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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 10 families. | |||||
1 | 2QES | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
2 | 2QET | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
3 | 1J1R | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
4 | 1J1S | - | FMP | C10 H14 N5 O7 P | c1nc2c(c(n.... |
5 | 1D6A | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
6 | 1QCJ | - | APT | C14 H13 N6 O3 | c1cc(ccc1C.... |
7 | 1QCI | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
8 | 3LE7 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 6 families. | |||||
1 | 5DDZ | - | ASP ASP ASP MET GLY PHE GLY LEU PHE ASP | n/a | n/a |
2 | 4MX5 | ic50 = 28 uM | 5MX | C17 H17 N7 O4 | c1ccc(cc1).... |
3 | 4HV7 | ic50 = 300 uM | 19J | C11 H11 N7 O5 | c1c(nc2c(n.... |
4 | 3PX8 | ic50 = 230 uM | JP2 | C7 H5 N5 O3 | c1c(nc2c(n.... |
5 | 5GU4 | Kd = 3.4 uM | ASP ASP MET GLY PHE GLY LEU PHE ASP | n/a | n/a |
6 | 1BR6 | Ki = 0.6 mM | PT1 | C14 H12 N6 O3 | c1cc(ccc1C.... |
7 | 4ESI | ic50 = 70 uM | 0RB | C10 H9 N9 O2 | c1c([nH]nn.... |
8 | 4HV3 | ic50 = 115 uM | 19L | C21 H20 N8 O6 | c1ccc2c(c1.... |
9 | 1BR5 | Ki > 2 mM | NEO | C9 H11 N5 O4 | c1c(nc2c(n.... |
10 | 3EJ5 | ic50 = 0.27 mM | EJ5 | C14 H15 N3 O4 | c1cc(ccc1C.... |
11 | 4MX1 | ic50 = 209 uM | 1MX | C16 H16 N8 O3 | c1ccc(cc1).... |
12 | 3PX9 | ic50 = 380 uM | JP3 | C12 H10 N6 O3 | c1cc(oc1)C.... |
13 | 4HUO | ic50 = 20 uM | RS8 | C18 H17 N7 O5 | c1ccc(cc1).... |
14 | 2P8N | Kd = 0.7 mM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
15 | 1J1M | - | GLC GLC | n/a | n/a |
16 | 4Q2V | - | 0XE | C21 H18 O11 | c1ccc(cc1).... |
17 | 6URY | ic50 = 400 uM | R6T | C14 H9 N O2 | c1ccc2c(c1.... |
18 | 4HUP | ic50 = 15 uM | 19M | C27 H26 N8 O6 | c1ccc(cc1).... |
19 | 1IFS | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
20 | 1IFU | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
21 | 3HIO | - | C2X | C51 H72 N21 O29 P5 | CO[C@@H]1[.... |
22 | 6URX | ic50 = 181 uM | JMG | C11 H8 O2 S | c1ccc(cc1).... |
23 | 2PJO | Kd = 900 mM | NMU | C2 H6 N2 O | CNC(=O)N |
24 | 2R3D | Kd = 1.4 M | ACM | C2 H5 N O | CC(=O)N |
25 | 6URW | ic50 = 32 uM | R7T | C12 H10 O2 S | c1cc(sc1)C.... |
26 | 6LOZ | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
27 | 6LP0 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
28 | 6LOY | - | D5M | C10 H14 N5 O6 P | c1nc(c2c(n.... |
29 | 1MRH | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
30 | 6LOQ | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
31 | 6LOV | - | 4UO | C10 H12 N4 O6 | c1nc2c(n1[.... |
32 | 1MRG | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
33 | 6LOR | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
34 | 3KU0 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
35 | 2QET | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
36 | 1LPC | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
37 | 1GIU | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
38 | 1MRK | - | FMC | C10 H13 N5 O4 | c1nc2c(c(n.... |
39 | 1QD2 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
40 | 1TCS | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
41 | 1MRJ | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
42 | 1NLI | Kd = 260 uM | ADE | C5 H5 N5 | c1[nH]c2c(.... |
43 | 1GIS | - | DA | C10 H14 N5 O6 P | c1nc(c2c(n.... |
44 | 1AHB | - | FMP | C10 H14 N5 O7 P | c1nc2c(c(n.... |
45 | 1AHA | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
46 | 3N1N | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
47 | 3V2K | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
48 | 3RL9 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
49 | 3SJ6 | - | RIP | C5 H10 O5 | C1[C@H]([C.... |
50 | 3U6Z | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
51 | 1J1S | - | FMP | C10 H14 N5 O7 P | c1nc2c(c(n.... |
52 | 1D6A | - | GUN | C5 H5 N5 O | c1[nH]c2c(.... |
53 | 1QCJ | - | APT | C14 H13 N6 O3 | c1cc(ccc1C.... |
54 | 1QCI | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
55 | 3LE7 | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
56 | 5Z3J | - | NCA | C6 H6 N2 O | c1cc(cnc1).... |
57 | 5Z3I | - | ADE | C5 H5 N5 | c1[nH]c2c(.... |
58 | 3HIW | Ki = 3.9 nM | C2X | C51 H72 N21 O29 P5 | CO[C@@H]1[.... |
59 | 3HIV | Ki = 7.5 nM | TXN | C37 H52 N15 O20 P3 | CO[C@@H]1[.... |
60 | 3HIT | Ki = 6.4 nM | DYN | C30 H47 N10 O17 P3 | CO[C@@H]1[.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IMP | 0.9826 |
2 | 5GP | 0.9702 |
3 | AMP MG | 0.9691 |
4 | LMS | 0.9659 |
5 | 45A | 0.9652 |
6 | G | 0.9644 |
7 | ABM | 0.9642 |
8 | SRA | 0.9636 |
9 | DA | 0.9577 |
10 | 8OP | 0.9517 |
11 | 6MA | 0.9516 |
12 | DI | 0.9500 |
13 | AMZ | 0.9498 |
14 | D5M | 0.9494 |
15 | A3N | 0.9493 |
16 | 3DH | 0.9489 |
17 | C2R | 0.9462 |
18 | IMU | 0.9440 |
19 | XMP | 0.9440 |
20 | 71V | 0.9439 |
21 | AOC | 0.9435 |
22 | AS | 0.9418 |
23 | EO7 | 0.9417 |
24 | ZAS | 0.9417 |
25 | C | 0.9408 |
26 | 6MZ | 0.9402 |
27 | IRP | 0.9400 |
28 | N5O | 0.9383 |
29 | NIA | 0.9380 |
30 | 6OG | 0.9372 |
31 | G7M | 0.9360 |
32 | BRU | 0.9352 |
33 | TMP | 0.9350 |
34 | UFP | 0.9340 |
35 | DG | 0.9326 |
36 | DGP | 0.9325 |
37 | CNU | 0.9323 |
38 | 8GM | 0.9317 |
39 | NEC | 0.9311 |
40 | UP6 | 0.9303 |
41 | MTA | 0.9299 |
42 | 8BR | 0.9296 |
43 | 5FU | 0.9296 |
44 | JLN | 0.9296 |
45 | U5P | 0.9292 |
46 | MTM | 0.9289 |
47 | FNU | 0.9287 |
48 | MTH | 0.9287 |
49 | BMQ | 0.9263 |
50 | TKW | 0.9262 |
51 | C5P | 0.9260 |
52 | QBT | 0.9257 |
53 | 5CM | 0.9257 |
54 | 6RE | 0.9250 |
55 | J7C | 0.9250 |
56 | 7D5 | 0.9245 |
57 | BMP | 0.9241 |
58 | UMP | 0.9226 |
59 | H2U | 0.9220 |
60 | NWQ | 0.9219 |
61 | 5BU | 0.9189 |
62 | PRX | 0.9185 |
63 | RVP | 0.9174 |
64 | 93A | 0.9171 |
65 | U | 0.9165 |
66 | NMN | 0.9162 |
67 | O8M | 0.9156 |
68 | 5HM | 0.9139 |
69 | NYM | 0.9136 |
70 | 8OG | 0.9132 |
71 | DUS | 0.9132 |
72 | DSH | 0.9122 |
73 | 16B | 0.9122 |
74 | 6CG | 0.9119 |
75 | 5HU | 0.9118 |
76 | NUP | 0.9118 |
77 | NCN | 0.9101 |
78 | 9L3 | 0.9100 |
79 | S5P | 0.9098 |
80 | FDM | 0.9097 |
81 | MZP | 0.9097 |
82 | DU | 0.9092 |
83 | FAI | 0.9087 |
84 | 5IU | 0.9071 |
85 | PSU | 0.9065 |
86 | U4S | 0.9053 |
87 | DCM | 0.9050 |
88 | MTE | 0.9029 |
89 | ICR | 0.9027 |
90 | CAR | 0.9019 |
91 | MCF | 0.8993 |
92 | FN5 | 0.8992 |
93 | DC | 0.8984 |
94 | ADP | 0.8980 |
95 | GJV | 0.8972 |
96 | CA0 | 0.8969 |
97 | KG4 | 0.8968 |
98 | T3S | 0.8956 |
99 | Z8B | 0.8952 |
100 | N8M | 0.8952 |
101 | 6CN | 0.8950 |
102 | U6M | 0.8939 |
103 | 4X2 | 0.8924 |
104 | U1S | 0.8877 |
105 | 2DT | 0.8869 |
106 | D4M | 0.8869 |
107 | ADN | 0.8863 |
108 | U2S | 0.8861 |
109 | NWZ | 0.8858 |
110 | GDP | 0.8855 |
111 | A12 | 0.8855 |
112 | ADX | 0.8852 |
113 | A3P | 0.8830 |
114 | NOS | 0.8827 |
115 | EP4 | 0.8826 |
116 | CMP | 0.8825 |
117 | A4D | 0.8822 |
118 | 3F5 | 0.8822 |
119 | U3S | 0.8803 |
120 | AT4 | 0.8783 |
121 | DDN | 0.8779 |
122 | ATM | 0.8775 |
123 | CH | 0.8769 |
124 | NWW | 0.8769 |
125 | DBM | 0.8767 |
126 | SP1 | 0.8746 |
127 | AP2 | 0.8744 |
128 | GAP | 0.8736 |
129 | M33 | 0.8735 |
130 | AN2 | 0.8729 |
131 | IDP | 0.8724 |
132 | AU1 | 0.8715 |
133 | A2P | 0.8702 |
134 | O7E | 0.8693 |
135 | 7DD | 0.8693 |
136 | 3BH | 0.8642 |
137 | NYZ | 0.8635 |
138 | DAT | 0.8623 |
139 | K8W | 0.8616 |
140 | FGN | 0.8611 |
141 | IMO | 0.8609 |
142 | GNH | 0.8605 |
143 | AIR | 0.8586 |
144 | 4EZ | 0.8570 |
145 | 6SW | 0.8533 |
146 | EU2 | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 1j1r.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5Z3I | ADE | 45.5939 |