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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 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 9DG | n/a | n/a |
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 9DG | n/a | n/a |
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 | Kd = 0.42 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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HPA | 1 | 1 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | R1P | 1 | 1 |
2 | M1P | 0.852941 | 0.904762 |
3 | XGP | 0.852941 | 0.904762 |
4 | G1P | 0.852941 | 0.904762 |
5 | GL1 | 0.852941 | 0.904762 |
6 | RI2 | 0.609756 | 0.926829 |
7 | GFP | 0.571429 | 0.826087 |
8 | GP1 | 0.571429 | 0.76 |
9 | NG1 | 0.48 | 0.690909 |
10 | GN1 | 0.48 | 0.690909 |
11 | ALX | 0.465116 | 0.904762 |
12 | BNX | 0.465116 | 0.904762 |
13 | TRE | 0.45 | 0.622222 |
14 | T6P | 0.44 | 0.844444 |
15 | AMG | 0.439024 | 0.6 |
16 | GYP | 0.439024 | 0.6 |
17 | MBG | 0.439024 | 0.6 |
18 | MMA | 0.439024 | 0.6 |
19 | G16 | 0.4375 | 0.840909 |
20 | YO5 | 0.418605 | 0.8 |
21 | GPM | 0.418605 | 0.8 |
22 | MVP | 0.418182 | 0.808511 |
23 | PRP | 0.411765 | 0.951219 |
24 | PPC | 0.411765 | 0.886364 |
25 | GMB | 0.403846 | 0.840909 |
This union binding pocket(no: 1) in the query (biounit: 1b8o.bio1) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2BOS | GLA GAL GLC | None |
2 | 2BOS | GLA GAL GLC NBU | None |
3 | 1TE2 | PGA | None |
4 | 3ACC | 5GP | 1.10497 |
5 | 3LRE | ADP | 1.40845 |
6 | 2BZG | SAH | 1.72414 |
7 | 3E4O | SIN | 1.76056 |
8 | 4TXJ | THM | 2.11268 |
9 | 5W75 | SUC | 2.11268 |
10 | 2Z9I | GLY ALA THR VAL | 2.11268 |
11 | 3VSE | SAH | 2.11268 |
12 | 5YRL | GLC GLC | 2.11268 |
13 | 5YRM | BGC GLC | 2.11268 |
14 | 5JJU | AMP | 2.11268 |
15 | 4UEC | MGT | 2.17391 |
16 | 2C5S | AMP | 2.17918 |
17 | 3EUF | BAU | 2.46479 |
18 | 4QAR | ADE | 2.48756 |
19 | 1MVQ | MMA | 2.54237 |
20 | 4DE3 | DN8 | 2.6616 |
21 | 1UKG | MMA | 2.77778 |
22 | 1Q8Q | MAN MMA | 2.77778 |
23 | 2GMP | NAG MAN | 2.77778 |
24 | 2GMM | MAN MAN | 2.77778 |
25 | 1Q8P | MAN MMA | 2.77778 |
26 | 2PHF | MAN MAN BMA MAN | 2.77778 |
27 | 2PHX | MAN MAN | 2.77778 |
28 | 1Q8S | MAN MMA | 2.77778 |
29 | 2PHR | MAN MAN | 2.77778 |
30 | 3FAX | BGC GLC GLC | 2.8169 |
31 | 2WPB | ZZI | 2.8169 |
32 | 1PNF | NDG NAG | 2.8169 |
33 | 5WS9 | OXL | 2.8169 |
34 | 1BGV | GLU | 2.8169 |
35 | 2QHV | OC9 | 2.85714 |
36 | 1JE1 | GMP | 2.9661 |
37 | 2G7C | GLA GAL NAG | 3.13725 |
38 | 1LCF | OXL | 3.16901 |
39 | 6DND | PLP | 3.16901 |
40 | 2G50 | PYR | 3.16901 |
41 | 2ZC0 | PMP | 3.16901 |
42 | 4J8O | SAH | 3.44828 |
43 | 3BGD | SAH | 3.46154 |
44 | 5C5T | AKG | 3.50877 |
45 | 3C3D | FO1 | 3.52113 |
46 | 4HY1 | 19X | 3.52113 |
47 | 6EWR | PMP | 3.52113 |
48 | 3THR | C2F | 3.87324 |
49 | 6AR9 | 3L4 | 4.04412 |
50 | 5HV0 | AKG | 4.14747 |
51 | 3ROE | THM | 4.15094 |
52 | 2OQ2 | A3P | 4.21456 |
53 | 5TE1 | 7A2 | 4.22535 |
54 | 1CT9 | GLN | 4.22535 |
55 | 2BQP | GLC | 4.2735 |
56 | 1RJW | ETF | 4.57746 |
57 | 4BMX | ADE | 4.78088 |
58 | 4D1J | DGJ | 4.92958 |
59 | 3ZX4 | 2M8 | 5.01931 |
60 | 4FFS | BIG | 5.02092 |
61 | 1QO0 | BMD | 5.10204 |
62 | 1MFI | FHC | 5.26316 |
63 | 2JLD | ALA GLY GLY ALA ALA ALA ALA ALA | 5.28169 |
64 | 4ZM4 | PLP | 5.28169 |
65 | 4IMG | NGF | 5.28169 |
66 | 3HQP | OXL | 5.28169 |
67 | 5DNK | SAH | 5.28169 |
68 | 3F4F | UMP | 5.38922 |
69 | 6ACS | CIT | 5.42636 |
70 | 2IVD | ACJ | 5.6338 |
71 | 3FW3 | GLC | 5.6391 |
72 | 3BJE | URA | 5.98592 |
73 | 3P0F | BAU | 5.98592 |
74 | 5G6U | TRP | 6.13027 |
75 | 6AYR | BIG | 6.30252 |
76 | 3KVY | URA | 6.33803 |
77 | 2D2F | ADP | 6.4 |
78 | 1ZOS | MTM | 6.52174 |
79 | 2GUE | NAG | 6.55738 |
80 | 2HYQ | MAN MAN | 6.55738 |
81 | 2GUD | BMA | 6.55738 |
82 | 2GUD | MAN | 6.55738 |
83 | 3NB0 | G6P | 6.69014 |
84 | 3HAV | ATP | 6.69014 |
85 | 3LGS | SAH | 6.74157 |
86 | 3LGS | ADE | 6.74157 |
87 | 4WKC | BIG | 6.93878 |
88 | 2CHT | TSA | 7.08661 |
89 | 1ODJ | GMP | 7.23404 |
90 | 5HX1 | UMP | 7.24638 |
91 | 5WHU | SIA GAL GLC | 7.38255 |
92 | 5IN3 | G1P | 7.39437 |
93 | 2IZ1 | ATR | 7.74648 |
94 | 4AG5 | ADP | 7.74648 |
95 | 3FSY | SCA | 7.74648 |
96 | 5LFV | SIA GAL NAG | 7.74648 |
97 | 2OG2 | MLI | 7.74648 |
98 | 4WKB | TDI | 7.78689 |
99 | 5YSI | NCA | 7.89474 |
100 | 3KO0 | TFP | 7.92079 |
101 | 4YJK | URA | 7.93651 |
102 | 2XFE | GAL GAL | 8.03571 |
103 | 1KAH | HIS | 8.09859 |
104 | 1GPM | AMP | 8.4507 |
105 | 5KZD | RCJ | 8.80282 |
106 | 2V73 | SIA | 8.90052 |
107 | 2PZE | ATP | 9.17031 |
108 | 2J9D | AMP | 9.2437 |
109 | 1PZM | 5GP | 10.4265 |
110 | 1U1F | 183 | 10.5469 |
111 | 5H4S | RAM | 10.5634 |
112 | 1UA4 | GLC | 10.9155 |
113 | 1UA4 | BGC | 10.9155 |
114 | 5O0J | GLC | 10.9155 |
115 | 4FK7 | P34 | 11.3537 |
116 | 2IDO | TMP | 11.828 |
117 | 3JDW | ORN | 12.6761 |
118 | 2H7C | SIA | 13.7324 |
119 | 2JBH | 5GP | 14.6667 |
120 | 3BL6 | FMC | 16.087 |
121 | 4XJ2 | FMN | 19.1489 |
122 | 1OFS | SUC | 20.8333 |
123 | 3QPB | URA | 20.922 |
124 | 5F7J | ADE | 31.338 |
125 | 2A8Y | MTA | 34.8148 |
126 | 4GLJ | RHB | 39.0845 |
127 | 1K27 | MTM | 44.523 |
128 | 1C3X | 8IG | 48.1203 |
This union binding pocket(no: 2) in the query (biounit: 1b8o.bio2) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1XF1 | CIT | 2.11268 |
2 | 2GNB | MAN | 2.77778 |
3 | 5Z21 | OXM | 3.16901 |
4 | 4NRT | 2NG | 3.52113 |
5 | 1YFS | ALA | 4.22535 |
6 | 4RKC | PMP | 4.22535 |
7 | 4QM9 | CYS | 5.78035 |
8 | 5H41 | IFM | 5.98592 |
9 | 1BC5 | ACE ASN TRP GLU THR PHE | 11.1524 |
10 | 1NKI | PPF | 14.0741 |
This union binding pocket(no: 3) in the query (biounit: 1b8o.bio2) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1b8o.bio2) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |