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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 2ON6 | Ki = 172 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 2A0Y | Ki = 900 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
3 | 1RR6 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 2A0X | Ki = 950 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
5 | 3GB9 | - | A2F | C5 H4 F N5 | c1[nH]c2c(.... |
6 | 1RT9 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
7 | 5UGF | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
8 | 3BGS | Ki = 380 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
9 | 1RSZ | - | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
10 | 2A0W | Ki = 270 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
11 | 1B8O | Ki = 23 pM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
12 | 1A9T | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
13 | 1VFN | Ki = 2.5 uM | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
14 | 2QPL | ic50 = 18.9 uM | BTY | C6 H7 N5 O | Cc1cc2n(n1.... |
15 | 2AI1 | ic50 = 300 nM | P1G | C12 H16 N5 O8 P | c1nc2c(n1[.... |
16 | 1B8N | Ki = 30 pM | IMG | C11 H15 N5 O4 | c1c(c2c([n.... |
17 | 1A9S | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
18 | 2AI3 | ic50 = 5000 nM | P2G | C11 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 1LVU | Kd = 4.8 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
20 | 1A9P | - | 9DI | C11 H13 N3 O5 | c1c(c2c([n.... |
21 | 2AI2 | ic50 = 30 nM | P1D | C13 H16 N3 O8 P | c1c(c2c([n.... |
22 | 1V48 | Ki = 16 nM | HA1 | C10 H14 F2 N5 O4 P | c1nc2c(n1C.... |
23 | 1A9Q | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 3FUC | Kd = 190 pM | 9D9 | C11 H15 F2 N4 O4 P | c1c(c2c([n.... |
25 | 1A9R | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 1LV8 | Kd = 3.5 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
27 | 1FXU | - | GU7 | C10 H16 N6 O3 | c1nc2c(n1C.... |
28 | 4EAR | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
29 | 5ETJ | Kd = 66 pM | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
30 | 4EB8 | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2ON6 | Ki = 172 nM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
2 | 2A0Y | Ki = 900 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
3 | 1RR6 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
4 | 2A0X | Ki = 950 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
5 | 3GB9 | - | A2F | C5 H4 F N5 | c1[nH]c2c(.... |
6 | 1RT9 | - | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
7 | 5UGF | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
8 | 3BGS | Ki = 380 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
9 | 1RSZ | - | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
10 | 2A0W | Ki = 270 pM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
11 | 1B8O | Ki = 23 pM | IMH | C11 H14 N4 O4 | c1c(c2c([n.... |
12 | 1A9T | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
13 | 1VFN | Ki = 2.5 uM | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
14 | 2QPL | ic50 = 18.9 uM | BTY | C6 H7 N5 O | Cc1cc2n(n1.... |
15 | 2AI1 | ic50 = 300 nM | P1G | C12 H16 N5 O8 P | c1nc2c(n1[.... |
16 | 1B8N | Ki = 30 pM | IMG | C11 H15 N5 O4 | c1c(c2c([n.... |
17 | 1A9S | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
18 | 2AI3 | ic50 = 5000 nM | P2G | C11 H14 N5 O8 P | c1nc2c(n1[.... |
19 | 1LVU | Kd = 4.8 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
20 | 1A9P | - | 9DI | C11 H13 N3 O5 | c1c(c2c([n.... |
21 | 2AI2 | ic50 = 30 nM | P1D | C13 H16 N3 O8 P | c1c(c2c([n.... |
22 | 1V48 | Ki = 16 nM | HA1 | C10 H14 F2 N5 O4 P | c1nc2c(n1C.... |
23 | 1A9Q | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
24 | 3FUC | Kd = 190 pM | 9D9 | C11 H15 F2 N4 O4 P | c1c(c2c([n.... |
25 | 1A9R | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
26 | 1LV8 | Kd = 3.5 uM | 9PP | C9 H13 N6 O4 P | C[C@@H](Cn.... |
27 | 1FXU | - | GU7 | C10 H16 N6 O3 | c1nc2c(n1C.... |
28 | 5IFK | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
29 | 5TBT | - | CTN | C9 H13 N3 O5 | C1=CN(C(=O.... |
30 | 5TBU | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
31 | 5TBS | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
32 | 4EAR | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
33 | 5ETJ | Kd = 66 pM | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
34 | 4EB8 | - | IM5 | C12 H17 N5 O3 | c1c(c2c([n.... |
35 | 2P4S | Ki = 0.31 nM | DIH | C12 H17 N4 O3 | c1c(c2c([n.... |
36 | 3FB1 | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
37 | 3E9R | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
38 | 3E0Q | - | JFD | C4 H4 Br N3 O2 | C1(=C(NC(=.... |
39 | 3FNQ | - | HPA | C5 H4 N4 O | c1[nH]c2c(.... |
40 | 3FAZ | - | NOS | C10 H12 N4 O5 | c1nc2c(n1[.... |
41 | 3IEX | - | GMP | C10 H13 N5 O5 | c1nc2c(n1[.... |
42 | 3DJF | ic50 = 0.8 uM | BC3 | C12 H11 N5 O | c1cc(cnc1).... |
43 | 3F8W | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
44 | 1VMK | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GMP | 0.9977 |
2 | IMH | 0.9826 |
3 | ADN | 0.9808 |
4 | 9DI | 0.9795 |
5 | NOS | 0.9779 |
6 | CL9 | 0.9737 |
7 | GNG | 0.9736 |
8 | 4UO | 0.9701 |
9 | FMC | 0.9681 |
10 | MG7 | 0.9672 |
11 | TBN | 0.9638 |
12 | A | 0.9605 |
13 | MDR | 0.9583 |
14 | FMB | 0.9563 |
15 | MTA | 0.9559 |
16 | 5N5 | 0.9551 |
17 | 5AD | 0.9531 |
18 | 3BH | 0.9521 |
19 | 2FA | 0.9510 |
20 | 1DA | 0.9509 |
21 | 5ID | 0.9504 |
22 | 5FD | 0.9492 |
23 | 3D1 | 0.9485 |
24 | MTM | 0.9463 |
25 | NWW | 0.9440 |
26 | SNI | 0.9433 |
27 | CDY | 0.9418 |
28 | Y3J | 0.9413 |
29 | 5F1 | 0.9411 |
30 | A4D | 0.9407 |
31 | AFX | 0.9377 |
32 | MTP | 0.9369 |
33 | 5CD | 0.9360 |
34 | THM | 0.9358 |
35 | PRH | 0.9356 |
36 | 8OX | 0.9348 |
37 | 6MD | 0.9348 |
38 | MTH | 0.9341 |
39 | 5BT | 0.9330 |
40 | 8HG | 0.9315 |
41 | 5UD | 0.9310 |
42 | HPR | 0.9283 |
43 | FTU | 0.9278 |
44 | 3AD | 0.9274 |
45 | 6CR | 0.9273 |
46 | 5I5 | 0.9269 |
47 | FM1 | 0.9257 |
48 | DCF | 0.9251 |
49 | CFE | 0.9250 |
50 | RAB | 0.9238 |
51 | EKH | 0.9230 |
52 | NOC | 0.9223 |
53 | 7D7 | 0.9221 |
54 | TAL | 0.9220 |
55 | PUR | 0.9213 |
56 | 0DN | 0.9207 |
57 | FM2 | 0.9187 |
58 | DBM | 0.9182 |
59 | 5NB | 0.9172 |
60 | MCY | 0.9152 |
61 | 2FD | 0.9152 |
62 | ARJ | 0.9148 |
63 | Z8B | 0.9138 |
64 | 7CI | 0.9119 |
65 | IM5 | 0.9114 |
66 | 13A | 0.9112 |
67 | ID2 | 0.9096 |
68 | XYA | 0.9096 |
69 | XTS | 0.9081 |
70 | MTI | 0.9078 |
71 | 5MD | 0.9055 |
72 | NEO | 0.9046 |
73 | B86 | 0.9045 |
74 | GA2 | 0.9023 |
75 | SGP | 0.9020 |
76 | 3L1 | 0.9003 |
77 | 3DT | 0.8997 |
78 | URI | 0.8995 |
79 | CC5 | 0.8989 |
80 | 26A | 0.8983 |
81 | RPP | 0.8981 |
82 | HO4 | 0.8978 |
83 | KF5 | 0.8919 |
84 | TO1 | 0.8913 |
85 | LLT | 0.8908 |
86 | PE2 | 0.8903 |
87 | SA0 | 0.8900 |
88 | SGV | 0.8897 |
89 | H4B | 0.8880 |
90 | 2TU | 0.8865 |
91 | DUR | 0.8854 |
92 | 9UL | 0.8843 |
93 | 38B | 0.8840 |
94 | AC2 | 0.8838 |
95 | TR7 | 0.8832 |
96 | 5F7 | 0.8826 |
97 | AOJ | 0.8818 |
98 | CTE | 0.8816 |
99 | ZJB | 0.8813 |
100 | XYP AHR | 0.8812 |
101 | NEU | 0.8797 |
102 | ACE TRP | 0.8786 |
103 | DIH | 0.8784 |
104 | DCZ | 0.8784 |
105 | BVD | 0.8752 |
106 | TRP | 0.8747 |
107 | NWD | 0.8743 |
108 | X2M | 0.8721 |
109 | CPW | 0.8690 |
110 | MPU | 0.8682 |
111 | NQ7 | 0.8682 |
112 | THU | 0.8674 |
113 | X29 | 0.8671 |
114 | BC3 | 0.8669 |
115 | 3Y7 | 0.8662 |
116 | RE4 | 0.8662 |
117 | PVK | 0.8657 |
118 | DBQ | 0.8644 |
119 | 96Z | 0.8641 |
120 | 88R | 0.8640 |
121 | 145 | 0.8637 |
122 | ID8 | 0.8636 |
123 | 6J3 | 0.8629 |
124 | 8OG | 0.8616 |
125 | 4P8 | 0.8603 |
126 | LTN | 0.8593 |
127 | ZIQ | 0.8588 |
128 | B1T | 0.8577 |
129 | 0GA | 0.8542 |
130 | Z16 | 0.8533 |
131 | 2UD | 0.8529 |
132 | NIY | 0.8527 |
This union binding pocket(no: 1) in the query (biounit: 1b8o.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1b8o.bio2) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1b8o.bio2) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1b8o.bio2) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |