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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 5 families. | |||||
1 | 1NGS | - | E4P | C4 H9 O7 P | C([C@H]([C.... |
2 | 1TKB | Kd = 0.000000064 M | N1T | C13 H19 N3 O7 P2 S | Cc1ccc(c(n.... |
3 | 1TRK | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
4 | 1GPU | - | THD | C14 H22 N4 O9 P2 S | Cc1ncc(c(n.... |
5 | 5HYV | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
6 | 5XSA | - | 8EL | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
7 | 5I5E | - | 5SP | C5 H11 O8 P | C([C@H]([C.... |
8 | 5XU9 | - | 8N9 | C14 H22 N4 O9 P2 S | Cc1ncc(c(n.... |
9 | 5XRV | - | F6R | C6 H13 O9 P | C([C@H]([C.... |
10 | 5XS6 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
11 | 5XSB | - | 8EL | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
12 | 5XSM | - | 8EO | C12 H21 N4 O7 P2 S | Cc1ncc(c(n.... |
13 | 5XUF | - | 8FL | C12 H20 N4 O8 P2 S | Cc1ncc(c(n.... |
14 | 5XVT | - | 8FL | C12 H20 N4 O8 P2 S | Cc1ncc(c(n.... |
15 | 5XTV | - | 8EF | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
16 | 5XQK | - | T5X | C17 H30 N4 O15 P3 S | Cc1c(sc([n.... |
17 | 5XPS | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
18 | 5I51 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
19 | 5XU2 | - | F6R | C6 H13 O9 P | C([C@H]([C.... |
20 | 5XT4 | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
21 | 5XTX | - | 8ML | C18 H33 N4 O16 P3 S | Cc1ncc(c(n.... |
22 | 5XT0 | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
23 | 5XQA | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
24 | 5XTL | - | 8GF | C5 H7 N3 | Cc1nccc(n1.... |
25 | 5HJE | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1R9J | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
2 | 1NGS | - | E4P | C4 H9 O7 P | C([C@H]([C.... |
3 | 1TKB | Kd = 0.000000064 M | N1T | C13 H19 N3 O7 P2 S | Cc1ccc(c(n.... |
4 | 1TRK | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
5 | 1GPU | - | THD | C14 H22 N4 O9 P2 S | Cc1ncc(c(n.... |
6 | 5HYV | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
7 | 5XSA | - | 8EL | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
8 | 5I5E | - | 5SP | C5 H11 O8 P | C([C@H]([C.... |
9 | 5XU9 | - | 8N9 | C14 H22 N4 O9 P2 S | Cc1ncc(c(n.... |
10 | 5XRV | - | F6R | C6 H13 O9 P | C([C@H]([C.... |
11 | 5XS6 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
12 | 5XSB | - | 8EL | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
13 | 5XSM | - | 8EO | C12 H21 N4 O7 P2 S | Cc1ncc(c(n.... |
14 | 5XUF | - | 8FL | C12 H20 N4 O8 P2 S | Cc1ncc(c(n.... |
15 | 5XVT | - | 8FL | C12 H20 N4 O8 P2 S | Cc1ncc(c(n.... |
16 | 5XTV | - | 8EF | C12 H20 N4 O7 P2 S | Cc1ncc(c(n.... |
17 | 5XQK | - | T5X | C17 H30 N4 O15 P3 S | Cc1c(sc([n.... |
18 | 5XPS | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
19 | 5I51 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
20 | 5XU2 | - | F6R | C6 H13 O9 P | C([C@H]([C.... |
21 | 5XT4 | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
22 | 5XTX | - | 8ML | C18 H33 N4 O16 P3 S | Cc1ncc(c(n.... |
23 | 5XT0 | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
24 | 5XQA | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
25 | 5XTL | - | 8GF | C5 H7 N3 | Cc1nccc(n1.... |
26 | 5HJE | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
27 | 5ND5 | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
28 | 6TJ8 | - | NDQ | C12 H19 N4 O8 P2 S | Cc1c(sc[n+.... |
29 | 6TJ9 | - | 5SP | C5 H11 O8 P | C([C@H]([C.... |
30 | 1QGD | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
31 | 2R5N | Kd = 700 uM | R5P | C5 H11 O8 P | C(C(C(C(C=.... |
32 | 2R8O | - | T5X | C17 H30 N4 O15 P3 S | Cc1c(sc([n.... |
33 | 2R8P | - | T6F | C18 H32 N4 O16 P3 S | Cc1c(sc([n.... |
34 | 5HHT | - | TDP | C12 H18 N4 O7 P2 S | Cc1c(sc[n+.... |
35 | 1ITZ | - | TPP | C12 H19 N4 O7 P2 S | Cc1c(sc[n+.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | F6R | 1 | 1 |
2 | TG6 | 1 | 1 |
3 | I22 | 0.74359 | 1 |
4 | P6T | 0.7 | 0.971429 |
5 | 2FP | 0.7 | 0.971429 |
6 | P6F | 0.7 | 0.971429 |
7 | 5SP | 0.641026 | 0.972222 |
8 | 5RP | 0.641026 | 0.972222 |
9 | R10 | 0.641026 | 0.916667 |
10 | HMS | 0.641026 | 0.972222 |
11 | PA5 | 0.641026 | 0.916667 |
12 | PAN | 0.581395 | 0.6875 |
13 | 9C2 | 0.568182 | 0.673469 |
14 | M2P | 0.555556 | 0.942857 |
15 | GOS | 0.555556 | 0.942857 |
16 | LG6 | 0.534884 | 0.916667 |
17 | 6PG | 0.534884 | 0.916667 |
18 | O1B | 0.530612 | 0.7 |
19 | SDD | 0.5 | 0.628571 |
20 | DX5 | 0.5 | 0.916667 |
21 | LPK | 0.5 | 0.628571 |
22 | A5P | 0.5 | 0.916667 |
23 | LX1 | 0.5 | 0.837838 |
24 | PSJ | 0.5 | 0.628571 |
25 | LXP | 0.5 | 0.916667 |
26 | KD0 | 0.5 | 0.916667 |
27 | TAG | 0.5 | 0.628571 |
28 | FUD | 0.5 | 0.628571 |
29 | SOL | 0.5 | 0.628571 |
30 | S6P | 0.487805 | 0.942857 |
31 | DER | 0.487805 | 0.916667 |
32 | DEZ | 0.487805 | 0.916667 |
33 | RUB | 0.477273 | 0.916667 |
34 | XBP | 0.477273 | 0.916667 |
35 | DXP | 0.47619 | 0.837838 |
36 | R52 | 0.465116 | 0.942857 |
37 | DG6 | 0.465116 | 0.891892 |
38 | R5P | 0.465116 | 0.942857 |
39 | TX4 | 0.465116 | 0.645833 |
40 | HG3 | 0.459459 | 0.805556 |
41 | 52L | 0.44898 | 0.702128 |
42 | RES | 0.444444 | 0.6875 |
43 | AGP | 0.444444 | 0.767442 |
44 | G6Q | 0.444444 | 0.942857 |
45 | M6R | 0.444444 | 0.767442 |
46 | 4TP | 0.431818 | 0.767442 |
47 | FQ8 | 0.425532 | 0.944444 |
48 | LRY | 0.423077 | 0.733333 |
49 | H4P | 0.42 | 0.790698 |
50 | 1NT | 0.407407 | 0.916667 |
51 | E4P | 0.404762 | 0.885714 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8EF | 1 | 1 |
2 | 8EO | 0.561798 | 0.860759 |
3 | 8EL | 0.544444 | 0.934211 |
4 | 8ML | 0.5 | 0.876543 |
5 | TZD | 0.48913 | 0.85 |
6 | 8FL | 0.478723 | 0.860759 |
7 | 1TP | 0.475248 | 0.77381 |
8 | TDN | 0.45 | 0.839506 |
9 | TDM | 0.44898 | 0.860759 |
10 | 8N9 | 0.445545 | 0.809524 |
11 | THD | 0.445545 | 0.809524 |
12 | TD7 | 0.438095 | 0.819277 |
13 | G8G | 0.416667 | 0.775 |
14 | TPU | 0.410526 | 0.743902 |
15 | TPW | 0.40625 | 0.766234 |
16 | QSP | 0.405405 | 0.8 |
17 | AUJ | 0.4 | 0.77381 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | TPP | 1 | 1 |
2 | V4E | 0.891892 | 1 |
3 | TDP | 0.84 | 0.985714 |
4 | TPS | 0.816901 | 0.957143 |
5 | NDQ | 0.769231 | 0.909091 |
6 | TMV | 0.769231 | 0.958333 |
7 | 2TP | 0.725 | 0.932432 |
8 | VNP | 0.721519 | 0.958904 |
9 | VIB | 0.621622 | 0.75 |
10 | PYI | 0.581395 | 0.887324 |
11 | HTL | 0.566667 | 0.958904 |
12 | TDW | 0.566667 | 0.972222 |
13 | AUJ | 0.55914 | 0.921053 |
14 | N1T | 0.556818 | 0.985714 |
15 | FTP | 0.551724 | 0.835616 |
16 | THV | 0.548387 | 0.958904 |
17 | TPW | 0.546512 | 0.9 |
18 | WWF | 0.542553 | 0.933333 |
19 | TD6 | 0.540816 | 0.921053 |
20 | THY | 0.536842 | 0.945946 |
21 | TOG | 0.536082 | 0.921053 |
22 | TDL | 0.53125 | 0.897436 |
23 | THW | 0.530612 | 0.958904 |
24 | TD9 | 0.53 | 0.921053 |
25 | TD8 | 0.53 | 0.921053 |
26 | TDK | 0.525773 | 0.921053 |
27 | D7K | 0.490566 | 0.909091 |
28 | R1T | 0.489362 | 0.887324 |
29 | S1T | 0.489362 | 0.887324 |
30 | TPU | 0.483146 | 0.842105 |
31 | 5SR | 0.479167 | 0.945205 |
32 | T6F | 0.476636 | 0.897436 |
33 | T5X | 0.476636 | 0.897436 |
34 | 1U0 | 0.474227 | 0.84 |
35 | 8PA | 0.459459 | 0.945946 |
36 | 8EO | 0.457447 | 0.92 |
37 | 8FL | 0.457447 | 0.894737 |
38 | TZD | 0.451613 | 0.883117 |
39 | O2T | 0.45098 | 0.909091 |
40 | TDM | 0.443299 | 0.894737 |
41 | 8EL | 0.442105 | 0.894737 |
42 | G8G | 0.44086 | 0.805195 |
43 | TDN | 0.415842 | 0.871795 |
44 | THD | 0.411765 | 0.839506 |
45 | 8N9 | 0.411765 | 0.839506 |
46 | MP5 | 0.407895 | 0.676056 |
47 | TD7 | 0.40566 | 0.85 |
48 | DPX | 0.4 | 0.734177 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | D6P | 0.9186 |
2 | EZL | 0.9128 |
3 | X1P | 0.9097 |
4 | G6P | 0.9085 |
5 | MRU | 0.9048 |
6 | M28 | 0.9008 |
7 | BG6 | 0.9008 |
8 | GLP | 0.8996 |
9 | AJG | 0.8966 |
10 | PMV | 0.8965 |
11 | S8G | 0.8962 |
12 | 3CX | 0.8947 |
13 | EFR | 0.8945 |
14 | EG0 | 0.8929 |
15 | 0QA | 0.8925 |
16 | QJ1 | 0.8920 |
17 | EP1 | 0.8914 |
18 | TFQ | 0.8912 |
19 | RYY | 0.8911 |
20 | GGG | 0.8901 |
21 | ALA GLU | 0.8897 |
22 | I58 | 0.8888 |
23 | TBJ | 0.8881 |
24 | B15 | 0.8877 |
25 | HSA | 0.8874 |
26 | VFM | 0.8865 |
27 | EUH | 0.8865 |
28 | M7P | 0.8863 |
29 | AJ1 | 0.8859 |
30 | PMP | 0.8848 |
31 | M3L | 0.8834 |
32 | CT0 | 0.8830 |
33 | PTR | 0.8825 |
34 | 72D | 0.8823 |
35 | M6P | 0.8821 |
36 | PTB | 0.8820 |
37 | D8X | 0.8818 |
38 | IJ6 | 0.8812 |
39 | 5KJ | 0.8808 |
40 | S62 | 0.8791 |
41 | 27K | 0.8790 |
42 | RYV | 0.8790 |
43 | REG | 0.8789 |
44 | 2J3 | 0.8789 |
45 | 6C5 | 0.8788 |
46 | 16G | 0.8779 |
47 | 6C4 | 0.8777 |
48 | 6C9 | 0.8777 |
49 | GPE | 0.8775 |
50 | 0F3 | 0.8773 |
51 | EPE | 0.8773 |
52 | LIP | 0.8763 |
53 | 8V8 | 0.8761 |
54 | 1OU | 0.8758 |
55 | 8EU | 0.8753 |
56 | EZ1 | 0.8750 |
57 | 3VR | 0.8745 |
58 | 6DH | 0.8741 |
59 | PLP | 0.8732 |
60 | EFF | 0.8731 |
61 | ILO | 0.8730 |
62 | 9VQ | 0.8722 |
63 | CIR | 0.8719 |
64 | PLR | 0.8717 |
65 | GPM | 0.8717 |
66 | NFZ | 0.8716 |
67 | VFG | 0.8715 |
68 | NK5 | 0.8714 |
69 | F6P | 0.8714 |
70 | U7E | 0.8713 |
71 | 1AE | 0.8713 |
72 | D1G | 0.8707 |
73 | EF0 | 0.8706 |
74 | JOT | 0.8704 |
75 | VGS | 0.8703 |
76 | TEF | 0.8703 |
77 | GHQ | 0.8697 |
78 | KYN | 0.8695 |
79 | ARG | 0.8694 |
80 | 1AJ | 0.8694 |
81 | PHQ ALA | 0.8693 |
82 | G1P | 0.8691 |
83 | 1PS | 0.8690 |
84 | RVE | 0.8680 |
85 | DI9 | 0.8680 |
86 | F1P | 0.8679 |
87 | L21 | 0.8678 |
88 | 4FE | 0.8678 |
89 | 9AG | 0.8676 |
90 | PAU | 0.8675 |
91 | ABF | 0.8674 |
92 | VFJ | 0.8672 |
93 | UN3 | 0.8668 |
94 | 5LD | 0.8663 |
95 | BGP | 0.8661 |
96 | 3LJ | 0.8661 |
97 | 250 | 0.8660 |
98 | HRG | 0.8650 |
99 | JBZ | 0.8650 |
100 | MP5 | 0.8648 |
101 | P93 | 0.8648 |
102 | M1P | 0.8646 |
103 | HMZ | 0.8643 |
104 | J1K | 0.8643 |
105 | 4AF | 0.8640 |
106 | 49P | 0.8639 |
107 | 0K7 | 0.8639 |
108 | CMU | 0.8638 |
109 | NZ9 | 0.8637 |
110 | F63 | 0.8637 |
111 | JV4 | 0.8633 |
112 | HLP | 0.8633 |
113 | D1Y | 0.8631 |
114 | BGT | 0.8630 |
115 | 8YH | 0.8628 |
116 | BVS | 0.8628 |
117 | RYJ | 0.8626 |
118 | 1OT | 0.8625 |
119 | IPR | 0.8624 |
120 | 5TO | 0.8622 |
121 | ENG | 0.8617 |
122 | F1X | 0.8616 |
123 | CXA | 0.8611 |
124 | XI7 | 0.8610 |
125 | 5O6 | 0.8609 |
126 | RI2 | 0.8607 |
127 | SSC | 0.8604 |
128 | IS2 | 0.8602 |
129 | 1ER | 0.8599 |
130 | DMA | 0.8599 |
131 | MZM | 0.8595 |
132 | G8V | 0.8591 |
133 | ZEC | 0.8583 |
134 | ALA GLN | 0.8583 |
135 | 3W3 | 0.8576 |
136 | 3W6 | 0.8576 |
137 | LC1 | 0.8575 |
138 | HSX | 0.8573 |
139 | EQA | 0.8571 |
140 | MKN | 0.8569 |
141 | YTZ | 0.8569 |
142 | I2E | 0.8566 |
143 | AE5 | 0.8565 |
144 | MUR | 0.8562 |
145 | FCW | 0.8562 |
146 | ZON | 0.8559 |
147 | RPN | 0.8557 |
148 | 4WF | 0.8557 |
149 | D9Z | 0.8556 |
150 | FNA | 0.8555 |
151 | ISJ | 0.8549 |
152 | 8VR | 0.8548 |
153 | S7G | 0.8544 |
154 | 5NR | 0.8537 |
155 | 848 | 0.8522 |
156 | HL6 | 0.8518 |
This union binding pocket(no: 1) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 5xu2.bio1) has 35 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |