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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 1331 families. | |||||
1 | 5TK7 | - | 7D4 | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 5TK8 | - | 7D5 | C10 H14 N5 O6 P | c1nc(c2c(n.... |
3 | 5TK9 | - | 7D7 | C10 H13 N5 O3 | c1nc(c2c(n.... |
4 | 5TK6 | - | 7D3 | C10 H15 N5 O9 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 5TK7 | - | 7D4 | C10 H16 N5 O12 P3 | c1nc(c2c(n.... |
2 | 5TK8 | - | 7D5 | C10 H14 N5 O6 P | c1nc(c2c(n.... |
3 | 5TK9 | - | 7D7 | C10 H13 N5 O3 | c1nc(c2c(n.... |
4 | 5TK6 | - | 7D3 | C10 H15 N5 O9 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7D7 | 1 | 1 |
2 | 7D5 | 0.7 | 0.855072 |
3 | RAB | 0.660714 | 0.875 |
4 | ADN | 0.660714 | 0.875 |
5 | XYA | 0.660714 | 0.875 |
6 | 7D3 | 0.626866 | 0.830986 |
7 | 5N5 | 0.610169 | 0.846154 |
8 | A4D | 0.6 | 0.846154 |
9 | 5CD | 0.6 | 0.830769 |
10 | 7D4 | 0.591549 | 0.830986 |
11 | KL2 | 0.578125 | 0.760563 |
12 | QQX | 0.575758 | 0.72973 |
13 | 3AM | 0.575758 | 0.8 |
14 | 3AD | 0.57377 | 0.888889 |
15 | EP4 | 0.571429 | 0.771429 |
16 | 5AD | 0.568965 | 0.793651 |
17 | ACK | 0.567164 | 0.782609 |
18 | QQY | 0.567164 | 0.739726 |
19 | DTA | 0.5625 | 0.808824 |
20 | M2T | 0.5625 | 0.75 |
21 | 2AM | 0.560606 | 0.763889 |
22 | MTA | 0.553846 | 0.794118 |
23 | 3L1 | 0.548387 | 0.876923 |
24 | 3D1 | 0.548387 | 0.876923 |
25 | NWW | 0.548387 | 0.78125 |
26 | ZAS | 0.544118 | 0.760563 |
27 | A | 0.544118 | 0.763889 |
28 | AMP | 0.544118 | 0.763889 |
29 | 3DH | 0.537313 | 0.794118 |
30 | OVE | 0.536232 | 0.733333 |
31 | CC5 | 0.533333 | 0.84375 |
32 | Y3J | 0.532258 | 0.769231 |
33 | A3G | 0.528571 | 0.823529 |
34 | AOC | 0.528571 | 0.820895 |
35 | A3P | 0.527778 | 0.763889 |
36 | LMS | 0.521739 | 0.670732 |
37 | 6RE | 0.514286 | 0.753425 |
38 | SRA | 0.514286 | 0.723684 |
39 | AMP MG | 0.514286 | 0.774648 |
40 | A3S | 0.513514 | 0.835821 |
41 | 2A5 | 0.513158 | 0.746667 |
42 | DSH | 0.507042 | 0.788732 |
43 | A2P | 0.506849 | 0.75 |
44 | A3N | 0.5 | 0.808824 |
45 | 5X8 | 0.5 | 0.782609 |
46 | ABM | 0.5 | 0.743243 |
47 | A3T | 0.5 | 0.848485 |
48 | ADP | 0.5 | 0.743243 |
49 | 2VA | 0.5 | 0.823529 |
50 | A2D | 0.5 | 0.743243 |
51 | J7C | 0.5 | 0.763889 |
52 | 45A | 0.5 | 0.743243 |
53 | AN2 | 0.493333 | 0.733333 |
54 | GJV | 0.493151 | 0.743243 |
55 | S4M | 0.493151 | 0.717949 |
56 | PAP | 0.487179 | 0.753425 |
57 | AU1 | 0.486842 | 0.723684 |
58 | A12 | 0.486486 | 0.736842 |
59 | AP2 | 0.486486 | 0.736842 |
60 | MAO | 0.486486 | 0.708861 |
61 | BA3 | 0.486486 | 0.743243 |
62 | NEC | 0.486111 | 0.791045 |
63 | 5F1 | 0.484848 | 0.80303 |
64 | VRT | 0.481013 | 0.788732 |
65 | SO8 | 0.481013 | 0.811594 |
66 | ATP | 0.480519 | 0.743243 |
67 | SFG | 0.480519 | 0.794118 |
68 | HEJ | 0.480519 | 0.743243 |
69 | AP5 | 0.48 | 0.743243 |
70 | 5AS | 0.48 | 0.651163 |
71 | B4P | 0.48 | 0.743243 |
72 | APC | 0.474359 | 0.736842 |
73 | 5FA | 0.474359 | 0.743243 |
74 | AQP | 0.474359 | 0.743243 |
75 | AT4 | 0.473684 | 0.714286 |
76 | ADP MG | 0.473684 | 0.763889 |
77 | ADP BEF | 0.473684 | 0.763889 |
78 | SON | 0.473684 | 0.736842 |
79 | A7D | 0.473684 | 0.850746 |
80 | 101 | 0.472222 | 0.802817 |
81 | NWQ | 0.471429 | 0.757576 |
82 | PPS | 0.469136 | 0.670732 |
83 | NOC | 0.46875 | 0.784615 |
84 | SA8 | 0.468354 | 0.743243 |
85 | NVA 2AD | 0.468354 | 0.777778 |
86 | ATR | 0.468354 | 0.739726 |
87 | AGS | 0.468354 | 0.705128 |
88 | M33 | 0.467532 | 0.733333 |
89 | MHZ | 0.467532 | 0.708861 |
90 | CA0 | 0.467532 | 0.723684 |
91 | ADX | 0.467532 | 0.670732 |
92 | N5O | 0.465753 | 0.808824 |
93 | SAI | 0.4625 | 0.774648 |
94 | SAH | 0.4625 | 0.785714 |
95 | CUU | 0.461538 | 0.743243 |
96 | H1Q | 0.461538 | 0.753425 |
97 | 50T | 0.461538 | 0.733333 |
98 | KG4 | 0.461538 | 0.723684 |
99 | ACP | 0.461538 | 0.723684 |
100 | SP1 | 0.458333 | 0.72 |
101 | RP1 | 0.458333 | 0.72 |
102 | T99 | 0.45679 | 0.714286 |
103 | SAM | 0.45679 | 0.723684 |
104 | TAT | 0.45679 | 0.714286 |
105 | ACQ | 0.45679 | 0.723684 |
106 | ANP | 0.45679 | 0.723684 |
107 | V3L | 0.45679 | 0.743243 |
108 | AR6 | 0.455696 | 0.743243 |
109 | APR | 0.455696 | 0.743243 |
110 | PRX | 0.455696 | 0.723684 |
111 | N5A | 0.453333 | 0.779412 |
112 | KF5 | 0.453125 | 0.703125 |
113 | 5AL | 0.451219 | 0.733333 |
114 | EEM | 0.451219 | 0.723684 |
115 | ADP PO3 | 0.45 | 0.763889 |
116 | ADV | 0.45 | 0.736842 |
117 | APC MG | 0.45 | 0.767123 |
118 | RBY | 0.45 | 0.736842 |
119 | ATP MG | 0.45 | 0.763889 |
120 | A5D | 0.45 | 0.808824 |
121 | AD9 | 0.45 | 0.723684 |
122 | ARJ | 0.447761 | 0.796875 |
123 | AFX | 0.447761 | 0.73913 |
124 | D3Y | 0.447059 | 0.811594 |
125 | DA | 0.445946 | 0.753425 |
126 | D5M | 0.445946 | 0.753425 |
127 | ALF ADP | 0.445783 | 0.705128 |
128 | AV2 | 0.445783 | 0.697368 |
129 | A5A | 0.445783 | 0.654762 |
130 | G5A | 0.444444 | 0.651163 |
131 | BEF ADP | 0.444444 | 0.743243 |
132 | V47 | 0.440476 | 0.779412 |
133 | SSA | 0.440476 | 0.651163 |
134 | SRP | 0.440476 | 0.736842 |
135 | 6YZ | 0.440476 | 0.723684 |
136 | SMM | 0.440476 | 0.696203 |
137 | S7M | 0.440476 | 0.723684 |
138 | 3AT | 0.439024 | 0.743243 |
139 | GAP | 0.439024 | 0.746667 |
140 | J4G | 0.438202 | 0.705128 |
141 | HQG | 0.435294 | 0.733333 |
142 | VMS | 0.435294 | 0.639535 |
143 | 54H | 0.435294 | 0.639535 |
144 | A2R | 0.435294 | 0.733333 |
145 | 8LE | 0.433735 | 0.705128 |
146 | AAT | 0.433735 | 0.767123 |
147 | V2G | 0.433735 | 0.708861 |
148 | A22 | 0.430233 | 0.733333 |
149 | GGZ | 0.430233 | 0.646341 |
150 | MAP | 0.430233 | 0.705128 |
151 | 53H | 0.430233 | 0.632184 |
152 | TSB | 0.430233 | 0.647059 |
153 | 5CA | 0.430233 | 0.651163 |
154 | DAL AMP | 0.430233 | 0.733333 |
155 | QA7 | 0.430233 | 0.705128 |
156 | 2BA | 0.428571 | 0.760563 |
157 | ATF | 0.428571 | 0.714286 |
158 | CMP | 0.428571 | 0.771429 |
159 | ANP MG | 0.428571 | 0.733333 |
160 | VO4 ADP | 0.428571 | 0.723684 |
161 | K15 | 0.426966 | 0.714286 |
162 | 5SV | 0.425287 | 0.708861 |
163 | 8QN | 0.425287 | 0.733333 |
164 | S8M | 0.425287 | 0.753425 |
165 | GEK | 0.425287 | 0.753425 |
166 | 25A | 0.425287 | 0.743243 |
167 | DAT | 0.425 | 0.733333 |
168 | 8LH | 0.423529 | 0.736842 |
169 | 3NZ | 0.422222 | 0.777778 |
170 | NX8 | 0.421687 | 0.753425 |
171 | AS | 0.421053 | 0.714286 |
172 | DSZ | 0.420455 | 0.632184 |
173 | AMO | 0.420455 | 0.714286 |
174 | 0UM | 0.420455 | 0.756757 |
175 | A1R | 0.420455 | 0.74026 |
176 | LSS | 0.420455 | 0.617977 |
177 | ADQ | 0.420455 | 0.746667 |
178 | 0XU | 0.419753 | 0.742857 |
179 | 103 | 0.418919 | 0.712329 |
180 | 52H | 0.418605 | 0.632184 |
181 | 62X | 0.41573 | 0.696203 |
182 | AHX | 0.41573 | 0.708861 |
183 | LQJ | 0.414894 | 0.767123 |
184 | KY2 | 0.413793 | 0.746667 |
185 | 8X1 | 0.413793 | 0.666667 |
186 | 8LQ | 0.413793 | 0.714286 |
187 | ADP BMA | 0.411111 | 0.746667 |
188 | NA7 | 0.411111 | 0.736842 |
189 | OZV | 0.409091 | 0.743243 |
190 | 9ZD | 0.409091 | 0.696203 |
191 | QXP | 0.409091 | 0.654762 |
192 | OOB | 0.409091 | 0.733333 |
193 | 9ZA | 0.409091 | 0.696203 |
194 | GSU | 0.406593 | 0.632184 |
195 | KAA | 0.406593 | 0.647727 |
196 | LAD | 0.406593 | 0.721519 |
197 | B5V | 0.406593 | 0.714286 |
198 | R2V | 0.406593 | 0.654762 |
199 | 2FA | 0.405797 | 0.811594 |
200 | AF2 AF2 AF2 AF2 AF2 AF2 | 0.405063 | 0.712329 |
201 | DTP | 0.404762 | 0.733333 |
202 | NSS | 0.404494 | 0.632184 |
203 | 4AD | 0.404494 | 0.705128 |
204 | PAJ | 0.404494 | 0.7 |
205 | A3R | 0.404494 | 0.74026 |
206 | KYB | 0.404494 | 0.746667 |
207 | K3K | 0.404255 | 0.8 |
208 | NWZ | 0.402439 | 0.739726 |
209 | PTJ | 0.402174 | 0.6875 |
210 | FYA | 0.402174 | 0.733333 |
211 | ME8 | 0.402174 | 0.662651 |
212 | 1ZZ | 0.402174 | 0.682927 |
213 | NB8 | 0.402174 | 0.6875 |
214 | NVA LMS | 0.4 | 0.611111 |
215 | DLL | 0.4 | 0.733333 |
216 | 00A | 0.4 | 0.696203 |
217 | JNT | 0.4 | 0.746667 |
218 | K2H | 0.4 | 0.75 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GNG | 0.9560 |
2 | MDR | 0.9533 |
3 | CL9 | 0.9532 |
4 | NOS | 0.9525 |
5 | 5FD | 0.9517 |
6 | 9DI | 0.9509 |
7 | FMC | 0.9499 |
8 | FMB | 0.9496 |
9 | HPR | 0.9440 |
10 | PRH | 0.9440 |
11 | TBN | 0.9437 |
12 | AD3 | 0.9401 |
13 | 1DA | 0.9394 |
14 | GMP | 0.9386 |
15 | TMC | 0.9385 |
16 | 3BH | 0.9340 |
17 | THM | 0.9335 |
18 | IMH | 0.9331 |
19 | DUR | 0.9322 |
20 | DCF | 0.9321 |
21 | UA2 | 0.9316 |
22 | 0DN | 0.9305 |
23 | MTP | 0.9297 |
24 | B86 | 0.9295 |
25 | 5ID | 0.9295 |
26 | 4UO | 0.9294 |
27 | MCY | 0.9288 |
28 | 6MD | 0.9273 |
29 | EKH | 0.9273 |
30 | DCZ | 0.9258 |
31 | DBS | 0.9251 |
32 | CFE | 0.9239 |
33 | H7S | 0.9228 |
34 | FTU | 0.9224 |
35 | IMG | 0.9221 |
36 | 5UD | 0.9218 |
37 | CTE | 0.9206 |
38 | 8HG | 0.9199 |
39 | 8OX | 0.9195 |
40 | TRP | 0.9194 |
41 | PUR | 0.9190 |
42 | F01 | 0.9187 |
43 | AHU | 0.9182 |
44 | LTN | 0.9174 |
45 | 3DT | 0.9168 |
46 | 5BT | 0.9161 |
47 | 26A | 0.9150 |
48 | DBM | 0.9150 |
49 | SCT | 0.9143 |
50 | 5I5 | 0.9126 |
51 | CDY | 0.9114 |
52 | RVD | 0.9111 |
53 | 4OG | 0.9092 |
54 | FM2 | 0.9091 |
55 | RPP | 0.9091 |
56 | URI | 0.9085 |
57 | 5MD | 0.9081 |
58 | ZIQ | 0.9072 |
59 | EXX | 0.9072 |
60 | MG7 | 0.9069 |
61 | DDU | 0.9058 |
62 | THU | 0.9057 |
63 | 5NB | 0.9040 |
64 | 13A | 0.9040 |
65 | 6ZW | 0.9025 |
66 | EXL | 0.9014 |
67 | CTN | 0.9002 |
68 | HBI | 0.8993 |
69 | H2B | 0.8993 |
70 | 4AB | 0.8988 |
71 | 9UL | 0.8987 |
72 | H4B | 0.8986 |
73 | XIF XYP | 0.8971 |
74 | XYP XIF | 0.8971 |
75 | MPU | 0.8971 |
76 | LLT | 0.8971 |
77 | 7CI | 0.8969 |
78 | DTE | 0.8967 |
79 | RFZ | 0.8961 |
80 | MTH | 0.8958 |
81 | ID2 | 0.8952 |
82 | MCF | 0.8941 |
83 | XTS | 0.8926 |
84 | SGP | 0.8919 |
85 | ZYV | 0.8904 |
86 | 5JT | 0.8903 |
87 | MZR | 0.8898 |
88 | PE2 | 0.8897 |
89 | 8DA | 0.8896 |
90 | AOJ | 0.8889 |
91 | ITW | 0.8888 |
92 | ARP | 0.8887 |
93 | 0GA | 0.8879 |
94 | DTR | 0.8878 |
95 | XYP AHR | 0.8870 |
96 | AR3 | 0.8865 |
97 | BIO | 0.8858 |
98 | XYS XYP | 0.8857 |
99 | ACE TRP | 0.8855 |
100 | TYU | 0.8849 |
101 | 4GU | 0.8839 |
102 | ZYW | 0.8839 |
103 | KYN | 0.8834 |
104 | MTM | 0.8827 |
105 | 78U | 0.8826 |
106 | 3RP | 0.8823 |
107 | JY4 | 0.8819 |
108 | TO1 | 0.8813 |
109 | 92O | 0.8813 |
110 | CTD | 0.8812 |
111 | LDC | 0.8807 |
112 | EAT | 0.8805 |
113 | B5A | 0.8802 |
114 | HO4 | 0.8800 |
115 | 5AE | 0.8797 |
116 | UUA | 0.8795 |
117 | AC2 | 0.8794 |
118 | CNI | 0.8787 |
119 | NEO | 0.8784 |
120 | W29 | 0.8779 |
121 | XYP XDN | 0.8779 |
122 | SG2 | 0.8778 |
123 | XYP XYP | 0.8776 |
124 | XDN XYP | 0.8775 |
125 | ZSP | 0.8775 |
126 | TIA | 0.8773 |
127 | 7AP | 0.8772 |
128 | 5V7 | 0.8768 |
129 | IOS | 0.8762 |
130 | BHS | 0.8761 |
131 | 5GV | 0.8759 |
132 | XIL | 0.8759 |
133 | MR6 | 0.8759 |
134 | XDL XYP | 0.8759 |
135 | NEU | 0.8753 |
136 | N2M | 0.8752 |
137 | 2TU | 0.8750 |
138 | 0J4 | 0.8743 |
139 | M5H | 0.8740 |
140 | ZEB | 0.8734 |
141 | ETV | 0.8732 |
142 | URD | 0.8728 |
143 | APS | 0.8726 |
144 | NPS | 0.8725 |
145 | BVD | 0.8723 |
146 | SKF | 0.8712 |
147 | GL6 | 0.8711 |
148 | MBY | 0.8710 |
149 | A4G | 0.8709 |
150 | 6J3 | 0.8708 |
151 | 6J9 | 0.8701 |
152 | WS6 | 0.8699 |
153 | DNQ | 0.8698 |
154 | X11 | 0.8698 |
155 | 4Z9 | 0.8697 |
156 | OCZ | 0.8691 |
157 | GA2 | 0.8688 |
158 | DAH | 0.8686 |
159 | YOF | 0.8685 |
160 | 14Z | 0.8677 |
161 | DBQ | 0.8676 |
162 | JMQ | 0.8671 |
163 | ALN | 0.8670 |
164 | PF1 | 0.8669 |
165 | N1E | 0.8666 |
166 | 2QV | 0.8664 |
167 | 2K8 | 0.8654 |
168 | FYR | 0.8648 |
169 | X2M | 0.8642 |
170 | X04 | 0.8640 |
171 | 0J2 | 0.8637 |
172 | 2GD | 0.8634 |
173 | BP7 | 0.8633 |
174 | 3Y7 | 0.8627 |
175 | 1ZC | 0.8625 |
176 | GEO | 0.8624 |
177 | 2QU | 0.8621 |
178 | 4I5 | 0.8615 |
179 | EXD | 0.8615 |
180 | KP2 | 0.8614 |
181 | HRM | 0.8612 |
182 | QMS | 0.8612 |
183 | 092 | 0.8609 |
184 | 22L | 0.8604 |
185 | WOE | 0.8603 |
186 | 78P | 0.8603 |
187 | T1N | 0.8601 |
188 | PLP | 0.8601 |
189 | TLF | 0.8596 |
190 | 2O6 | 0.8594 |
191 | PMP | 0.8589 |
192 | ZEC | 0.8589 |
193 | ID8 | 0.8588 |
194 | X48 | 0.8586 |
195 | XYS XYS | 0.8577 |
196 | YF3 | 0.8568 |
197 | BQ2 | 0.8563 |
198 | 159 | 0.8550 |
199 | 4OZ | 0.8546 |
200 | 1Q4 | 0.8545 |
201 | SGV | 0.8544 |
202 | IYR | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 5tk8.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5tk8.bio1) has 18 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |