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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 24 families. | |||||
1 | 1N1T | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
2 | 1N1V | Ki = 140 uM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
3 | 3PJQ | - | GLC GAL | n/a | n/a |
4 | 1S0J | - | MUS | C21 H25 N O11 | CC1=CC(=O).... |
5 | 1S0I | - | GLC GAL SIA | n/a | n/a |
6 | 1MS8 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
7 | 1MS0 | - | BGC GAL | n/a | n/a |
8 | 1MS9 | - | BGC GAL | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 1N1T | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
2 | 1N1V | Ki = 140 uM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
3 | 3PJQ | - | GLC GAL | n/a | n/a |
4 | 1S0J | - | MUS | C21 H25 N O11 | CC1=CC(=O).... |
5 | 1S0I | - | GLC GAL SIA | n/a | n/a |
6 | 1MS8 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
7 | 1MS0 | - | BGC GAL | n/a | n/a |
8 | 1MS9 | - | BGC GAL | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DAN | 1 | 1 |
2 | 9AM | 0.767857 | 0.913043 |
3 | GC9 | 0.754386 | 0.933333 |
4 | 4AM | 0.661017 | 0.913043 |
5 | ZMR | 0.615385 | 0.792453 |
6 | KFN | 0.542373 | 0.704545 |
7 | 49A | 0.507692 | 0.87234 |
8 | 0HX | 0.454545 | 0.75 |
9 | RP6 | 0.452055 | 0.934783 |
10 | LNV | 0.434211 | 0.701754 |
11 | FSI | 0.408451 | 0.82 |
12 | SLB | 0.4 | 0.911111 |
13 | SIA | 0.4 | 0.911111 |
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 | DF4 | 0.9792 |
2 | EQP | 0.9783 |
3 | E3M | 0.9765 |
4 | G28 | 0.9670 |
5 | AXP | 0.9657 |
6 | NGE | 0.9527 |
7 | SFJ | 0.9483 |
8 | NGC | 0.9350 |
9 | 2H8 | 0.9236 |
10 | MNA | 0.9230 |
11 | 9GW | 0.9201 |
12 | G39 | 0.9193 |
13 | ST4 | 0.9184 |
14 | 42D | 0.9176 |
15 | ST5 | 0.9150 |
16 | 9GT | 0.9105 |
17 | SIA CMO | 0.9051 |
18 | 18D | 0.9030 |
19 | MN0 | 0.9010 |
20 | GOH | 0.9001 |
21 | 9GQ | 0.8971 |
22 | 9GN | 0.8954 |
23 | ST6 | 0.8953 |
24 | SKD | 0.8936 |
25 | R2D | 0.8931 |
26 | 9GZ | 0.8929 |
27 | 5M8 | 0.8848 |
28 | NIM | 0.8848 |
29 | NG1 | 0.8783 |
30 | KDM | 0.8755 |
31 | KB8 | 0.8750 |
32 | GYG | 0.8720 |
33 | FID | 0.8714 |
34 | FIR | 0.8704 |
35 | A0O | 0.8700 |
36 | CNP | 0.8698 |
37 | KDN | 0.8670 |
38 | 3YW | 0.8654 |
39 | JT2 | 0.8647 |
40 | 3E2 | 0.8643 |
41 | JUO | 0.8627 |
42 | ST1 | 0.8622 |
43 | FIS | 0.8610 |
44 | G20 | 0.8608 |
45 | U2P | 0.8604 |
46 | 0L9 | 0.8587 |
47 | 53Q | 0.8567 |
48 | 3N4 | 0.8564 |
49 | GNT | 0.8564 |
50 | ET | 0.8550 |
51 | KLB | 0.8543 |
52 | SNG | 0.8532 |
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: 1ms9.bio2) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |