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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 4 families. | |||||
1 | 6EA1 | Ki = 331 nM | J0Y | C17 H11 F7 N2 O3 | c1cc(ccc1c.... |
2 | 4K5N | Ki = 127 uM | 1OU | C8 H13 N4 O3 P | [H]/N=C(/N.... |
3 | 4R5T | Ki = 0.8 uM | R5T | C16 H20 N4 O4 | CC(C)(C)OC.... |
4 | 4ZX6 | Ki = 5.4 uM | 4U6 | C20 H24 N4 O4 | CC(C)(C)C(.... |
5 | 4K5P | Ki = 345 uM | 1OS | C8 H12 N3 O3 P | [H]/N=C(c1.... |
6 | 6EAB | Ki = 431 nM | J2D | C20 H19 F3 N2 O4 | c1cc(ccc1c.... |
7 | 4ZX5 | Ki = 0.64 uM | 4TM | C17 H20 N2 O3 S | CC(C)(C)C(.... |
8 | 3EBH | Ki = 478.2 nM | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
9 | 6EE4 | Ki = 202 nM | J4S | C19 H17 F3 N2 O3 | c1cc(ccc1c.... |
10 | 4ZX4 | Ki = 0.078 uM | 4TL | C19 H19 F3 N2 O3 | CC(C)(C)C(.... |
11 | 4ZW7 | Ki = 19 uM | 4SZ | C19 H19 F3 N2 O4 | CC(C)(C)OC.... |
12 | 4ZW3 | Ki = 0.027 uM | 4S9 | C13 H17 Br N2 O4 | CC(C)(C)OC.... |
13 | 6EED | Ki = 812 nM | J6A | C22 H23 F3 N2 O3 | c1cc(ccc1c.... |
14 | 4K5M | Ki = 193 uM | 1OV | C5 H15 N4 O3 P | [H]/N=C(/N.... |
15 | 4ZW8 | Ki = 1.1 uM | 4T2 | C20 H24 N4 O5 | CC(C)(C)OC.... |
16 | 4ZX3 | Ki = 0.065 uM | 4TK | C13 H17 Br N2 O3 | CC(C)(C)C(.... |
17 | 3Q44 | Ki = 490 nM | D50 | C23 H30 N2 O5 | CC(C)C[C@@.... |
18 | 6EE3 | Ki = 137 nM | J4V | C25 H25 F3 N2 O3 | c1cc(ccc1c.... |
19 | 3Q43 | Ki = 43 nM | D66 | C17 H26 N2 O5 | CC(C)C[C@@.... |
20 | 4ZW5 | Ki = 37 uM | 4SA | C19 H22 N2 O4 | CC(C)(C)OC.... |
21 | 4X2U | - | TOD | C16 H22 N2 O6 | CC(C)C[C@H.... |
22 | 6EE6 | Ki = 216 nM | J4P | C21 H21 F3 N2 O3 | c1cc(ccc1c.... |
23 | 3T8V | Ki = 260 nM | BTJ | C54 H67 N7 O11 | C[C@@H](C(.... |
24 | 4K5O | Ki = 104 uM | 1OT | C10 H12 N3 O3 P | c1cnn(c1)c.... |
25 | 4R5X | Ki = 5.5 uM | R5X | C18 H17 N5 O3 | c1cc(cc(c1.... |
26 | 6EA2 | Ki = 285 nM | J1G | C20 H19 F3 N2 O3 | c1cc(ccc1c.... |
27 | 3EBI | Ki = 79 nM | BEY | C19 H24 N O4 P | c1ccc(cc1).... |
28 | 4ZW6 | Ki = 1.9 uM | 4SY | C17 H22 N4 O4 | CC(C)(C)OC.... |
29 | 6EAA | Ki = 818 nM | J1V | C21 H21 F3 N2 O3 | c1cc(ccc1c.... |
30 | 4R5V | Ki = 0.7 uM | R5V | C16 H20 N4 O3 | CC(C)(C)C(.... |
31 | 4K5L | Ki = 11 uM | 19N | C6 H17 N4 O3 P | [H]/N=C(N).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 5MFT | Ki = 34 nM | 7MF | C17 H19 Br N O2 | c1ccc(cc1).... |
2 | 3B3B | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
3 | 3B2X | - | LYS | C6 H15 N2 O2 | C(CC[NH3+].... |
4 | 4Q4I | ic50 = 0.047 uM | L2O VAL VAL ASP | n/a | n/a |
5 | 5MFR | Ki = 50000 nM | 7MK | C11 H16 N O2 | c1ccc2c(c1.... |
6 | 3B34 | - | PHE | C9 H11 N O2 | c1ccc(cc1).... |
7 | 2ZXG | Ki = 15 nM | S23 | C21 H27 N2 O5 P | C[C@H](N)[.... |
8 | 3B37 | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
9 | 2HPT | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
10 | 6G8B | - | 7MF | C17 H19 Br N O2 | c1ccc(cc1).... |
11 | 2DQM | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
12 | 5MFS | Ki = 330 nM | 7ML | C17 H20 N O2 | c1ccc(cc1).... |
13 | 3KED | ic50 = 3.6 mM | DAB | C4 H10 N2 O2 | C(CN)[C@@H.... |
14 | 3QJX | - | SER | C3 H7 N O3 | C([C@@H](C.... |
15 | 4Q4E | ic50 = 0.19 uM | BB2 | C19 H35 N3 O5 | CCCCC[C@H].... |
16 | 3B2P | - | ARG | C6 H15 N4 O2 | C(C[C@@H](.... |
17 | 6EA1 | Ki = 331 nM | J0Y | C17 H11 F7 N2 O3 | c1cc(ccc1c.... |
18 | 4K5N | Ki = 127 uM | 1OU | C8 H13 N4 O3 P | [H]/N=C(/N.... |
19 | 4R5T | Ki = 0.8 uM | R5T | C16 H20 N4 O4 | CC(C)(C)OC.... |
20 | 4ZX6 | Ki = 5.4 uM | 4U6 | C20 H24 N4 O4 | CC(C)(C)C(.... |
21 | 4K5P | Ki = 345 uM | 1OS | C8 H12 N3 O3 P | [H]/N=C(c1.... |
22 | 6EAB | Ki = 431 nM | J2D | C20 H19 F3 N2 O4 | c1cc(ccc1c.... |
23 | 4ZX5 | Ki = 0.64 uM | 4TM | C17 H20 N2 O3 S | CC(C)(C)C(.... |
24 | 3EBH | Ki = 478.2 nM | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
25 | 6EE4 | Ki = 202 nM | J4S | C19 H17 F3 N2 O3 | c1cc(ccc1c.... |
26 | 4ZX4 | Ki = 0.078 uM | 4TL | C19 H19 F3 N2 O3 | CC(C)(C)C(.... |
27 | 4ZW7 | Ki = 19 uM | 4SZ | C19 H19 F3 N2 O4 | CC(C)(C)OC.... |
28 | 4ZW3 | Ki = 0.027 uM | 4S9 | C13 H17 Br N2 O4 | CC(C)(C)OC.... |
29 | 6EED | Ki = 812 nM | J6A | C22 H23 F3 N2 O3 | c1cc(ccc1c.... |
30 | 4K5M | Ki = 193 uM | 1OV | C5 H15 N4 O3 P | [H]/N=C(/N.... |
31 | 4ZW8 | Ki = 1.1 uM | 4T2 | C20 H24 N4 O5 | CC(C)(C)OC.... |
32 | 4ZX3 | Ki = 0.065 uM | 4TK | C13 H17 Br N2 O3 | CC(C)(C)C(.... |
33 | 3Q44 | Ki = 490 nM | D50 | C23 H30 N2 O5 | CC(C)C[C@@.... |
34 | 6EE3 | Ki = 137 nM | J4V | C25 H25 F3 N2 O3 | c1cc(ccc1c.... |
35 | 3Q43 | Ki = 43 nM | D66 | C17 H26 N2 O5 | CC(C)C[C@@.... |
36 | 4ZW5 | Ki = 37 uM | 4SA | C19 H22 N2 O4 | CC(C)(C)OC.... |
37 | 4X2U | - | TOD | C16 H22 N2 O6 | CC(C)C[C@H.... |
38 | 6EE6 | Ki = 216 nM | J4P | C21 H21 F3 N2 O3 | c1cc(ccc1c.... |
39 | 3T8V | Ki = 260 nM | BTJ | C54 H67 N7 O11 | C[C@@H](C(.... |
40 | 4K5O | Ki = 104 uM | 1OT | C10 H12 N3 O3 P | c1cnn(c1)c.... |
41 | 4R5X | Ki = 5.5 uM | R5X | C18 H17 N5 O3 | c1cc(cc(c1.... |
42 | 6EA2 | Ki = 285 nM | J1G | C20 H19 F3 N2 O3 | c1cc(ccc1c.... |
43 | 3EBI | Ki = 79 nM | BEY | C19 H24 N O4 P | c1ccc(cc1).... |
44 | 4ZW6 | Ki = 1.9 uM | 4SY | C17 H22 N4 O4 | CC(C)(C)OC.... |
45 | 6EAA | Ki = 818 nM | J1V | C21 H21 F3 N2 O3 | c1cc(ccc1c.... |
46 | 4R5V | Ki = 0.7 uM | R5V | C16 H20 N4 O3 | CC(C)(C)C(.... |
47 | 4K5L | Ki = 11 uM | 19N | C6 H17 N4 O3 P | [H]/N=C(N).... |
48 | 4QHP | Ki = 9 nM | 32Q | C20 H27 N2 O4 P | c1ccc(cc1).... |
49 | 4QIR | Ki = 112 nM | 379 | C18 H23 N2 O4 P | c1ccc(cc1).... |
50 | 4QUO | Ki = 12 nM | 3DZ | C20 H27 N2 O4 P | c1ccc(cc1).... |
51 | 4QPE | - | 37E | C8 H19 N2 O3 P | C1CCC(CC1).... |
52 | 4QME | Ki = 302 nM | 37B | C19 H24 N O4 P | c1ccc(cc1).... |
This union binding pocket(no: 1) in the query (biounit: 4zw3.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5KDX | GAL TNR | 1.01695 |
2 | 4MRP | GSH | 1.14007 |
3 | 2YIV | YIV | 1.21951 |
4 | 5FJJ | MAN | 1.30641 |
5 | 2BP1 | FLC | 1.66667 |
6 | 2JC9 | ADN | 1.8018 |
7 | 1QXO | EPS | 2.06186 |
8 | 3R9V | DXC | 2.0979 |
9 | 4WKI | 3PW | 2.12766 |
10 | 4COL | DTP | 2.15054 |
11 | 4B52 | RDF | 2.30263 |
12 | 1Y79 | LYS TRP | 2.47191 |
13 | 1Y79 | GLY ASP | 2.47191 |
14 | 5AMC | GLY NIY | 2.54372 |
15 | 1YKD | CMP | 2.76382 |
16 | 5E62 | Z3Q GAL 5N6 | 2.8103 |
17 | 1ZED | PNP | 2.89256 |
18 | 3G4G | D71 | 3.08789 |
19 | 4U8P | UDP | 3.11891 |
20 | 3G58 | 988 | 3.41207 |
21 | 4TMN | 0PK | 3.48101 |
22 | 1Y7P | RIP | 3.58744 |
23 | 6BR9 | PGV | 3.62117 |
24 | 4I90 | CHT | 3.63036 |
25 | 5V4R | MGT | 3.70787 |
26 | 3ETG | GTP | 3.79242 |
27 | 5O7E | 9NB | 3.81679 |
28 | 3G5K | BB2 | 3.82514 |
29 | 3O01 | DXC | 3.8961 |
30 | 3UWB | BB2 | 3.8961 |
31 | 1BKC | INN | 3.90625 |
32 | 4P6X | HCY | 3.92157 |
33 | 1KUK | PCA LYS TRP | 3.94089 |
34 | 1XMY | ROL | 4.0201 |
35 | 6FFI | D8B | 4.05405 |
36 | 3E3U | NVC | 4.06091 |
37 | 4JE7 | BB2 | 4.06091 |
38 | 1G27 | BB1 | 4.16667 |
39 | 1UUY | PPI | 4.19162 |
40 | 2FV5 | 541 | 4.21456 |
41 | 1UWC | FER | 4.21456 |
42 | 3OJI | PYV | 4.2328 |
43 | 1RL4 | BRR | 4.25532 |
44 | 2J9L | ATP | 4.32432 |
45 | 2GWH | PCI | 4.36242 |
46 | 4Z87 | GDP | 4.38095 |
47 | 4WGF | HX2 | 4.39024 |
48 | 6AR9 | 3L4 | 4.41176 |
49 | 2EW5 | Y12 | 4.41989 |
50 | 3BFV | ADP | 4.42804 |
51 | 1S17 | GNR | 4.44444 |
52 | 3DWB | RDF | 4.47761 |
53 | 4A8H | PUW | 4.50704 |
54 | 1M48 | FRG | 4.51128 |
55 | 4X1Z | FUC GAL NDG | 4.51807 |
56 | 5UGW | GSH | 4.57143 |
57 | 3M6P | BB2 | 4.66321 |
58 | 3D3X | ARG ILE MET GLU NH2 | 4.68384 |
59 | 1MMQ | RRS | 4.70588 |
60 | 2PEH | LYS ARG LYS SER ARG TRP ASP GLU THR PRO | 4.7619 |
61 | 5E65 | 5N6 GAL | 4.81928 |
62 | 4EOX | 0S5 | 4.92611 |
63 | 3AHO | 3A2 | 4.96454 |
64 | 3ZVS | MLI | 5 |
65 | 2WCV | FUC | 5 |
66 | 1R55 | 097 | 5.14019 |
67 | 6BR8 | PGV | 5.15873 |
68 | 5K53 | STE | 5.34351 |
69 | 3ZPG | 5GP | 5.49738 |
70 | 4UCC | ZKW | 5.5794 |
71 | 1WS1 | BB2 | 5.76923 |
72 | 2V57 | PRL | 5.78947 |
73 | 5OSW | DIU | 5.8319 |
74 | 4V3I | ASP LEU THR ARG PRO | 5.83658 |
75 | 2TCL | RO4 | 5.91716 |
76 | 4JLS | 3ZE | 5.92105 |
77 | 4RHP | PEF | 5.95745 |
78 | 3OZV | ECN | 6.20347 |
79 | 5LDQ | NAP | 6.21469 |
80 | 4WZV | E40 | 6.25 |
81 | 4CA5 | 3EF | 6.28183 |
82 | 2W14 | WR2 | 6.43564 |
83 | 3HBV | ALA LYS ALA SER GLN ALA ALA | 6.49351 |
84 | 4K90 | MLA | 6.51163 |
85 | 3AQT | RCO | 6.53061 |
86 | 4LKK | SIA GAL | 6.54762 |
87 | 5A4W | QCT | 6.60377 |
88 | 4IN9 | SER TRP PHE PRO | 6.62651 |
89 | 5KAU | RHQ | 6.66667 |
90 | 4DR9 | BB2 | 6.77083 |
91 | 2BCG | GER | 6.79612 |
92 | 2J83 | BAT | 6.87023 |
93 | 1QJI | PKF | 7 |
94 | 5H0U | HIS HIS HIS HIS HIS HIS | 7.05882 |
95 | 1R6N | 434 | 7.109 |
96 | 3E70 | GDP | 7.31707 |
97 | 2NV2 | GLN | 7.35294 |
98 | 4RHS | SIA SIA GAL | 7.37705 |
99 | 1B74 | DGN | 7.48031 |
100 | 5N0L | ILE | 7.54717 |
101 | 5LX9 | OLB | 7.74648 |
102 | 5C1M | OLC | 7.77027 |
103 | 3CEV | ARG | 8.02676 |
104 | 2GBB | CIT | 8.33333 |
105 | 4DV8 | 0LX | 8.36502 |
106 | 3N7S | 3N7 | 8.69565 |
107 | 5OCA | 9QZ | 8.73016 |
108 | 1LQY | BB2 | 9.23913 |
109 | 2BTO | GTP | 9.30233 |
110 | 5DCH | 1YO | 9.375 |
111 | 1ATL | 0QI | 9.40594 |
112 | 4AIG | FLX | 9.45274 |
113 | 3FS1 | ALA ALA LEU ALA ALA LEU LEU ALA ALA | 9.56522 |
114 | 5FH7 | 5XL | 9.67742 |
115 | 1Q1Y | BB2 | 9.94764 |
116 | 1RM8 | BAT | 10.0592 |
117 | 5N18 | 8HZ | 10.0917 |
118 | 1P19 | IMP | 10.4072 |
119 | 5A0R | ACE GLU VAL ASN PRO | 10.6061 |
120 | 2V5E | SCR | 10.8911 |
121 | 5KD8 | TNR | 10.9123 |
122 | 3Q2H | QHF | 11.1111 |
123 | 5W7B | MYR | 11.1374 |
124 | 2VWA | PTY | 11.8812 |
125 | 1YP1 | LYS ASN LEU | 12.3762 |
126 | 1FBL | HTA | 12.4324 |
127 | 5JF2 | SF7 | 12.7451 |
128 | 2D5X | L35 | 12.766 |
129 | 5C9J | DAO | 13.1313 |
130 | 5L44 | K26 | 13.1772 |
131 | 2OKL | BB2 | 13.5135 |
132 | 5MTE | BB2 | 13.8686 |
133 | 4DS8 | A8S | 13.9942 |
134 | 1Q3A | NGH | 14.5455 |
135 | 6BTN | E8M | 14.8515 |
136 | 3KO0 | TFP | 14.8515 |
137 | 6BTP | E8J | 14.9254 |
138 | 1JGS | SAL | 15.2174 |
139 | 5CHR | 4NC | 15.3285 |
140 | 5KDS | A2G THR ALA PRO GLY GLY NAG SIA | 15.6604 |
141 | 5AB0 | 2X0 7GA LYS HIS HIS ALA PHE SER PHE LYN | 15.7303 |
142 | 4DD8 | BAT | 15.8654 |
143 | 4OGQ | 7PH | 16.2162 |
144 | 1ECM | TSA | 16.5138 |
145 | 5N26 | CPT | 17.033 |
146 | 3KP6 | SAL | 17.2185 |
147 | 4KX8 | L2O VAL VAL ASP | 17.7928 |
148 | 5M36 | 9SZ | 18.4211 |
149 | 5LWY | OLB | 18.4874 |
150 | 4AR8 | IP8 GLY PRO ALA | 19.0355 |
151 | 6BVK | EAV | 19.7605 |
152 | 2XQ0 | BES | 20.0949 |
153 | 3PNA | CMP | 20.7792 |
154 | 5XXH | E0D | 22.5564 |
155 | 4RJD | TFP | 22.7273 |
156 | 2HO2 | PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU | 23.6842 |
157 | 5M37 | 9SZ | 30 |
158 | 2VJ8 | HA2 | 31.0966 |
159 | 4GAA | BES | 31.5271 |
160 | 5Z84 | CHD | 35.7143 |
161 | 5ZCO | CHD | 35.7143 |
162 | 5W97 | CHD | 35.7143 |
163 | 1NU4 | MLA | 38.1443 |
164 | 2Y69 | CHD | 38.75 |
165 | 5ZI7 | GLU | 50 |