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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 322 families. | |||||
1 | 5NF9 | Kd = 4.7 uM | 8VW | C22 H32 N2 O12 | CC(=O)N[C@.... |
2 | 6Y78 | - | BGC GAL | n/a | n/a |
3 | 5E8A | Kd = 0.034 uM | 5KS | C28 H30 F2 N6 O8 S | c1cc(ccc1c.... |
4 | 6QLQ | Kd = 31 uM | J4E | C21 H22 F N3 O4 S | Cc1ccc(cc1.... |
5 | 1A3K | - | NAG GAL | n/a | n/a |
6 | 3T1M | Kd = 0.91 mM | DQT | C23 H27 N O7 | Cc1ccc(cc1.... |
7 | 6RHM | - | J1E | C25 H26 F2 N6 O5 S | c1cc(cc(c1.... |
8 | 6Q0Q | Kd = 535 mM | P8G | C25 H40 N6 O16 | CO[C@H]1[C.... |
9 | 4LBL | Kd = 11 uM | BGC GAL SIA | n/a | n/a |
10 | 6I77 | Kd = 11 uM | H5Q | C21 H20 F4 N4 O4 S | Cc1ccc(cc1.... |
11 | 6Y4C | - | BGC GAL | n/a | n/a |
12 | 2NMN | Kd = 260 uM | BGC GAL | n/a | n/a |
13 | 4R9B | - | BGC GAL | n/a | n/a |
14 | 6RHL | - | J0T | C25 H26 F2 N6 O5 S | c1cc(cc(c1.... |
15 | 2NN8 | Kd = 260 uM | BGC GAL | n/a | n/a |
16 | 6QLP | Kd = 22 uM | J3Q | C21 H20 F3 N3 O4 S | Cc1ccc(cc1.... |
17 | 4JC1 | Kd = 50 uM | YIO GAL | n/a | n/a |
18 | 4R9A | - | BGC GAL | n/a | n/a |
19 | 6QLS | Kd = 15 uM | HRK | C20 H27 N3 O9 S | c1ccc(cc1).... |
20 | 5EXO | - | 5SY | C19 H22 O9 | CC(=O)O[C@.... |
21 | 5ODY | Kd = 4 nM | 9SK | C30 H28 F5 N3 O11 S | c1cc(c(c2c.... |
22 | 5E88 | Kd = 0.065 uM | 5KT | C24 H28 N6 O8 S3 | c1cscc1c2c.... |
23 | 4R9D | - | BGC GAL | n/a | n/a |
24 | 6QLR | Kd = 8.8 uM | J4N | C21 H21 F2 N3 O4 S | Cc1ccc(cc1.... |
25 | 1KJL | Kd = 67 uM | NAG GAL | n/a | n/a |
26 | 6QLU | Kd = 5.2 uM | J62 | C22 H24 F N3 O4 S | Cc1ccc(cc1.... |
27 | 3T1L | Kd = 0.55 mM | MQT | C17 H22 O8 | Cc1ccc(cc1.... |
28 | 2XG3 | Kd = 18.2 uM | NAG GAL UNU | n/a | n/a |
29 | 4LBJ | Kd = 0.39 uM | BGC GAL NAG GAL | n/a | n/a |
30 | 6QLN | Kd = 88 uM | J5Q | C21 H22 F N3 O4 S | Cc1ccc(cc1.... |
31 | 4R9C | - | BGC GAL | n/a | n/a |
32 | 6I74 | Kd = 3.4 uM | H5Z | C21 H18 F5 N3 O4 S | Cc1ccc(cc1.... |
33 | 3ZSJ | Kd = 231 uM | BGC GAL | n/a | n/a |
34 | 4LBM | Kd = 0.97 uM | BGC GAL NAG GAL | n/a | n/a |
35 | 1KJR | Kd = 0.88 uM | NAG GAL BEK | n/a | n/a |
36 | 6EOL | Kd = 0.037 uM | BKH | C20 H16 Cl2 F3 N3 O4 S | c1cc(c(cc1.... |
37 | 6KXB | Kd ~ 1300 uM | GTR ADA ADA | n/a | n/a |
38 | 6I78 | Kd = 18 uM | H5H | C22 H22 F4 N4 O4 S | Cc1ccc(cc1.... |
39 | 6Q17 | Kd = 972 mM | P8J | C16 H27 N3 O11 | CO[C@H]1[C.... |
40 | 6QGE | Kd = 0.000000064 M | J1E | C25 H26 F2 N6 O5 S | c1cc(cc(c1.... |
41 | 6G0V | Kd = 166 uM | EGZ | C18 H25 N O13 S | C1[C@H](NC.... |
42 | 3AYE | - | BGC GAL | n/a | n/a |
43 | 6QLT | Kd = 23 uM | J5W | C21 H22 F N3 O4 S | Cc1ccc(cc1.... |
44 | 6EOG | Kd = 1.6 uM | BKK | C20 H17 Cl F3 N3 O4 S | c1cc(cc(c1.... |
45 | 6KXA | Kd ~ 1700 uM | GTR ADA | n/a | n/a |
46 | 5E89 | Kd = 0.014 uM | TD2 | C28 H30 F2 N6 O8 S | c1cc(cc(c1.... |
47 | 4LBO | Kd = 1.7 uM | BGC GAL SIA | n/a | n/a |
48 | 6QGF | Kd = 0.000000064 M | J0T | C25 H26 F2 N6 O5 S | c1cc(cc(c1.... |
49 | 6I76 | Kd = 8.5 uM | H5N | C21 H18 F4 N6 O4 S | Cc1ccc(cc1.... |
50 | 2NMO | Kd = 260 uM | BGC GAL | n/a | n/a |
51 | 3AYC | Kd = 57 uM | BGC GAL SIA NGA GAL | n/a | n/a |
52 | 4JCK | Kd = 4.3 mM | TWJ SDY | n/a | n/a |
53 | 5NFA | Kd = 5.6 uM | TVD TVM | n/a | n/a |
54 | 4LBK | Kd = 0.32 uM | BGC GAL NAG GAL | n/a | n/a |
55 | 5OAX | Kd = 27 nM | 9Q5 | C30 H30 F3 N3 O11 S | c1cc(cc(c1.... |
56 | 4RL7 | - | BGC GAL | n/a | n/a |
57 | 6QLO | Kd = 92 uM | J5E | C21 H21 F2 N3 O4 S | Cc1ccc(cc1.... |
58 | 3AYD | Kd = 65 uM | A2G NPO GAL | n/a | n/a |
59 | 4LBN | Kd = 0.65 uM | GLC GAL NAG GAL | n/a | n/a |
60 | 6I75 | Kd = 23 uM | H5T | C21 H19 F4 N3 O5 S | Cc1ccc(cc1.... |
61 | 6L68 | - | ALL | C6 H12 O6 | C([C@@H]1[.... |
62 | 1G86 | - | NEQ | C6 H7 N O2 | CCN1C(=O)C.... |
63 | 6L6C | - | 64K | C5 H10 O5 | C1[C@H]([C.... |
64 | 6L6B | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
65 | 1QKQ | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
66 | 1HDK | - | PMB | C6 H5 Hg O3 S | c1cc(ccc1S.... |
67 | 6QRN | - | RIP | C5 H10 O5 | C1[C@H]([C.... |
68 | 6L64 | - | BGC | C6 H12 O6 | C([C@@H]1[.... |
69 | 6L6D | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
70 | 2D6N | - | NAG GAL | n/a | n/a |
71 | 2D6M | - | GLC GAL | n/a | n/a |
72 | 2D6O | - | NAG GAL NAG GAL | n/a | n/a |
73 | 4XBN | Kd = 93 uM | NAG GAL | n/a | n/a |
74 | 5H9R | Kd = 0.84 uM | TGZ | C20 H26 F N3 O9 S | c1cc(cc(c1.... |
75 | 5H9P | Kd = 0.068 uM | TD2 | C28 H30 F2 N6 O8 S | c1cc(cc(c1.... |
76 | 5DG2 | - | GLC GAL | n/a | n/a |
77 | 5EWS | - | BGC GAL | n/a | n/a |
78 | 5NM1 | - | GLC GAL | n/a | n/a |
79 | 5NLD | - | GLC GAL | n/a | n/a |
80 | 5NMJ | - | GLC GAL | n/a | n/a |
81 | 5NLH | - | GLC GAL | n/a | n/a |
82 | 5NLE | - | GLC GAL | n/a | n/a |
83 | 4XBL | Kd = 340 uM | NAG GAL | n/a | n/a |
84 | 4Y24 | Kd = 0.22 uM | TD2 | C28 H30 F2 N6 O8 S | c1cc(cc(c1.... |
85 | 3T2T | - | MQT | C17 H22 O8 | Cc1ccc(cc1.... |
86 | 3OY8 | Kd = 220 uM | GCO GAL | n/a | n/a |
87 | 2EAL | - | GAL NGA A2G | n/a | n/a |
88 | 2ZHL | Kd = 3 uM | NAG GAL NAG GAL | n/a | n/a |
89 | 2ZHK | Kd = 3 uM | NAG GAL NAG GAL | n/a | n/a |
90 | 2ZHN | - | NAG GAL NAG GAL NAG GAL | n/a | n/a |
91 | 2ZHM | - | NAG GAL NAG GAL | n/a | n/a |
92 | 2EAK | - | GLC GAL | n/a | n/a |
93 | 3WLU | - | LSE | C18 H36 O10 Se Si | C[Si](C)(C.... |
94 | 5H9S | Kd = 87 uM | TGZ | C20 H26 F N3 O9 S | c1cc(cc(c1.... |
95 | 5H9Q | Kd = 38 uM | TD2 | C28 H30 F2 N6 O8 S | c1cc(cc(c1.... |
96 | 4XBQ | Kd = 270 uM | NAG GAL | n/a | n/a |
97 | 6A62 | - | BGC GAL | n/a | n/a |
98 | 6A64 | - | BGC GAL | n/a | n/a |
99 | 6A63 | - | BGC GAL | n/a | n/a |
100 | 5T7S | Kd = 3.1 uM | GLC GAL | n/a | n/a |
101 | 4BMB | Ka = 13000 M^-1 | BGC GAL | n/a | n/a |
102 | 5T7I | Kd = 0.33 uM | BGC GAL NAG GAL | n/a | n/a |
103 | 3VKO | - | NAG GAL SIA | n/a | n/a |
104 | 4BME | Ka = 13000 M^-1 | GLC GAL | n/a | n/a |
105 | 6W4Z | Kd = 9.17 uM | SZS | C17 H22 O9 | CO[C@H]1[C.... |
106 | 5T7T | Kd = 2.1 uM | NAG GAL | n/a | n/a |
107 | 6N3R | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
108 | 3I8T | Kd = 600 uM | GLC GAL | n/a | n/a |
109 | 3WV6 | - | BGC GAL | n/a | n/a |
110 | 3NV2 | - | NDG GAL | n/a | n/a |
111 | 3NV4 | - | BGC GAL SIA | n/a | n/a |
112 | 3NV3 | - | MAN NAG GAL | n/a | n/a |
113 | 6LJQ | - | BGC GAL | n/a | n/a |
114 | 3WUD | Kd = 41 uM | GLC GAL | n/a | n/a |
115 | 3GAL | - | 1GN | C6 H13 N O5 | C([C@@H]1[.... |
116 | 4UW6 | - | VV7 | C69 H77 N20 O39 | c1c(cc(cc1.... |
117 | 2GAL | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
118 | 4GAL | - | BGC GAL | n/a | n/a |
119 | 4UW3 | - | 50G | C31 H50 N10 O18 | c1c(nnn1[C.... |
120 | 4UW4 | - | 4S0 | C49 H80 N10 O33 | c1c(nnn1[C.... |
121 | 3ZXE | Kd = 450 uM | PGZ | C22 H28 N O8 P S | Cc1ccc(cc1.... |
122 | 5GAL | - | NAG GAL | n/a | n/a |
123 | 4UW5 | - | 4S0 | C49 H80 N10 O33 | c1c(nnn1[C.... |
124 | 1A78 | - | YIO GAL | n/a | n/a |
125 | 5DUW | Kd = 510 uM | BGC SGA | n/a | n/a |
126 | 5DUV | Kd = 1300 uM | BGC GAL | n/a | n/a |
127 | 5DUX | Kd = 380 uM | BGC GAL FUC | n/a | n/a |
128 | 4WVV | - | GLC GAL | n/a | n/a |
129 | 4WVW | - | GLC GAL SIA | n/a | n/a |
130 | 4YLZ | Kd = 270 uM | BGC GAL NAG GAL | n/a | n/a |
131 | 5CBL | - | BGC GAL | n/a | n/a |
132 | 4YM0 | Kd = 510 uM | BGC GAL NAG GAL | n/a | n/a |
133 | 4YM2 | Kd = 1400 uM | BGC GAL | n/a | n/a |
134 | 4YM3 | Kd = 1900 uM | BGC GAL | n/a | n/a |
135 | 4YM1 | Kd = 580 uM | BGC GAL FUC | n/a | n/a |
136 | 1IS4 | - | BGC GAL | n/a | n/a |
137 | 1WLD | - | BGC GAL | n/a | n/a |
138 | 6FOF | - | BGC GAL | n/a | n/a |
139 | 5NFB | Kd = 0.77 uM | 8VT | C30 H40 N2 O13 | CC(=O)N[C@.... |
140 | 5NF7 | Kd = 37.5 uM | TVD GAL | n/a | n/a |
141 | 1SLA | - | NAG BMA MAN MAN NAG GAL NAG GAL | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GAL | 1.0000 |
2 | BGC GAL | 0.9939 |
3 | GLC BGC | 0.9708 |
4 | MGL GAL | 0.9644 |
5 | PA1 GCS | 0.9638 |
6 | BMA GAL | 0.9621 |
7 | BGC BGC | 0.9620 |
8 | BGC Z9D | 0.9601 |
9 | ABL | 0.9534 |
10 | SHG BGC | 0.9495 |
11 | FRU GAL | 0.9492 |
12 | NOY BGC | 0.9473 |
13 | GLC GLC | 0.9449 |
14 | GCS GCS | 0.9448 |
15 | BGC OXZ | 0.9401 |
16 | GCU BGC | 0.9395 |
17 | 9MR | 0.9371 |
18 | IFM BGC | 0.9339 |
19 | SGC BGC | 0.9325 |
20 | MGL SGC | 0.9323 |
21 | GAL NOK | 0.9310 |
22 | NOK GAL | 0.9310 |
23 | GAL NGT | 0.9309 |
24 | NGT GAL | 0.9309 |
25 | BMA BGC | 0.9303 |
26 | YIO GAL | 0.9301 |
27 | 145 | 0.9284 |
28 | NDG GAL | 0.9259 |
29 | FUC GAL | 0.9248 |
30 | NAG GAL | 0.9240 |
31 | GAL GC2 | 0.9214 |
32 | MAN BMA | 0.9167 |
33 | IDC | 0.9114 |
34 | GAL GAL | 0.9109 |
35 | BMA BMA | 0.9105 |
36 | LOG GAL | 0.9094 |
37 | ISX | 0.9080 |
38 | 43S | 0.9071 |
39 | GAL GLA | 0.9062 |
40 | IFM BMA | 0.9056 |
41 | BGC GLC | 0.9028 |
42 | 4WS GAL | 0.9010 |
43 | MHD GAL | 0.9006 |
44 | JRO | 0.8990 |
45 | MAV BEM | 0.8980 |
46 | BEM LGU | 0.8965 |
47 | A2G GAL | 0.8955 |
48 | MBG GAL | 0.8920 |
49 | NGA GAL | 0.8910 |
50 | MA1 GLC | 0.8908 |
51 | LAM | 0.8904 |
52 | 64I | 0.8886 |
53 | NAG GCD | 0.8880 |
54 | NAG GAD | 0.8880 |
55 | 6GR | 0.8879 |
56 | IXM | 0.8874 |
57 | NAG GC4 | 0.8870 |
58 | GAL FUC | 0.8851 |
59 | ZT2 | 0.8848 |
60 | GRI | 0.8844 |
61 | BQZ | 0.8840 |
62 | 636 | 0.8840 |
63 | BEM BEM | 0.8834 |
64 | CZ0 | 0.8829 |
65 | LG7 | 0.8823 |
66 | 683 | 0.8822 |
67 | DTK | 0.8806 |
68 | GWD | 0.8804 |
69 | 9CE | 0.8804 |
70 | TXQ | 0.8803 |
71 | BGC SGA | 0.8792 |
72 | MYG | 0.8786 |
73 | SGC GLC | 0.8781 |
74 | 19E | 0.8774 |
75 | 6EN | 0.8773 |
76 | EZB | 0.8771 |
77 | MNY | 0.8764 |
78 | MGC GAL | 0.8761 |
79 | 7D0 | 0.8752 |
80 | DSQ | 0.8745 |
81 | GCO GAL | 0.8744 |
82 | NXB | 0.8741 |
83 | BNY | 0.8738 |
84 | HFZ | 0.8738 |
85 | CC6 | 0.8737 |
86 | 38E | 0.8728 |
87 | HO4 | 0.8727 |
88 | XYS XYP | 0.8724 |
89 | HDU | 0.8722 |
90 | NDG GAD | 0.8710 |
91 | 9RM | 0.8706 |
92 | MMA XYP | 0.8705 |
93 | JMS | 0.8705 |
94 | 2HN | 0.8704 |
95 | 581 | 0.8703 |
96 | XYP XYP | 0.8698 |
97 | K3Q 7CV | 0.8695 |
98 | JY4 | 0.8693 |
99 | TGW | 0.8693 |
100 | MNX | 0.8689 |
101 | NOM | 0.8689 |
102 | GLO BGC | 0.8686 |
103 | LM7 | 0.8683 |
104 | AFX | 0.8680 |
105 | GAL NPO | 0.8676 |
106 | 147 | 0.8676 |
107 | 8SK | 0.8669 |
108 | DS8 | 0.8667 |
109 | 5I5 | 0.8667 |
110 | E3Y | 0.8667 |
111 | 43U | 0.8667 |
112 | E44 | 0.8663 |
113 | 553 | 0.8661 |
114 | CB1 | 0.8654 |
115 | XYP XIM | 0.8651 |
116 | MVL BMA | 0.8651 |
117 | 56N | 0.8651 |
118 | DNQ | 0.8650 |
119 | CJZ | 0.8648 |
120 | LUM | 0.8646 |
121 | HNA | 0.8645 |
122 | 17C | 0.8645 |
123 | EUN | 0.8642 |
124 | U19 | 0.8638 |
125 | LFN | 0.8636 |
126 | 1YE | 0.8634 |
127 | DY9 | 0.8632 |
128 | XYS XYS | 0.8625 |
129 | GMP | 0.8625 |
130 | 113 | 0.8625 |
131 | 47N | 0.8619 |
132 | MQS | 0.8605 |
133 | GAT | 0.8604 |
134 | B2X | 0.8603 |
135 | 041 | 0.8596 |
136 | TLF | 0.8594 |
137 | MTA | 0.8590 |
138 | 6J3 | 0.8588 |
139 | ID8 | 0.8585 |
140 | RPP | 0.8584 |
141 | XIF XYP | 0.8579 |
142 | XYP XYS | 0.8575 |
143 | XDL XYP | 0.8574 |
144 | 1FL | 0.8564 |
145 | BZC | 0.8559 |
146 | B2L | 0.8554 |
147 | LOX XYP | 0.8551 |
148 | WS6 | 0.8541 |
149 | 8WB | 0.8538 |
150 | FHI | 0.8535 |
151 | GN6 | 0.8535 |
152 | ZJB | 0.8531 |
153 | ADN | 0.8528 |
This union binding pocket(no: 1) in the query (biounit: 5dg2.bio1) has 8 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3VV1 | FUC GAL | 20 |
2 | 3VV1 | FUC GAL | 20 |