- 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 7 families. | |||||
1 | 3K8C | - | RES | C4 H10 N O8 P | C([C@H]([C.... |
2 | 3K7S | - | R52 | C5 H11 O8 P | C([C@H]([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 3PH3 | - | RB5 | C5 H10 O5 | C([C@H]([C.... |
2 | 3PH4 | - | AOS | C6 H12 O6 | C([C@H]([C.... |
3 | 2VVQ | - | R10 | C5 H11 O9 P | C([C@H]([C.... |
4 | 2VVO | ic50 = 6.3 mM | A6P | C6 H13 O9 P | C([C@@H]1[.... |
5 | 2VVP | - | R52 | C5 H11 O8 P | C([C@H]([C.... |
6 | 2BES | Ki = 0.057 mM | RES | C4 H10 N O8 P | C([C@H]([C.... |
7 | 2BET | Ki = 1.7 mM | DEZ | C4 H9 O8 P | C([C@H]([C.... |
8 | 3HEE | - | R5P | C5 H11 O8 P | C(C(C(C(C=.... |
9 | 3K8C | - | RES | C4 H10 N O8 P | C([C@H]([C.... |
10 | 3K7S | - | R52 | C5 H11 O8 P | C([C@H]([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | R52 | 1 | 1 |
2 | R5P | 1 | 1 |
3 | G6Q | 0.722222 | 1 |
4 | E4P | 0.647059 | 0.939394 |
5 | GOS | 0.606061 | 0.941176 |
6 | M2P | 0.606061 | 0.941176 |
7 | DX5 | 0.540541 | 0.861111 |
8 | A5P | 0.540541 | 0.861111 |
9 | LX1 | 0.540541 | 0.885714 |
10 | LXP | 0.540541 | 0.861111 |
11 | S6P | 0.526316 | 0.885714 |
12 | 6PG | 0.5 | 0.970588 |
13 | LG6 | 0.5 | 0.970588 |
14 | TX4 | 0.5 | 0.673913 |
15 | HG3 | 0.5 | 0.852941 |
16 | DG6 | 0.5 | 0.837838 |
17 | R10 | 0.487805 | 0.970588 |
18 | PA5 | 0.487805 | 0.970588 |
19 | LRY | 0.479167 | 0.767442 |
20 | AGP | 0.47619 | 0.72093 |
21 | M6R | 0.47619 | 0.72093 |
22 | TG6 | 0.465116 | 0.942857 |
23 | F6R | 0.465116 | 0.942857 |
24 | G3H | 0.459459 | 0.909091 |
25 | FQ8 | 0.454545 | 0.888889 |
26 | H4P | 0.446809 | 0.744186 |
27 | P6F | 0.444444 | 0.970588 |
28 | PAN | 0.444444 | 0.717391 |
29 | 2FP | 0.444444 | 0.970588 |
30 | I22 | 0.444444 | 0.942857 |
31 | P6T | 0.444444 | 0.970588 |
32 | KD0 | 0.434783 | 0.970588 |
33 | 9C2 | 0.434783 | 0.702128 |
34 | 5SP | 0.418605 | 0.916667 |
35 | HMS | 0.418605 | 0.916667 |
36 | 5RP | 0.418605 | 0.916667 |
37 | 52L | 0.416667 | 0.733333 |
38 | DEZ | 0.414634 | 0.970588 |
39 | DER | 0.414634 | 0.970588 |
40 | PAI | 0.411765 | 0.727273 |
41 | G3P | 0.405405 | 0.828571 |
42 | 1GP | 0.405405 | 0.828571 |
43 | DXP | 0.404762 | 0.885714 |
44 | XDP | 0.4 | 0.888889 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RES | 0.9938 |
2 | HC4 | 0.9175 |
3 | PLP | 0.9174 |
4 | 4NP | 0.9174 |
5 | 4TP | 0.9170 |
6 | YI6 | 0.9166 |
7 | HSX | 0.9156 |
8 | 9GB | 0.9127 |
9 | A6P | 0.9116 |
10 | 0F3 | 0.9092 |
11 | AZM | 0.9090 |
12 | GGG | 0.9068 |
13 | PMV | 0.9062 |
14 | EUE | 0.9046 |
15 | S0W | 0.9042 |
16 | SG3 | 0.9041 |
17 | PNP | 0.9041 |
18 | E8U | 0.9039 |
19 | MP5 | 0.9029 |
20 | RYV | 0.9025 |
21 | STT | 0.9012 |
22 | P9E | 0.9011 |
23 | P81 | 0.9004 |
24 | PTB | 0.8984 |
25 | GLY GLY GLY | 0.8977 |
26 | 2JJ | 0.8976 |
27 | D5X | 0.8975 |
28 | UA5 | 0.8970 |
29 | ZEC | 0.8968 |
30 | HPP | 0.8961 |
31 | STX | 0.8960 |
32 | HSA | 0.8949 |
33 | 3W8 | 0.8949 |
34 | GRF | 0.8949 |
35 | 3VS | 0.8929 |
36 | 4FE | 0.8924 |
37 | 5LD | 0.8923 |
38 | MRU | 0.8921 |
39 | RP3 | 0.8917 |
40 | 5OO | 0.8911 |
41 | PLR | 0.8911 |
42 | M1T | 0.8911 |
43 | 5OY | 0.8910 |
44 | ENO | 0.8909 |
45 | BL0 | 0.8908 |
46 | ATX | 0.8907 |
47 | S0E | 0.8904 |
48 | M3L | 0.8901 |
49 | 4CM | 0.8898 |
50 | F1P | 0.8890 |
51 | BCH | 0.8888 |
52 | 3W3 | 0.8879 |
53 | 3W6 | 0.8879 |
54 | P80 | 0.8878 |
55 | EGV | 0.8877 |
56 | EFF | 0.8874 |
57 | CFA | 0.8873 |
58 | 1X4 | 0.8869 |
59 | LO1 | 0.8865 |
60 | G6P | 0.8861 |
61 | IS2 | 0.8861 |
62 | VFG | 0.8860 |
63 | 11C | 0.8857 |
64 | N4E | 0.8855 |
65 | 2QC | 0.8847 |
66 | D6P | 0.8838 |
67 | PC | 0.8835 |
68 | 14W | 0.8833 |
69 | LUQ | 0.8833 |
70 | AES | 0.8832 |
71 | M6P | 0.8829 |
72 | PMP | 0.8828 |
73 | JQ5 | 0.8827 |
74 | 7UC | 0.8826 |
75 | 5O6 | 0.8821 |
76 | 4BY | 0.8814 |
77 | 8SZ | 0.8811 |
78 | F4K | 0.8802 |
79 | 5DL | 0.8800 |
80 | AHC | 0.8798 |
81 | F6P | 0.8797 |
82 | C82 | 0.8791 |
83 | EZL | 0.8790 |
84 | QIV | 0.8786 |
85 | OQC | 0.8785 |
86 | EPE | 0.8783 |
87 | DHM | 0.8782 |
88 | K4V | 0.8780 |
89 | ZZU | 0.8778 |
90 | SSC | 0.8778 |
91 | PPT | 0.8776 |
92 | IPE | 0.8774 |
93 | 7MW | 0.8774 |
94 | 1AE | 0.8772 |
95 | GHQ | 0.8761 |
96 | DZA | 0.8754 |
97 | 6FG | 0.8753 |
98 | 3ZB | 0.8752 |
99 | 8EU | 0.8748 |
100 | UNJ | 0.8745 |
101 | 88L | 0.8741 |
102 | NK5 | 0.8731 |
103 | ABF | 0.8720 |
104 | 2OR | 0.8717 |
105 | 4JE | 0.8707 |
106 | 4CF | 0.8705 |
107 | 1FD | 0.8703 |
108 | 2FM | 0.8701 |
109 | 492 | 0.8693 |
110 | 2NP | 0.8692 |
111 | LGT | 0.8690 |
112 | 1FE | 0.8688 |
113 | MF3 | 0.8686 |
114 | YIP | 0.8681 |
115 | EE8 | 0.8678 |
116 | 8V8 | 0.8678 |
117 | HPO | 0.8678 |
118 | F02 | 0.8677 |
119 | MES | 0.8676 |
120 | JBZ | 0.8670 |
121 | DA3 | 0.8662 |
122 | UN1 | 0.8661 |
123 | TEG | 0.8659 |
124 | GB4 | 0.8648 |
125 | TA6 | 0.8646 |
126 | 1HS | 0.8642 |
127 | 4BF | 0.8636 |
128 | 3VQ | 0.8633 |
129 | C26 | 0.8627 |
130 | PSJ | 0.8626 |
131 | 0NX | 0.8623 |
132 | 0A1 | 0.8622 |
133 | RA7 | 0.8619 |
134 | 549 | 0.8618 |
135 | 6C4 | 0.8615 |
136 | SIZ | 0.8610 |
137 | P4F | 0.8607 |
138 | DMA | 0.8606 |
139 | E79 | 0.8593 |
140 | NMH | 0.8590 |
141 | 6XA | 0.8585 |
142 | D1Y | 0.8583 |
143 | 8CC | 0.8582 |
144 | IVL | 0.8582 |
145 | 9FH | 0.8578 |
146 | A7N | 0.8578 |
147 | 8D6 | 0.8574 |
148 | ZYX | 0.8572 |
149 | OHJ | 0.8570 |
150 | LPA | 0.8569 |
151 | LSQ | 0.8562 |
152 | ENG | 0.8558 |
153 | 4XF | 0.8558 |
154 | VD9 | 0.8557 |
155 | LLH | 0.8556 |
156 | CUW | 0.8553 |
157 | 2D2 | 0.8548 |
158 | GVA | 0.8539 |
This union binding pocket(no: 1) in the query (biounit: 3k7s.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3k7s.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3k7s.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3k7s.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |