- 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 5 families. | |||||
1 | 1C7R | - | PA5 | C5 H11 O9 P | C([C@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1C7R | - | PA5 | C5 H11 O9 P | C([C@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | R10 | 1 | 1 |
2 | PA5 | 1 | 1 |
3 | 6PG | 0.72973 | 1 |
4 | LG6 | 0.72973 | 1 |
5 | F6R | 0.641026 | 0.916667 |
6 | TG6 | 0.641026 | 0.916667 |
7 | DER | 0.638889 | 1 |
8 | DEZ | 0.638889 | 1 |
9 | 2FP | 0.609756 | 0.942857 |
10 | PAN | 0.609756 | 0.702128 |
11 | P6T | 0.609756 | 0.942857 |
12 | P6F | 0.609756 | 0.942857 |
13 | 9C2 | 0.595238 | 0.6875 |
14 | GOS | 0.588235 | 0.914286 |
15 | M2P | 0.588235 | 0.914286 |
16 | KD0 | 0.55814 | 1 |
17 | I22 | 0.534884 | 0.916667 |
18 | LXP | 0.526316 | 0.837838 |
19 | LX1 | 0.526316 | 0.861111 |
20 | A5P | 0.526316 | 0.837838 |
21 | DX5 | 0.526316 | 0.837838 |
22 | 4TP | 0.525 | 0.829268 |
23 | O1B | 0.520833 | 0.647059 |
24 | S6P | 0.512821 | 0.861111 |
25 | HMS | 0.512195 | 0.891892 |
26 | 5RP | 0.512195 | 0.891892 |
27 | 5SP | 0.512195 | 0.891892 |
28 | 52L | 0.5 | 0.755556 |
29 | DXP | 0.5 | 0.861111 |
30 | G6Q | 0.5 | 0.970588 |
31 | DG6 | 0.487805 | 0.815789 |
32 | TX4 | 0.487805 | 0.659574 |
33 | R5P | 0.487805 | 0.970588 |
34 | R52 | 0.487805 | 0.970588 |
35 | 3PG | 0.486486 | 0.941176 |
36 | HG3 | 0.485714 | 0.882353 |
37 | DG2 | 0.475 | 0.911765 |
38 | RUB | 0.465116 | 0.888889 |
39 | AGP | 0.465116 | 0.704545 |
40 | RES | 0.465116 | 0.702128 |
41 | XBP | 0.465116 | 0.888889 |
42 | M6R | 0.465116 | 0.704545 |
43 | 1NT | 0.45098 | 1 |
44 | FQ8 | 0.444444 | 0.864865 |
45 | LRY | 0.44 | 0.75 |
46 | H4P | 0.4375 | 0.727273 |
47 | SEP | 0.425 | 0.707317 |
48 | E4P | 0.425 | 0.911765 |
49 | 22H | 0.413793 | 0.693878 |
50 | CAP | 0.408163 | 0.918919 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | D6P | 0.9375 |
2 | PMV | 0.9183 |
3 | EGV | 0.9169 |
4 | S8G | 0.9136 |
5 | 5LD | 0.9131 |
6 | M3L | 0.9127 |
7 | PTB | 0.9125 |
8 | ATX | 0.9082 |
9 | IPD | 0.9071 |
10 | HSA | 0.9033 |
11 | 5WN | 0.9025 |
12 | IBP | 0.9021 |
13 | 6C4 | 0.8996 |
14 | 1PS | 0.8993 |
15 | GFP | 0.8978 |
16 | SG3 | 0.8973 |
17 | KYN | 0.8973 |
18 | 2J3 | 0.8971 |
19 | AZM | 0.8966 |
20 | IPE | 0.8962 |
21 | IJ6 | 0.8960 |
22 | F6P | 0.8959 |
23 | ARG | 0.8957 |
24 | PLP | 0.8953 |
25 | ZON | 0.8952 |
26 | E8U | 0.8947 |
27 | ZZU | 0.8944 |
28 | CIR | 0.8923 |
29 | ILO | 0.8922 |
30 | ALA GLU | 0.8909 |
31 | 5DL | 0.8889 |
32 | MZM | 0.8885 |
33 | GLY GLY GLY | 0.8885 |
34 | 6DP | 0.8880 |
35 | MVH | 0.8873 |
36 | XI7 | 0.8864 |
37 | VFG | 0.8862 |
38 | CXA | 0.8858 |
39 | DI9 | 0.8857 |
40 | M3Q | 0.8857 |
41 | R8Y | 0.8854 |
42 | LIP | 0.8852 |
43 | 58X | 0.8846 |
44 | 2O8 | 0.8842 |
45 | NPI | 0.8841 |
46 | IFG | 0.8838 |
47 | 3XR | 0.8835 |
48 | DAR | 0.8829 |
49 | WT2 | 0.8828 |
50 | AHL | 0.8828 |
51 | P4F | 0.8828 |
52 | U7E | 0.8828 |
53 | 3W3 | 0.8822 |
54 | 3W6 | 0.8822 |
55 | G14 | 0.8821 |
56 | ZZA | 0.8818 |
57 | VM1 | 0.8818 |
58 | S46 | 0.8817 |
59 | EYY | 0.8817 |
60 | 6HN | 0.8814 |
61 | 0F3 | 0.8812 |
62 | MLY | 0.8809 |
63 | DA3 | 0.8809 |
64 | SYE | 0.8802 |
65 | GGB | 0.8800 |
66 | 6MW | 0.8800 |
67 | DED | 0.8796 |
68 | EXY | 0.8793 |
69 | LEL | 0.8788 |
70 | IOS | 0.8788 |
71 | RGP | 0.8787 |
72 | DMA | 0.8787 |
73 | I2E | 0.8780 |
74 | D1G | 0.8777 |
75 | NFZ | 0.8775 |
76 | 2OR | 0.8770 |
77 | IAC | 0.8769 |
78 | 49P | 0.8767 |
79 | 0OY | 0.8766 |
80 | SSC | 0.8760 |
81 | HAR | 0.8760 |
82 | G6P | 0.8760 |
83 | MQB | 0.8756 |
84 | R1P | 0.8756 |
85 | VUR | 0.8755 |
86 | BZS | 0.8753 |
87 | NGA | 0.8752 |
88 | 5OY | 0.8749 |
89 | 3LJ | 0.8748 |
90 | 3GV | 0.8747 |
91 | MD6 | 0.8742 |
92 | EYJ | 0.8741 |
93 | EF9 | 0.8738 |
94 | 6C9 | 0.8735 |
95 | BG6 | 0.8735 |
96 | CFA | 0.8732 |
97 | JX7 | 0.8732 |
98 | 4JK | 0.8731 |
99 | TZP | 0.8730 |
100 | ISJ | 0.8729 |
101 | PRO GLY | 0.8723 |
102 | YI6 | 0.8721 |
103 | 5TO | 0.8720 |
104 | PDC | 0.8720 |
105 | JFM | 0.8718 |
106 | PUE | 0.8716 |
107 | 3VW | 0.8714 |
108 | GAE | 0.8712 |
109 | X1P | 0.8710 |
110 | M6P | 0.8710 |
111 | 3IB | 0.8709 |
112 | EUH | 0.8709 |
113 | 7QS | 0.8707 |
114 | EFF | 0.8707 |
115 | 0OL | 0.8704 |
116 | UA5 | 0.8703 |
117 | 657 | 0.8702 |
118 | DTR | 0.8697 |
119 | XRX | 0.8697 |
120 | XEN | 0.8696 |
121 | GGG | 0.8695 |
122 | 6FR | 0.8695 |
123 | N4E | 0.8694 |
124 | F98 | 0.8692 |
125 | 2UZ | 0.8690 |
126 | BSA | 0.8690 |
127 | BGT | 0.8689 |
128 | 67X | 0.8689 |
129 | CT0 | 0.8689 |
130 | 6FG | 0.8688 |
131 | MNP | 0.8687 |
132 | GF1 | 0.8686 |
133 | D2G | 0.8684 |
134 | TBJ | 0.8684 |
135 | 37E | 0.8682 |
136 | 3CX | 0.8681 |
137 | TAG | 0.8678 |
138 | NK5 | 0.8676 |
139 | IPR | 0.8672 |
140 | HLP | 0.8669 |
141 | 5DS | 0.8667 |
142 | ZPF | 0.8664 |
143 | 4I8 | 0.8663 |
144 | REG | 0.8662 |
145 | HL6 | 0.8662 |
146 | IN2 | 0.8662 |
147 | NSG | 0.8661 |
148 | NAG | 0.8660 |
149 | IOP | 0.8659 |
150 | PAU | 0.8655 |
151 | EQA | 0.8655 |
152 | 6C5 | 0.8649 |
153 | CSN | 0.8645 |
154 | BGP | 0.8643 |
155 | KLS | 0.8643 |
156 | S3P | 0.8640 |
157 | 5GT | 0.8639 |
158 | NMM | 0.8639 |
159 | 4BX | 0.8638 |
160 | M5H | 0.8636 |
161 | PFL | 0.8631 |
162 | QIF | 0.8630 |
163 | KAP | 0.8625 |
164 | 94E | 0.8622 |
165 | 3VR | 0.8621 |
166 | TOH | 0.8619 |
167 | 3KJ | 0.8617 |
168 | X6P | 0.8616 |
169 | AEP | 0.8612 |
170 | NLA | 0.8611 |
171 | RP3 | 0.8610 |
172 | LLH | 0.8609 |
173 | 3EB | 0.8607 |
174 | IPT | 0.8607 |
175 | I4D | 0.8605 |
176 | FZ0 | 0.8604 |
177 | FWB | 0.8603 |
178 | ISC | 0.8602 |
179 | IS3 | 0.8602 |
180 | PMP | 0.8599 |
181 | 4R1 | 0.8599 |
182 | NLG | 0.8597 |
183 | 3VQ | 0.8597 |
184 | 8U3 | 0.8595 |
185 | BZQ | 0.8595 |
186 | JF4 | 0.8592 |
187 | CRB | 0.8591 |
188 | 1VK | 0.8590 |
189 | YE6 | 0.8588 |
190 | FWD | 0.8588 |
191 | TA6 | 0.8588 |
192 | F1X | 0.8586 |
193 | NVU | 0.8584 |
194 | BL0 | 0.8583 |
195 | 3C5 | 0.8583 |
196 | ING | 0.8581 |
197 | 2FY | 0.8578 |
198 | BZM | 0.8577 |
199 | 3PO | 0.8576 |
200 | PD2 | 0.8576 |
201 | G3M | 0.8576 |
202 | PPK | 0.8574 |
203 | GHQ | 0.8573 |
204 | AES | 0.8568 |
205 | MKN | 0.8565 |
206 | M7P | 0.8563 |
207 | KED | 0.8560 |
208 | 15L | 0.8559 |
209 | 5PV | 0.8559 |
210 | 88L | 0.8558 |
211 | AOZ | 0.8556 |
212 | JVA | 0.8555 |
213 | HNM | 0.8552 |
214 | 6R8 | 0.8550 |
215 | 7FF | 0.8535 |
216 | STV | 0.8531 |
217 | NIR | 0.8529 |
218 | 2JJ | 0.8529 |
219 | CUW | 0.8529 |
220 | 8VN | 0.8526 |
221 | OA1 | 0.8522 |
222 | 9KH | 0.8508 |
This union binding pocket(no: 1) in the query (biounit: 1c7r.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1c7r.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1c7r.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1c7r.bio2) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1c7r.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1c7r.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |