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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 1 families. | |||||
1 | 2E8X | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
2 | 2ZEV | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
3 | 2Z4V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
4 | 2E8W | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
5 | 2Z7H | Ki = 115 nM | GG3 | C14 H25 N O7 P2 | C[N@](CCCC.... |
6 | 2Z4Y | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
7 | 2Z4W | ic50 = 0.98 uM | 749 | C21 H38 O6 P2 | CC(=CCC/C(.... |
8 | 2E93 | - | B29 | C20 H18 O8 P2 | c1ccc2c(c1.... |
9 | 2E8U | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
10 | 2Z4X | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
11 | 2Z50 | ic50 = 11.22 uM | 028 | C7 H18 O7 P2 | CCCCCCC(O).... |
12 | 2Z7I | ic50 = 0.1 uM | 742 | C16 H38 O6 P3 | CCCCCCCCCC.... |
13 | 2E94 | - | 364 | C19 H20 N O7 P2 | c1ccc(cc1).... |
14 | 2E91 | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
15 | 2ZEU | - | B71 | C17 H32 N O7 P2 | CCCCCCCCCC.... |
16 | 2Z4Z | ic50 = 1.86 uM | SC0 | C17 H34 O6 P2 | CCCCCC=CCC.... |
17 | 2E92 | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
18 | 2E8V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
19 | 2Z52 | ic50 = 2.69 uM | H23 | C12 H28 O7 P2 | CCCCCCCCCC.... |
20 | 2E8T | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
21 | 2Z78 | - | H86 | C23 H34 F2 N O7 P2 | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2E8X | - | GPP | C10 H20 O7 P2 | CC(=CCC/C(.... |
2 | 2ZEV | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
3 | 2Z4V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
4 | 2E8W | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
5 | 2Z7H | Ki = 115 nM | GG3 | C14 H25 N O7 P2 | C[N@](CCCC.... |
6 | 2Z4Y | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
7 | 2Z4W | ic50 = 0.98 uM | 749 | C21 H38 O6 P2 | CC(=CCC/C(.... |
8 | 2E93 | - | B29 | C20 H18 O8 P2 | c1ccc2c(c1.... |
9 | 2E8U | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
10 | 2Z4X | ic50 = 0.71 uM | 252 | C9 H22 O7 P2 | CCCCCCCCC(.... |
11 | 2Z50 | ic50 = 11.22 uM | 028 | C7 H18 O7 P2 | CCCCCCC(O).... |
12 | 2Z7I | ic50 = 0.1 uM | 742 | C16 H38 O6 P3 | CCCCCCCCCC.... |
13 | 2E94 | - | 364 | C19 H20 N O7 P2 | c1ccc(cc1).... |
14 | 2E91 | - | ZOL | C5 H10 N2 O7 P2 | c1cn(cn1)C.... |
15 | 2ZEU | - | B71 | C17 H32 N O7 P2 | CCCCCCCCCC.... |
16 | 2Z4Z | ic50 = 1.86 uM | SC0 | C17 H34 O6 P2 | CCCCCC=CCC.... |
17 | 2E92 | - | M0N | C9 H12 N2 O7 P2 | c1ccn2c(c1.... |
18 | 2E8V | - | GRG | C20 H36 O7 P2 | CC(=CCC/C(.... |
19 | 2Z52 | ic50 = 2.69 uM | H23 | C12 H28 O7 P2 | CCCCCCCCCC.... |
20 | 2E8T | - | IPE | C5 H12 O7 P2 | CC(=C)CCO[.... |
21 | 2Z78 | - | H86 | C23 H34 F2 N O7 P2 | CCCCCCCCCC.... |
22 | 6R4V | Kd = 1.74 uM | BFQ | C9 H23 N O7 P2 | CCCCC[N@](.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IPE | 1 | 1 |
2 | IP8 | 0.617647 | 0.918919 |
3 | 0O3 | 0.589744 | 0.871795 |
4 | 0CJ | 0.536585 | 0.780488 |
5 | P23 | 0.527778 | 0.815789 |
6 | ISY | 0.487805 | 0.85 |
7 | DED | 0.487179 | 0.653061 |
8 | IPR | 0.475 | 0.820513 |
9 | P25 | 0.463415 | 0.825 |
10 | P22 | 0.444444 | 0.710526 |
11 | 43W | 0.439024 | 0.789474 |
12 | 0CH | 0.439024 | 0.731707 |
13 | EIP | 0.431818 | 0.846154 |
14 | DMA | 0.428571 | 0.794872 |
15 | 0JX | 0.428571 | 0.810811 |
16 | 0K2 | 0.418605 | 0.74359 |
17 | BHI | 0.413043 | 0.767442 |
18 | DP6 | 0.408163 | 0.785714 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IS3 | 0.9735 |
2 | 10D | 0.9529 |
3 | 10E | 0.9483 |
4 | H6P | 0.9440 |
5 | 10G | 0.9433 |
6 | DST | 0.9412 |
7 | 0CN | 0.9411 |
8 | 2JA | 0.9339 |
9 | 0CM | 0.9331 |
10 | 43Q | 0.9304 |
11 | RGP | 0.9261 |
12 | P3S | 0.9259 |
13 | 2E5 | 0.9200 |
14 | 2E4 | 0.9161 |
15 | AZM | 0.9151 |
16 | 2E6 | 0.9145 |
17 | PMV | 0.9124 |
18 | DLT | 0.9121 |
19 | HPO | 0.9081 |
20 | 0CG | 0.9079 |
21 | BGT | 0.9058 |
22 | 6FR | 0.9052 |
23 | I58 | 0.9029 |
24 | AGP | 0.9018 |
25 | G6Q | 0.9009 |
26 | MGB | 0.9008 |
27 | G88 | 0.9005 |
28 | 3PO | 0.8983 |
29 | DG2 | 0.8982 |
30 | ATX | 0.8980 |
31 | PA5 | 0.8962 |
32 | M3L | 0.8957 |
33 | 58X | 0.8948 |
34 | 5DS | 0.8936 |
35 | ZZU | 0.8923 |
36 | DI9 | 0.8915 |
37 | STX | 0.8907 |
38 | CXA | 0.8892 |
39 | HSA | 0.8888 |
40 | DX5 | 0.8882 |
41 | 5SP | 0.8881 |
42 | TX4 | 0.8878 |
43 | 5TO | 0.8855 |
44 | NLQ | 0.8854 |
45 | 88L | 0.8850 |
46 | PAN | 0.8834 |
47 | NFZ | 0.8833 |
48 | CIR | 0.8833 |
49 | PPK | 0.8830 |
50 | 5RP | 0.8824 |
51 | ARG | 0.8824 |
52 | 4TP | 0.8823 |
53 | ALA GLU | 0.8820 |
54 | 0F3 | 0.8819 |
55 | 3CX | 0.8813 |
56 | GGB | 0.8813 |
57 | RES | 0.8811 |
58 | ILO | 0.8811 |
59 | GGG | 0.8808 |
60 | 4NP | 0.8793 |
61 | 2OR | 0.8792 |
62 | EGV | 0.8790 |
63 | PNP | 0.8789 |
64 | PAU | 0.8787 |
65 | DAR | 0.8787 |
66 | 3UF | 0.8784 |
67 | NBB | 0.8784 |
68 | AHL | 0.8776 |
69 | 4MB | 0.8774 |
70 | R52 | 0.8774 |
71 | R5P | 0.8774 |
72 | CU0 | 0.8771 |
73 | NLG | 0.8757 |
74 | M3C | 0.8756 |
75 | 3W3 | 0.8755 |
76 | A5P | 0.8753 |
77 | PTB | 0.8753 |
78 | GVA | 0.8752 |
79 | 2J3 | 0.8749 |
80 | HCT | 0.8743 |
81 | 5LD | 0.8743 |
82 | GRQ | 0.8736 |
83 | 64Z | 0.8733 |
84 | 4NS | 0.8732 |
85 | HRG | 0.8732 |
86 | D5X | 0.8731 |
87 | VFG | 0.8731 |
88 | 3EB | 0.8730 |
89 | DXP | 0.8730 |
90 | HAR | 0.8728 |
91 | HCA | 0.8727 |
92 | HLP | 0.8723 |
93 | 6C5 | 0.8713 |
94 | MZM | 0.8712 |
95 | ASF | 0.8709 |
96 | S6P | 0.8702 |
97 | DEZ | 0.8697 |
98 | 6FG | 0.8697 |
99 | 5OY | 0.8693 |
100 | CPM | 0.8692 |
101 | PML | 0.8691 |
102 | WT2 | 0.8690 |
103 | 1OS | 0.8687 |
104 | M28 | 0.8684 |
105 | B15 | 0.8675 |
106 | XOG | 0.8672 |
107 | KAP | 0.8669 |
108 | FSA | 0.8669 |
109 | 6C8 | 0.8668 |
110 | 2O8 | 0.8666 |
111 | U4G | 0.8663 |
112 | 1PS | 0.8661 |
113 | 5PV | 0.8659 |
114 | HJ7 | 0.8649 |
115 | 1FD | 0.8647 |
116 | GG8 | 0.8647 |
117 | LGT | 0.8646 |
118 | GAE | 0.8643 |
119 | AES | 0.8640 |
120 | E79 | 0.8640 |
121 | IOP | 0.8638 |
122 | API | 0.8637 |
123 | VUR | 0.8637 |
124 | 6PG | 0.8634 |
125 | 3XR | 0.8622 |
126 | DER | 0.8612 |
127 | U7E | 0.8609 |
128 | FM4 | 0.8605 |
129 | 4JE | 0.8599 |
130 | 23N | 0.8596 |
131 | BSC | 0.8587 |
132 | GLY GLY GLY | 0.8579 |
133 | ING | 0.8576 |
134 | 2JJ | 0.8569 |
135 | EUE | 0.8565 |
136 | 0QA | 0.8564 |
137 | K4V | 0.8541 |
138 | LRW | 0.8540 |
139 | CS2 | 0.8539 |
140 | KDG | 0.8525 |
This union binding pocket(no: 1) in the query (biounit: 2z7i.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |