 | 5J6Y | GLC | 4.25532 |
28 | 5J6Y | BGC | 4.25532 |
29 | 6D1U | MAL | 4.33604 |
30 | 3GUZ | PAF | 4.54545 |
31 | 4JUI | EGR | 4.60705 |
32 | 2WN6 | NDP | 4.60705 |
33 | 4FBL | SPD | 4.62633 |
34 | 4ZNO | SUC | 4.77612 |
35 | 1NMU | MTT | 4.80769 |
36 | 4O08 | PO6 | 4.87805 |
37 | 4ZUL | UN1 | 5.69106 |
38 | 5OJL | TXP | 6.04027 |
39 | 5IFK | HPA | 6.08974 |
40 | 2ZSC | BTN | 6.38298 |
41 | 5CQG | 55C | 6.50407 |
42 | 1NT4 | G1P | 6.50407 |
43 | 3JUC | PCA | 6.53595 |
44 | 4L9Z | OXL | 6.78466 |
45 | 3RDV | ASP SER TRP LYS ASP GLY CYS TYR | 6.94444 |
46 | 3VYK | MMA MAN NAG MAN NAG NAG | 6.97674 |
47 | 5XLX | SAH | 7.0922 |
48 | 4M1U | A2G MBG | 7.14286 |
49 | 4EKQ | NPO | 7.48663 |
50 | 1DKF | OLA | 8.15451 |
51 | 5KK4 | 44E | 8.33333 |
52 | 1APZ | ASP | 9.92908 |
53 | 4IS0 | 1R4 | 9.95851 |
54 | 4JGX | PLM | 13.9535 |