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- 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 6 families. | |||||
1 | 2HL0 | - | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
2 | 2HKZ | - | SER | C3 H7 N O3 | C([C@@H](C.... |
3 | 4RRQ | - | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
4 | 4RRR | - | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
5 | 3PD2 | Kd = 3.4 uM | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
6 | 3PD4 | Kd = 33.3 uM | A3G | C12 H17 N7 O4 | c1nc(c2c(n.... |
7 | 2HL1 | - | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
8 | 3PD3 | Kd = 36.2 uM | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
9 | 3PD5 | - | TSB | C14 H21 N7 O8 S | C[C@H]([C@.... |
10 | 4RRF | Kd = 239.2 uM | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
11 | 4RRG | Kd = 1538.5 uM | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 4RRK | - | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
2 | 4RR7 | Kd = 1 uM | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
3 | 4RRH | - | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
4 | 4RR8 | Kd = 1 uM | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
5 | 4RRD | Kd = 13.4 uM | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
6 | 4RRC | Kd = 13.4 uM | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
7 | 4RRL | - | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
8 | 4RR9 | Kd = 1 uM | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
9 | 4RR6 | Kd = 1 uM | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
10 | 4RRA | Kd = 13.4 uM | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
11 | 4RRB | Kd = 13.4 uM | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
12 | 4RRI | - | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
13 | 4RRJ | - | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
14 | 4RRM | - | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
15 | 2HL0 | - | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
16 | 2HKZ | - | SER | C3 H7 N O3 | C([C@@H](C.... |
17 | 4RRQ | - | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
18 | 4RRR | - | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
19 | 3PD2 | Kd = 3.4 uM | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
20 | 3PD4 | Kd = 33.3 uM | A3G | C12 H17 N7 O4 | c1nc(c2c(n.... |
21 | 2HL1 | - | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
22 | 3PD3 | Kd = 36.2 uM | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
23 | 3PD5 | - | TSB | C14 H21 N7 O8 S | C[C@H]([C@.... |
24 | 4RRF | Kd = 239.2 uM | A3S | C13 H19 N7 O5 | c1nc(c2c(n.... |
25 | 4RRG | Kd = 1538.5 uM | A3T | C14 H21 N7 O5 | C[C@H]([C@.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | A3G | 1 | 1 |
2 | A3S | 0.716216 | 0.984615 |
3 | A3T | 0.697368 | 0.939394 |
4 | D3Y | 0.623529 | 0.955224 |
5 | 3NZ | 0.588889 | 0.914286 |
6 | RAB | 0.588235 | 0.938462 |
7 | XYA | 0.588235 | 0.938462 |
8 | ADN | 0.588235 | 0.938462 |
9 | 5N5 | 0.571429 | 0.938462 |
10 | NWW | 0.56338 | 0.846154 |
11 | 5CD | 0.56338 | 0.865672 |
12 | G5A | 0.552941 | 0.761905 |
13 | 6RE | 0.551282 | 0.861111 |
14 | A4D | 0.541667 | 0.909091 |
15 | A | 0.538462 | 0.797297 |
16 | AMP | 0.538462 | 0.797297 |
17 | J4G | 0.537634 | 0.805195 |
18 | J7C | 0.5375 | 0.873239 |
19 | M2T | 0.533333 | 0.783784 |
20 | DTA | 0.533333 | 0.816901 |
21 | N5A | 0.530864 | 0.924242 |
22 | 7D7 | 0.528571 | 0.823529 |
23 | 3AM | 0.525641 | 0.783784 |
24 | NEC | 0.525 | 0.880597 |
25 | N5O | 0.525 | 0.954545 |
26 | EP4 | 0.52 | 0.830986 |
27 | 2VA | 0.517647 | 0.911765 |
28 | 5AD | 0.514286 | 0.80303 |
29 | 3DH | 0.512821 | 0.828571 |
30 | NWQ | 0.512821 | 0.820895 |
31 | SRA | 0.5125 | 0.75641 |
32 | AMP MG | 0.5125 | 0.808219 |
33 | GJV | 0.512195 | 0.849315 |
34 | MTA | 0.506494 | 0.828571 |
35 | A3P | 0.506024 | 0.773333 |
36 | CA0 | 0.505882 | 0.802632 |
37 | NVA 2AD | 0.505747 | 0.914286 |
38 | 7D5 | 0.5 | 0.74026 |
39 | 45A | 0.5 | 0.776316 |
40 | ADP | 0.5 | 0.8 |
41 | VRT | 0.5 | 0.927536 |
42 | A2D | 0.5 | 0.8 |
43 | ABM | 0.5 | 0.776316 |
44 | SO8 | 0.5 | 0.898551 |
45 | LMS | 0.5 | 0.702381 |
46 | KG4 | 0.5 | 0.802632 |
47 | ZAS | 0.5 | 0.84507 |
48 | 5X8 | 0.5 | 0.897059 |
49 | SON | 0.494118 | 0.792208 |
50 | S4M | 0.493976 | 0.794872 |
51 | OVE | 0.493827 | 0.766234 |
52 | 2AM | 0.493671 | 0.797297 |
53 | HQG | 0.48913 | 0.789474 |
54 | V2G | 0.488889 | 0.807692 |
55 | AU1 | 0.488372 | 0.779221 |
56 | A12 | 0.488095 | 0.792208 |
57 | AP2 | 0.488095 | 0.792208 |
58 | BA3 | 0.488095 | 0.8 |
59 | DSH | 0.487805 | 0.873239 |
60 | Y3J | 0.486486 | 0.779412 |
61 | ACP | 0.482759 | 0.802632 |
62 | HEJ | 0.482759 | 0.8 |
63 | ATP | 0.482759 | 0.8 |
64 | SFG | 0.482759 | 0.882353 |
65 | B4P | 0.482353 | 0.8 |
66 | 5AS | 0.482353 | 0.701149 |
67 | AP5 | 0.482353 | 0.8 |
68 | A3N | 0.481928 | 0.897059 |
69 | 3AD | 0.48 | 0.923077 |
70 | ACQ | 0.477778 | 0.802632 |
71 | GAP | 0.477778 | 0.826667 |
72 | APC | 0.477273 | 0.792208 |
73 | 5FA | 0.477273 | 0.8 |
74 | AQP | 0.477273 | 0.8 |
75 | ADP MG | 0.476744 | 0.797297 |
76 | AN2 | 0.476744 | 0.789474 |
77 | ADP BEF | 0.476744 | 0.797297 |
78 | AT4 | 0.476744 | 0.769231 |
79 | PAJ | 0.473684 | 0.775 |
80 | EEM | 0.472527 | 0.802632 |
81 | 5AL | 0.472527 | 0.789474 |
82 | 8LE | 0.472527 | 0.759494 |
83 | PAP | 0.47191 | 0.786667 |
84 | AGS | 0.47191 | 0.759494 |
85 | SA8 | 0.47191 | 0.849315 |
86 | MHZ | 0.471264 | 0.78481 |
87 | ADX | 0.471264 | 0.722892 |
88 | M33 | 0.471264 | 0.789474 |
89 | A2P | 0.470588 | 0.76 |
90 | AOC | 0.46988 | 0.855072 |
91 | QQX | 0.469136 | 0.717949 |
92 | AHX | 0.46875 | 0.831169 |
93 | KL2 | 0.468354 | 0.746667 |
94 | QA7 | 0.468085 | 0.759494 |
95 | A5A | 0.467391 | 0.705882 |
96 | SAH | 0.466667 | 0.871429 |
97 | SAI | 0.466667 | 0.859155 |
98 | 50T | 0.465909 | 0.789474 |
99 | QQY | 0.463415 | 0.727273 |
100 | ACK | 0.463415 | 0.767123 |
101 | 9ZA | 0.463158 | 0.75 |
102 | 9ZD | 0.463158 | 0.75 |
103 | SSA | 0.462366 | 0.761905 |
104 | 8LH | 0.462366 | 0.792208 |
105 | SRP | 0.462366 | 0.84 |
106 | 6YZ | 0.462366 | 0.802632 |
107 | S7M | 0.462366 | 0.802632 |
108 | ANP | 0.461538 | 0.779221 |
109 | TAT | 0.461538 | 0.769231 |
110 | T99 | 0.461538 | 0.769231 |
111 | SAM | 0.461538 | 0.802632 |
112 | PRX | 0.460674 | 0.75641 |
113 | APR | 0.460674 | 0.8 |
114 | AR6 | 0.460674 | 0.8 |
115 | NWZ | 0.460674 | 0.873239 |
116 | 7D3 | 0.458824 | 0.74359 |
117 | KYB | 0.458333 | 0.826667 |
118 | 0UM | 0.458333 | 0.863014 |
119 | 54H | 0.457447 | 0.689655 |
120 | VMS | 0.457447 | 0.689655 |
121 | 52H | 0.457447 | 0.681818 |
122 | PPS | 0.456522 | 0.702381 |
123 | ADP PO3 | 0.455556 | 0.797297 |
124 | AD9 | 0.455556 | 0.779221 |
125 | ADV | 0.455556 | 0.792208 |
126 | RBY | 0.455556 | 0.792208 |
127 | APC MG | 0.455556 | 0.776316 |
128 | ATP MG | 0.455556 | 0.797297 |
129 | PTJ | 0.454545 | 0.740741 |
130 | TXA | 0.454545 | 0.792208 |
131 | SXZ | 0.454545 | 0.802632 |
132 | NB8 | 0.454545 | 0.807692 |
133 | DLL | 0.453608 | 0.789474 |
134 | MAO | 0.453488 | 0.78481 |
135 | 8X1 | 0.452632 | 0.735632 |
136 | GLU GMC | 0.452632 | 0.864865 |
137 | TSB | 0.452632 | 0.717647 |
138 | DAL AMP | 0.452632 | 0.789474 |
139 | 5CA | 0.452632 | 0.761905 |
140 | KY2 | 0.452632 | 0.826667 |
141 | 8LQ | 0.452632 | 0.792208 |
142 | 53H | 0.452632 | 0.681818 |
143 | ATF | 0.451613 | 0.769231 |
144 | ANP MG | 0.451613 | 0.766234 |
145 | BEF ADP | 0.450549 | 0.776316 |
146 | H1Q | 0.449438 | 0.786667 |
147 | LEU LMS | 0.44898 | 0.712644 |
148 | QXP | 0.447917 | 0.746988 |
149 | 8QN | 0.447917 | 0.789474 |
150 | OOB | 0.447917 | 0.789474 |
151 | SMM | 0.446809 | 0.772152 |
152 | V47 | 0.446809 | 0.84058 |
153 | CC5 | 0.445946 | 0.907692 |
154 | V3L | 0.445652 | 0.776316 |
155 | NX8 | 0.445652 | 0.887324 |
156 | R2V | 0.444444 | 0.746988 |
157 | 2A5 | 0.444444 | 0.779221 |
158 | PR8 | 0.444444 | 0.810127 |
159 | LAD | 0.444444 | 0.820513 |
160 | KAA | 0.444444 | 0.735632 |
161 | DSZ | 0.443299 | 0.741176 |
162 | LSS | 0.443299 | 0.704545 |
163 | AMO | 0.443299 | 0.84 |
164 | NSS | 0.443299 | 0.741176 |
165 | 4AD | 0.443299 | 0.828947 |
166 | A7D | 0.443182 | 0.884058 |
167 | 3L1 | 0.441558 | 0.910448 |
168 | 3D1 | 0.441558 | 0.910448 |
169 | AAT | 0.44086 | 0.849315 |
170 | ATR | 0.43956 | 0.773333 |
171 | A5D | 0.43956 | 0.816901 |
172 | NVA LMS | 0.438776 | 0.696629 |
173 | 00A | 0.438776 | 0.75 |
174 | 7D4 | 0.438202 | 0.74359 |
175 | A22 | 0.4375 | 0.789474 |
176 | MAP | 0.4375 | 0.759494 |
177 | XAH | 0.436893 | 0.8 |
178 | KYE | 0.436893 | 0.828947 |
179 | VO4 ADP | 0.43617 | 0.75641 |
180 | ALF ADP | 0.43617 | 0.7375 |
181 | OAD | 0.434343 | 0.802632 |
182 | ADP BMA | 0.434343 | 0.802632 |
183 | QXG | 0.434343 | 0.738095 |
184 | 3UK | 0.434343 | 0.779221 |
185 | CUU | 0.433333 | 0.8 |
186 | 25A | 0.43299 | 0.776316 |
187 | GEK | 0.43299 | 0.835616 |
188 | WAQ | 0.43 | 0.772152 |
189 | B5V | 0.43 | 0.769231 |
190 | P5A | 0.43 | 0.727273 |
191 | GSU | 0.43 | 0.72093 |
192 | HZ2 | 0.429907 | 0.902778 |
193 | A1R | 0.428571 | 0.842105 |
194 | ADQ | 0.428571 | 0.802632 |
195 | 0XU | 0.428571 | 0.855072 |
196 | SP1 | 0.428571 | 0.730769 |
197 | RP1 | 0.428571 | 0.730769 |
198 | 8PZ | 0.427184 | 0.741176 |
199 | YLP | 0.425926 | 0.780488 |
200 | ME8 | 0.425743 | 0.756098 |
201 | 3OD | 0.425743 | 0.802632 |
202 | 1ZZ | 0.425743 | 0.714286 |
203 | 9K8 | 0.425743 | 0.659341 |
204 | ARG AMP | 0.424528 | 0.790123 |
205 | 7MD | 0.424528 | 0.822785 |
206 | 62X | 0.424242 | 0.794872 |
207 | YSA | 0.423077 | 0.72093 |
208 | HY8 | 0.422018 | 0.902778 |
209 | MYR AMP | 0.421569 | 0.714286 |
210 | CMP | 0.420455 | 0.780822 |
211 | 2BA | 0.420455 | 0.77027 |
212 | K15 | 0.42 | 0.815789 |
213 | 9X8 | 0.42 | 0.759494 |
214 | OZV | 0.418367 | 0.8 |
215 | 5SV | 0.418367 | 0.719512 |
216 | 9SN | 0.417476 | 0.740741 |
217 | KY8 | 0.415842 | 0.849315 |
218 | K2K | 0.415842 | 0.887324 |
219 | 7C5 | 0.415094 | 0.8 |
220 | 3AT | 0.414894 | 0.8 |
221 | YLB | 0.414414 | 0.780488 |
222 | A3R | 0.414141 | 0.842105 |
223 | FA5 | 0.413462 | 0.815789 |
224 | B5M | 0.413462 | 0.759494 |
225 | B5Y | 0.413462 | 0.759494 |
226 | 5F1 | 0.4125 | 0.811594 |
227 | A2R | 0.412371 | 0.789474 |
228 | FYA | 0.411765 | 0.813333 |
229 | JNT | 0.41 | 0.826667 |
230 | J7V | 0.409836 | 0.712644 |
231 | B1U | 0.409524 | 0.645161 |
232 | NAX | 0.409091 | 0.7875 |
233 | KY5 | 0.407767 | 0.873239 |
234 | KB1 | 0.407767 | 0.837838 |
235 | 25L | 0.407767 | 0.789474 |
236 | KH3 | 0.407407 | 0.828947 |
237 | KXW | 0.407407 | 0.875 |
238 | 4YB | 0.407407 | 0.704545 |
239 | 101 | 0.406977 | 0.763158 |
240 | AV2 | 0.40625 | 0.730769 |
241 | NA7 | 0.405941 | 0.792208 |
242 | A6D | 0.405941 | 0.725 |
243 | 4UV | 0.40566 | 0.759494 |
244 | COD | 0.405172 | 0.77381 |
245 | AHZ | 0.40367 | 0.714286 |
246 | DCA | 0.403361 | 0.764706 |
247 | ETB | 0.403361 | 0.77381 |
248 | DA | 0.402299 | 0.763158 |
249 | D5M | 0.402299 | 0.763158 |
250 | 7MC | 0.401786 | 0.802469 |
251 | YLC | 0.401786 | 0.8 |
252 | U4Y | 0.4 | 0.835616 |
253 | ARJ | 0.4 | 0.861538 |
254 | AFX | 0.4 | 0.75 |
This union binding pocket(no: 1) in the query (biounit: 3pd2.bio1) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3pd2.bio1) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |