- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 426 families. | |||||
1 | 1V00 | - | BGC GAL | n/a | n/a |
2 | 3N3H | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
3 | 3N36 | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
4 | 1AX0 | Ka = 1340 M^-1 | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
5 | 1UZY | - | BGC GAL | n/a | n/a |
6 | 1LTE | - | BGC GAL | n/a | n/a |
7 | 1AX1 | Ka = 1940 M^-1 | BGC GAL | n/a | n/a |
8 | 1AX2 | Ka = 9730 M^-1 | NDG GAL | n/a | n/a |
9 | 1GZC | Kd = 0.32 mM | BGC GAL | n/a | n/a |
10 | 3N35 | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
11 | 1AXZ | Ka = 1570 M^-1 | GAL | C6 H12 O6 | C([C@@H]1[.... |
12 | 1GZ9 | Kd = 0.31 mM | BGC GAL FUC | n/a | n/a |
13 | 2DTW | - | 2GS | C7 H14 O6 | CO[C@@H]1[.... |
14 | 1WBL | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
15 | 2ZMK | - | EGA GLA | n/a | n/a |
16 | 2D3S | - | SER A2G | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 5T55 | Kd = 0.68 nM | BGC GAL GLA NGA | n/a | n/a |
2 | 5T54 | Kd = 0.87 nM | GLA FUC A2G | n/a | n/a |
3 | 5T5J | Kd = 0.73 nM | ACA SER SER VAL GLY A2G | n/a | n/a |
4 | 5T52 | Kd = 0.54 nM | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
5 | 5T5L | Kd = 0.73 nM | ACE SER SER VAL GLY A2G | n/a | n/a |
6 | 5T5P | Kd = 0.71 nM | ACE SER THR VAL GLY A2G | n/a | n/a |
7 | 1FNZ | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
8 | 1S1A | - | MMA MAN | n/a | n/a |
9 | 2ARB | Ka = 26000 M^-1 | MAN NAG | n/a | n/a |
10 | 1N3Q | - | FRU GLC | n/a | n/a |
11 | 2AR6 | Ka = 63000 M^-1 | MAN MAN MAN NAG NAG | n/a | n/a |
12 | 1N3O | - | GYP | C7 H14 O6 | CO[C@@H]1[.... |
13 | 1N3P | - | GLC FRU | n/a | n/a |
14 | 2ARX | - | MAN MAN | n/a | n/a |
15 | 2ARE | Ka = 1900 M^-1 | MAN | C6 H12 O6 | C([C@@H]1[.... |
16 | 1LED | - | MAG GAL FUC FUC | n/a | n/a |
17 | 1GSL | - | MAG FUC GAL FUC | n/a | n/a |
18 | 1V00 | - | BGC GAL | n/a | n/a |
19 | 3N3H | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
20 | 3N36 | - | GLA | C6 H12 O6 | C([C@@H]1[.... |
21 | 1AX0 | Ka = 1340 M^-1 | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
22 | 1UZY | - | BGC GAL | n/a | n/a |
23 | 1LTE | - | BGC GAL | n/a | n/a |
24 | 1AX1 | Ka = 1940 M^-1 | BGC GAL | n/a | n/a |
25 | 1AX2 | Ka = 9730 M^-1 | NDG GAL | n/a | n/a |
26 | 1GZC | Kd = 0.32 mM | BGC GAL | n/a | n/a |
27 | 3N35 | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
28 | 1AXZ | Ka = 1570 M^-1 | GAL | C6 H12 O6 | C([C@@H]1[.... |
29 | 1GZ9 | Kd = 0.31 mM | BGC GAL FUC | n/a | n/a |
30 | 3ZYR | Kd = 4.6 uM | NAG ASN NAG BMA MAN MAN NAG NAG | n/a | n/a |
31 | 3ZVX | - | MAN MAN MAN | n/a | n/a |
32 | 5U38 | - | MMA MAN | n/a | n/a |
33 | 5KXE | Kd = 5.45 uM | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
34 | 5KXB | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
35 | 5KXC | - | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
36 | 5KXD | - | 6Y2 | C22 H31 N3 O13 | CC(=O)N[C@.... |
37 | 4WV8 | - | GLC GAL | n/a | n/a |
38 | 4U2A | - | A2G | C8 H15 N O6 | CC(=O)N[C@.... |
39 | 4U36 | - | SER A2G | n/a | n/a |
40 | 1JXN | - | MFU | C7 H14 O5 | C[C@H]1[C@.... |
41 | 3WCS | - | MAN NAG GAL | n/a | n/a |
42 | 3WOG | - | MAN NAG | n/a | n/a |
43 | 5EYX | - | MMA MAN | n/a | n/a |
44 | 5EYY | - | MMA MAN | n/a | n/a |
45 | 2BQP | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
46 | 5T7P | - | XMM | C14 H15 Br Cl N O6 | c1cc(c(c2c.... |
47 | 2DVA | - | MGC GAL | n/a | n/a |
48 | 6VC4 | Kd = 360 uM | QWG | C22 H37 N3 O14 S2 | CO[C@@H]1[.... |
49 | 6VGF | Kd = 180 uM | WA3 | C42 H68 N6 O27 S4 | c1c(nnn1C[.... |
50 | 2DV9 | - | GAL GAL | n/a | n/a |
51 | 1V6K | - | GLC GAL | n/a | n/a |
52 | 1V6L | - | BGC GAL | n/a | n/a |
53 | 2DVD | - | GAL GAL | n/a | n/a |
54 | 6VC3 | Kd = 482 uM | QWJ | C15 H24 O9 S2 | C#CCSC[C@@.... |
55 | 2TEP | - | NGA GAL | n/a | n/a |
56 | 6V95 | Kd = 495 uM | QSG | C32 H48 N10 O20 | c1c(nnn1[C.... |
57 | 6VAV | Kd = 690 uM | QTY | C32 H48 N10 O16 | c1c(nnn1[C.... |
58 | 2DVB | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
59 | 1V6I | - | GLC GAL | n/a | n/a |
60 | 6VAW | Kd = 1563 uM | S3W | C20 H33 N5 O12 | CO[C@@H]1[.... |
61 | 2PEL | Ki = 1.37 mM | BGC GAL | n/a | n/a |
62 | 1G9F | - | GAL NAG GAL NAG GAL | n/a | n/a |
63 | 2DTW | - | 2GS | C7 H14 O6 | CO[C@@H]1[.... |
64 | 1WBL | - | AMG | C7 H14 O6 | CO[C@@H]1[.... |
65 | 2ZMK | - | EGA GLA | n/a | n/a |
66 | 2D3S | - | SER A2G | n/a | n/a |
67 | 2FMD | - | MAN MAN | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BMA | 1 | 1 |
2 | MAN | 1 | 1 |
3 | BGC GAL | 1 | 1 |
4 | WOO | 1 | 1 |
5 | GLC GLC | 1 | 1 |
6 | GXL | 1 | 1 |
7 | GLA | 1 | 1 |
8 | GAL GAL | 1 | 1 |
9 | ALL | 1 | 1 |
10 | GAL | 1 | 1 |
11 | BGC | 1 | 1 |
12 | GLC | 1 | 1 |
13 | GIV | 1 | 1 |
14 | FUB | 0.653846 | 0.866667 |
15 | BDR | 0.653846 | 0.866667 |
16 | 32O | 0.653846 | 0.866667 |
17 | AHR | 0.653846 | 0.866667 |
18 | Z6J | 0.653846 | 0.866667 |
19 | RIB | 0.653846 | 0.866667 |
20 | BGC GLC GLC GLC GLC GLC | 0.488889 | 0.848485 |
21 | BGC GLC GLC GLC GLC | 0.488889 | 0.848485 |
22 | EMZ | 0.472222 | 0.794118 |
23 | M6P | 0.461538 | 0.675 |
24 | BGP | 0.461538 | 0.675 |
25 | BG6 | 0.461538 | 0.675 |
26 | G6P | 0.461538 | 0.675 |
27 | M6D | 0.461538 | 0.675 |
28 | A6P | 0.461538 | 0.675 |
29 | 2H5 | 0.457143 | 0.875 |
30 | X6X | 0.457143 | 0.777778 |
31 | GCS | 0.457143 | 0.777778 |
32 | SHG | 0.457143 | 0.875 |
33 | 1GN | 0.457143 | 0.777778 |
34 | 95Z | 0.457143 | 0.777778 |
35 | G2F | 0.457143 | 0.875 |
36 | GAF | 0.457143 | 0.875 |
37 | G3F | 0.457143 | 0.875 |
38 | 2FG | 0.457143 | 0.875 |
39 | PA1 | 0.457143 | 0.777778 |
40 | GAL GLA | 0.454545 | 0.848485 |
41 | SGC BGC | 0.444444 | 0.8 |
42 | 3MG | 0.444444 | 0.875 |
43 | ZB1 | 0.444444 | 0.875 |
44 | YIO | 0.441176 | 0.870968 |
45 | 2GS | 0.432432 | 0.875 |
46 | AHR AHR | 0.428571 | 0.764706 |
47 | GLF | 0.428571 | 0.84375 |
48 | FUC GAL | 0.416667 | 0.848485 |
49 | GLC GLC GLC GLC BGC GLC GLC | 0.416667 | 0.848485 |
50 | MAN BMA BMA BMA BMA BMA BMA | 0.416667 | 0.848485 |
51 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.416667 | 0.848485 |
52 | BGC BGC BGC | 0.408163 | 0.848485 |
53 | BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
54 | SGC SGC BGC | 0.408163 | 0.8 |
55 | GLC BGC BGC BGC | 0.408163 | 0.848485 |
56 | BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
57 | BGC BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
58 | YIO GAL | 0.405405 | 0.771429 |
59 | NGA | 0.404762 | 0.7 |
60 | HSQ | 0.404762 | 0.7 |
61 | BM3 | 0.404762 | 0.7 |
62 | NDG | 0.404762 | 0.7 |
63 | A2G | 0.404762 | 0.7 |
64 | NAG | 0.404762 | 0.7 |
65 | AHR AHR AHR AHR AHR | 0.4 | 0.764706 |
66 | AHR AHR AHR AHR | 0.4 | 0.764706 |
67 | AHR AHR AHR AHR AHR AHR | 0.4 | 0.764706 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GAL BGC | 1.0000 |
2 | GLC GAL | 0.9939 |
3 | MGL GAL | 0.9786 |
4 | BGC BGC | 0.9743 |
5 | BGC Z9D | 0.9732 |
6 | BMA GAL | 0.9729 |
7 | SHG BGC | 0.9677 |
8 | GCS GCS | 0.9658 |
9 | ABL | 0.9600 |
10 | GLC BGC | 0.9596 |
11 | BMA BGC | 0.9488 |
12 | PA1 GCS | 0.9469 |
13 | MGL SGC | 0.9463 |
14 | NOY BGC | 0.9460 |
15 | IFM BGC | 0.9435 |
16 | FRU GAL | 0.9422 |
17 | GLA GAL | 0.9403 |
18 | 9MR | 0.9354 |
19 | BGC OXZ | 0.9348 |
20 | NAG GAL | 0.9334 |
21 | NOK GAL | 0.9310 |
22 | GAL NOK | 0.9310 |
23 | NOJ BGC | 0.9292 |
24 | BMA BMA | 0.9237 |
25 | GAL NGT | 0.9233 |
26 | IDC | 0.9233 |
27 | NGT GAL | 0.9233 |
28 | 145 | 0.9231 |
29 | NDG GAL | 0.9207 |
30 | IFM BMA | 0.9158 |
31 | MHD GAL | 0.9134 |
32 | BMA IFM | 0.9110 |
33 | BGC GLC | 0.9101 |
34 | MAN BMA | 0.9092 |
35 | SGC GLC | 0.9082 |
36 | GAL GC2 | 0.9063 |
37 | SA0 | 0.9054 |
38 | LOG GAL | 0.9042 |
39 | GLA GLA | 0.9017 |
40 | BEM LGU | 0.9016 |
41 | BGC GLA | 0.9013 |
42 | GLC GLA | 0.9013 |
43 | 4WS GAL | 0.9007 |
44 | NAB | 0.9001 |
45 | NGA GAL | 0.8996 |
46 | 6EN | 0.8995 |
47 | 43S | 0.8991 |
48 | CZ0 | 0.8991 |
49 | BEM BEM | 0.8985 |
50 | IXM | 0.8973 |
51 | A2G GAL | 0.8972 |
52 | ISX | 0.8970 |
53 | BQZ | 0.8958 |
54 | EZB | 0.8954 |
55 | ZT2 | 0.8950 |
56 | GAL FUC | 0.8949 |
57 | BNY | 0.8948 |
58 | NAG GC4 | 0.8928 |
59 | IA2 | 0.8917 |
60 | BGC SGA | 0.8896 |
61 | DSQ | 0.8895 |
62 | MYG | 0.8887 |
63 | 5DN | 0.8885 |
64 | 5E1 | 0.8881 |
65 | NAG GCD | 0.8875 |
66 | NAG GAD | 0.8875 |
67 | 636 | 0.8869 |
68 | 5E2 | 0.8867 |
69 | MBG GAL | 0.8866 |
70 | DZ1 | 0.8864 |
71 | EUN | 0.8859 |
72 | 581 | 0.8858 |
73 | SDT | 0.8855 |
74 | 64I | 0.8855 |
75 | MTA | 0.8852 |
76 | 683 | 0.8852 |
77 | RR7 GLC | 0.8851 |
78 | XYS XYP | 0.8849 |
79 | ACK | 0.8846 |
80 | MGC GAL | 0.8842 |
81 | NKH | 0.8836 |
82 | 6GR | 0.8824 |
83 | MA1 GLC | 0.8824 |
84 | G54 | 0.8823 |
85 | 6JP | 0.8822 |
86 | LM7 | 0.8818 |
87 | MVL BMA | 0.8818 |
88 | LAM | 0.8815 |
89 | NOS | 0.8810 |
90 | JRO | 0.8809 |
91 | GRI | 0.8806 |
92 | NAG BDP | 0.8803 |
93 | FXE | 0.8801 |
94 | 38E | 0.8801 |
95 | GLO BGC | 0.8796 |
96 | GAL PHB | 0.8794 |
97 | MAV BEM | 0.8794 |
98 | 19E | 0.8793 |
99 | 9CE | 0.8790 |
100 | IW6 | 0.8789 |
101 | BRY | 0.8788 |
102 | ZZ1 GLA | 0.8788 |
103 | LG7 | 0.8783 |
104 | 9RM | 0.8778 |
105 | NDG GAD | 0.8778 |
106 | LU2 | 0.8772 |
107 | NFG | 0.8771 |
108 | UX0 | 0.8767 |
109 | XYP XYP | 0.8767 |
110 | GAT | 0.8763 |
111 | HDU | 0.8757 |
112 | MNY | 0.8753 |
113 | PIT | 0.8753 |
114 | STL | 0.8750 |
115 | QQX | 0.8749 |
116 | 113 | 0.8746 |
117 | 18E | 0.8746 |
118 | BMA MVL | 0.8746 |
119 | 6J3 | 0.8744 |
120 | TXQ | 0.8741 |
121 | D59 | 0.8739 |
122 | DMB | 0.8737 |
123 | CC6 | 0.8737 |
124 | B2L | 0.8728 |
125 | GWD | 0.8719 |
126 | XTS | 0.8718 |
127 | NOM | 0.8718 |
128 | AUE | 0.8717 |
129 | 147 | 0.8713 |
130 | GAL NPO | 0.8713 |
131 | NFL | 0.8712 |
132 | 6QT | 0.8711 |
133 | R75 | 0.8711 |
134 | U19 | 0.8707 |
135 | SNI | 0.8705 |
136 | FHI | 0.8704 |
137 | ADN | 0.8698 |
138 | OAK | 0.8697 |
139 | 1FL | 0.8696 |
140 | Z15 | 0.8694 |
141 | 041 | 0.8694 |
142 | MHB | 0.8690 |
143 | NGA GCD | 0.8686 |
144 | 7D0 | 0.8685 |
145 | UA2 | 0.8685 |
146 | TGW | 0.8683 |
147 | JZ8 | 0.8683 |
148 | XYS XYS | 0.8683 |
149 | JMS | 0.8682 |
150 | B2X | 0.8680 |
151 | 6BK | 0.8677 |
152 | MQS | 0.8676 |
153 | XDL XYP | 0.8674 |
154 | DY9 | 0.8666 |
155 | LI4 | 0.8664 |
156 | 47N | 0.8664 |
157 | QUE | 0.8663 |
158 | 17C | 0.8659 |
159 | GAL NAG | 0.8658 |
160 | 1EL | 0.8658 |
161 | NAR | 0.8654 |
162 | IMH | 0.8653 |
163 | JY4 | 0.8652 |
164 | HNA | 0.8652 |
165 | UL1 | 0.8652 |
166 | 36K | 0.8648 |
167 | AD3 | 0.8647 |
168 | 1YL | 0.8645 |
169 | 5I5 | 0.8642 |
170 | Q11 | 0.8638 |
171 | FL9 | 0.8637 |
172 | GS1 GS1 | 0.8637 |
173 | IW2 | 0.8636 |
174 | E44 | 0.8635 |
175 | K3Q 7CV | 0.8633 |
176 | D2M | 0.8632 |
177 | MYC | 0.8631 |
178 | PCQ | 0.8624 |
179 | 5NB | 0.8623 |
180 | CJZ | 0.8622 |
181 | BXZ | 0.8621 |
182 | SGP | 0.8620 |
183 | 6B5 | 0.8620 |
184 | T28 | 0.8619 |
185 | ACE TRP | 0.8615 |
186 | AGI | 0.8615 |
187 | MNX | 0.8615 |
188 | IIH | 0.8614 |
189 | AUG | 0.8612 |
190 | 553 | 0.8601 |
191 | HMD | 0.8600 |
192 | TVC | 0.8598 |
193 | XYP XYS | 0.8598 |
194 | MBG NAG | 0.8598 |
195 | 1V8 | 0.8597 |
196 | 7FZ | 0.8595 |
197 | 6UW | 0.8592 |
198 | E3Y | 0.8591 |
199 | VAO | 0.8588 |
200 | MGI | 0.8586 |
201 | 5ID | 0.8584 |
202 | 8WB | 0.8584 |
203 | 4GU | 0.8582 |
204 | ID8 | 0.8579 |
205 | CWE | 0.8576 |
206 | 2QV | 0.8571 |
207 | TVD GAL | 0.8570 |
208 | Z89 | 0.8562 |
209 | CB1 | 0.8562 |
210 | 334 | 0.8560 |
211 | T34 | 0.8560 |
212 | 2QU | 0.8560 |
213 | TLF | 0.8548 |
214 | NE1 | 0.8542 |
215 | DZ3 | 0.8541 |
216 | KN1 | 0.8535 |
217 | X2M | 0.8535 |
218 | XMM | 0.8533 |
219 | 6EL | 0.8532 |
220 | JNW | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 1ax2.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |