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- Structure Biounit | Ligand Information
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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 20 families. | |||||
1 | 5IHE | - | D5M | C10 H14 N5 O6 P | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 5IHE | - | D5M | C10 H14 N5 O6 P | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DA | 1 | 1 |
2 | D5M | 1 | 1 |
3 | DAT | 0.816901 | 0.971831 |
4 | AS | 0.808824 | 0.945205 |
5 | DTP | 0.773333 | 0.971831 |
6 | DZ4 | 0.763158 | 0.945205 |
7 | 3D1 | 0.707692 | 0.833333 |
8 | 3L1 | 0.707692 | 0.833333 |
9 | DOI | 0.68 | 0.916667 |
10 | 6MA | 0.68 | 0.957747 |
11 | 5F1 | 0.661765 | 0.816901 |
12 | 101 | 0.613333 | 0.943662 |
13 | CPA | 0.585859 | 0.860759 |
14 | 7D5 | 0.581081 | 0.890411 |
15 | 6OG | 0.580247 | 0.932432 |
16 | 103 | 0.578947 | 0.849315 |
17 | AMP | 0.558442 | 0.902778 |
18 | A | 0.558442 | 0.902778 |
19 | A3P | 0.54321 | 0.902778 |
20 | DDS | 0.528736 | 0.916667 |
21 | A2P | 0.52439 | 0.915493 |
22 | CUU | 0.517647 | 0.90411 |
23 | DG | 0.511905 | 0.894737 |
24 | DGP | 0.511905 | 0.894737 |
25 | HF7 | 0.511111 | 0.958333 |
26 | ZDA | 0.505747 | 0.826667 |
27 | ABM | 0.5 | 0.853333 |
28 | 45A | 0.5 | 0.853333 |
29 | 3AT | 0.494382 | 0.90411 |
30 | 7D3 | 0.493976 | 0.866667 |
31 | ADP | 0.482353 | 0.878378 |
32 | A2D | 0.481928 | 0.853333 |
33 | KF5 | 0.479452 | 0.652778 |
34 | V3L | 0.477778 | 0.878378 |
35 | DI | 0.476744 | 0.893333 |
36 | AMP MG | 0.47561 | 0.863014 |
37 | 2AM | 0.475 | 0.902778 |
38 | PPS | 0.472527 | 0.792683 |
39 | PAP | 0.47191 | 0.890411 |
40 | ADX | 0.471264 | 0.771084 |
41 | 7D4 | 0.471264 | 0.866667 |
42 | BA3 | 0.470588 | 0.853333 |
43 | A12 | 0.470588 | 0.893333 |
44 | AP2 | 0.470588 | 0.893333 |
45 | 3AM | 0.469136 | 0.888889 |
46 | MDR | 0.467532 | 0.780822 |
47 | ATP | 0.465909 | 0.878378 |
48 | HEJ | 0.465909 | 0.878378 |
49 | B4P | 0.465116 | 0.853333 |
50 | AP5 | 0.465116 | 0.853333 |
51 | AQP | 0.460674 | 0.878378 |
52 | APC | 0.460674 | 0.893333 |
53 | PRX | 0.460674 | 0.855263 |
54 | 2A5 | 0.460674 | 0.905405 |
55 | 5FA | 0.460674 | 0.878378 |
56 | 3AD | 0.460526 | 0.791667 |
57 | AT4 | 0.45977 | 0.844156 |
58 | AN2 | 0.45977 | 0.866667 |
59 | J4G | 0.459184 | 0.881579 |
60 | OVE | 0.457831 | 0.866667 |
61 | SRA | 0.457831 | 0.855263 |
62 | ATR | 0.455556 | 0.902778 |
63 | CA0 | 0.454545 | 0.831169 |
64 | AU1 | 0.454545 | 0.855263 |
65 | M33 | 0.454545 | 0.842105 |
66 | 2FD | 0.45 | 0.802632 |
67 | KG4 | 0.449438 | 0.831169 |
68 | ACP | 0.449438 | 0.88 |
69 | 50T | 0.449438 | 0.866667 |
70 | 25A | 0.447917 | 0.878378 |
71 | 7D7 | 0.445946 | 0.753425 |
72 | ACQ | 0.445652 | 0.88 |
73 | T99 | 0.445652 | 0.844156 |
74 | TAT | 0.445652 | 0.844156 |
75 | APR | 0.444444 | 0.853333 |
76 | AR6 | 0.444444 | 0.853333 |
77 | A1R | 0.443299 | 0.894737 |
78 | A3R | 0.443299 | 0.894737 |
79 | ADP MG | 0.443182 | 0.851351 |
80 | ADP BEF | 0.443182 | 0.851351 |
81 | RAB | 0.44 | 0.756757 |
82 | ADN | 0.44 | 0.756757 |
83 | XYA | 0.44 | 0.756757 |
84 | AD9 | 0.43956 | 0.855263 |
85 | AGS | 0.43956 | 0.833333 |
86 | ADV | 0.43956 | 0.868421 |
87 | RBY | 0.43956 | 0.868421 |
88 | CL9 | 0.4375 | 0.802632 |
89 | AV2 | 0.43617 | 0.853333 |
90 | NA7 | 0.434343 | 0.918919 |
91 | 6YZ | 0.431579 | 0.88 |
92 | ANP | 0.430108 | 0.855263 |
93 | ADS THS THS THS | 0.42735 | 0.767442 |
94 | A2R | 0.427083 | 0.866667 |
95 | HQG | 0.427083 | 0.866667 |
96 | SON | 0.426966 | 0.893333 |
97 | V2G | 0.425532 | 0.858974 |
98 | 5AL | 0.425532 | 0.842105 |
99 | 8LE | 0.425532 | 0.810127 |
100 | ANZ | 0.424528 | 0.7875 |
101 | APC MG | 0.423913 | 0.853333 |
102 | ADP PO3 | 0.423913 | 0.851351 |
103 | ATP MG | 0.423913 | 0.851351 |
104 | QA7 | 0.42268 | 0.810127 |
105 | GGZ | 0.42268 | 0.768293 |
106 | A22 | 0.42268 | 0.866667 |
107 | 3DH | 0.421687 | 0.714286 |
108 | TM1 | 0.421569 | 0.741176 |
109 | ATF | 0.421053 | 0.844156 |
110 | ALF ADP | 0.421053 | 0.7875 |
111 | ANP MG | 0.421053 | 0.842105 |
112 | BEF ADP | 0.419355 | 0.828947 |
113 | 5SV | 0.418367 | 0.835443 |
114 | ARJ | 0.417722 | 0.712329 |
115 | 8LH | 0.416667 | 0.820513 |
116 | SRP | 0.416667 | 0.868421 |
117 | DGI | 0.414894 | 0.883117 |
118 | GAP | 0.414894 | 0.807692 |
119 | KL2 | 0.414634 | 0.824324 |
120 | MTA | 0.414634 | 0.714286 |
121 | ADQ | 0.414141 | 0.831169 |
122 | 4AD | 0.414141 | 0.857143 |
123 | ZZB | 0.412281 | 0.761905 |
124 | ACK | 0.411765 | 0.847222 |
125 | QQY | 0.411765 | 0.802632 |
126 | LMS | 0.411765 | 0.75 |
127 | FYA | 0.411765 | 0.917808 |
128 | PTJ | 0.411765 | 0.8125 |
129 | NB8 | 0.411765 | 0.835443 |
130 | 5N5 | 0.410256 | 0.733333 |
131 | DLL | 0.41 | 0.842105 |
132 | MAP | 0.408163 | 0.833333 |
133 | 8LQ | 0.408163 | 0.844156 |
134 | CC5 | 0.407895 | 0.777778 |
135 | VO4 ADP | 0.40625 | 0.855263 |
136 | 3UK | 0.405941 | 0.831169 |
137 | NWW | 0.405063 | 0.69863 |
138 | A4D | 0.405063 | 0.733333 |
139 | 5CD | 0.405063 | 0.743243 |
140 | 9ZA | 0.40404 | 0.822785 |
141 | 8QN | 0.40404 | 0.842105 |
142 | 9ZD | 0.40404 | 0.822785 |
143 | OOB | 0.40404 | 0.842105 |
144 | OZV | 0.40404 | 0.853333 |
145 | 9SN | 0.403846 | 0.790123 |
146 | DTA | 0.402439 | 0.75 |
147 | A3G | 0.402299 | 0.763158 |
148 | NEC | 0.402299 | 0.688312 |
149 | 2VA | 0.402174 | 0.717949 |
150 | 5X8 | 0.402174 | 0.75 |
151 | B5V | 0.401961 | 0.820513 |
152 | PR8 | 0.401961 | 0.860759 |
153 | WAQ | 0.401961 | 0.87013 |
154 | AMO | 0.4 | 0.868421 |
155 | AFX | 0.4 | 0.625 |
156 | 5AS | 0.4 | 0.727273 |
157 | PAJ | 0.4 | 0.780488 |
158 | QQX | 0.4 | 0.792208 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | IMP | 0.9716 |
2 | TMP | 0.9583 |
3 | 5GP | 0.9581 |
4 | UMP | 0.9575 |
5 | G | 0.9554 |
6 | UFP | 0.9510 |
7 | FMP | 0.9494 |
8 | BRU | 0.9453 |
9 | IRP | 0.9451 |
10 | 6CG | 0.9443 |
11 | QBT | 0.9441 |
12 | NYM | 0.9410 |
13 | EO7 | 0.9409 |
14 | XMP | 0.9407 |
15 | 8OG | 0.9404 |
16 | C | 0.9388 |
17 | 6MZ | 0.9371 |
18 | 71V | 0.9368 |
19 | IMU | 0.9360 |
20 | C2R | 0.9346 |
21 | DCM | 0.9339 |
22 | 5HU | 0.9316 |
23 | FDM | 0.9312 |
24 | AMZ | 0.9308 |
25 | U5P | 0.9307 |
26 | NIA | 0.9299 |
27 | 8BR | 0.9294 |
28 | 5IU | 0.9294 |
29 | 8GM | 0.9289 |
30 | AOC | 0.9284 |
31 | DU | 0.9275 |
32 | ZAS | 0.9251 |
33 | BMP | 0.9248 |
34 | G7M | 0.9240 |
35 | 8OP | 0.9234 |
36 | 5FU | 0.9232 |
37 | UMC | 0.9227 |
38 | 4X2 | 0.9227 |
39 | U | 0.9223 |
40 | DUS | 0.9219 |
41 | C5P | 0.9216 |
42 | UP6 | 0.9213 |
43 | PFU | 0.9206 |
44 | JLN | 0.9203 |
45 | N5O | 0.9200 |
46 | CMP | 0.9200 |
47 | BMQ | 0.9197 |
48 | H2U | 0.9188 |
49 | DC | 0.9171 |
50 | T3S | 0.9165 |
51 | Z8B | 0.9158 |
52 | A3N | 0.9153 |
53 | 5BU | 0.9152 |
54 | 2DT | 0.9143 |
55 | 6SW | 0.9135 |
56 | MTM | 0.9123 |
57 | 9L3 | 0.9120 |
58 | TKW | 0.9117 |
59 | NUP | 0.9107 |
60 | D4M | 0.9105 |
61 | MTH | 0.9100 |
62 | 5CM | 0.9095 |
63 | 93A | 0.9092 |
64 | S5P | 0.9071 |
65 | FNU | 0.9070 |
66 | FN5 | 0.9066 |
67 | DDN | 0.9063 |
68 | SSI | 0.9058 |
69 | 5HM | 0.9057 |
70 | CAR | 0.9057 |
71 | NMN | 0.9052 |
72 | CNU | 0.9048 |
73 | PSU | 0.9033 |
74 | EP4 | 0.9028 |
75 | MZP | 0.9026 |
76 | RVP | 0.9024 |
77 | RP1 | 0.8998 |
78 | 3Q0 | 0.8997 |
79 | NWQ | 0.8992 |
80 | 7CH | 0.8968 |
81 | FAI | 0.8964 |
82 | SP1 | 0.8964 |
83 | 16B | 0.8955 |
84 | ATM | 0.8952 |
85 | NCN | 0.8951 |
86 | DOC | 0.8950 |
87 | 3Q1 | 0.8941 |
88 | U4S | 0.8936 |
89 | U6M | 0.8933 |
90 | O7E | 0.8925 |
91 | 6RE | 0.8912 |
92 | 3F5 | 0.8908 |
93 | DSH | 0.8899 |
94 | KB7 | 0.8899 |
95 | 2GE | 0.8872 |
96 | PCG | 0.8871 |
97 | J7C | 0.8868 |
98 | TXS | 0.8862 |
99 | 6CN | 0.8857 |
100 | 0RA | 0.8837 |
101 | 460 | 0.8835 |
102 | PWH | 0.8834 |
103 | 3Q2 | 0.8832 |
104 | MCF | 0.8819 |
105 | T3P | 0.8813 |
106 | U1S | 0.8810 |
107 | BVP | 0.8809 |
108 | MTE | 0.8802 |
109 | SU1 | 0.8798 |
110 | 35G | 0.8798 |
111 | U3S | 0.8796 |
112 | MT6 | 0.8794 |
113 | FMC | 0.8784 |
114 | U2S | 0.8774 |
115 | GDP | 0.8773 |
116 | 581 | 0.8769 |
117 | 8QB | 0.8769 |
118 | JFX | 0.8731 |
119 | HDU | 0.8725 |
120 | CH | 0.8723 |
121 | IXF | 0.8704 |
122 | 9W8 | 0.8689 |
123 | 6SZ | 0.8666 |
124 | IYX | 0.8657 |
125 | 9RK | 0.8651 |
126 | 6U5 | 0.8647 |
127 | JW5 | 0.8629 |
128 | GNG | 0.8628 |
129 | 75G | 0.8616 |
130 | GLY NIY | 0.8614 |
131 | SNP | 0.8604 |
132 | NWZ | 0.8586 |
133 | 7PM | 0.8584 |
134 | 6F3 | 0.8580 |
135 | LIT | 0.8579 |
136 | 100 | 0.8577 |
137 | 566 | 0.8572 |
138 | GNH | 0.8566 |
139 | 9ST | 0.8562 |
140 | 873 | 0.8553 |
141 | J90 | 0.8545 |
142 | IMO | 0.8537 |
143 | HPR | 0.8532 |
144 | 665 | 0.8532 |
145 | PRH | 0.8522 |
146 | IMH | 0.8505 |
This union binding pocket(no: 2) in the query (biounit: 5ihe.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5I85 | PC | 2.91595 |