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- PDB : .ZIP | .CSV
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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 26 families. | |||||
1 | 3PDN | - | SFG | C15 H23 N7 O5 | c1nc(c2c(n.... |
2 | 6P7Z | - | O41 | C13 H19 N3 O4 S | CS(=O)(=O).... |
3 | 5CCM | ic50 = 4 nM | 4ZX | C28 H34 Cl N5 O4 S | c1ccc(cc1).... |
4 | 5CCL | - | 4ZW | C14 H17 N3 O2 | c1cc2c(cc1.... |
5 | 5EX3 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
6 | 3RU0 | - | SFG | C15 H23 N7 O5 | c1nc(c2c(n.... |
7 | 5HI7 | Ki = 14 nM | 62X | C19 H32 N8 O5 | CN(C)CCCN(.... |
8 | 6P6G | Ki = 6 nM | LUP | C23 H35 F3 N4 O4 S | c1c(onc1C(.... |
9 | 6P6K | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
10 | 6PAF | - | O6A | C19 H24 N4 O4 S | c1cc(ccc1C.... |
11 | 6IJL | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 3PDN | - | SFG | C15 H23 N7 O5 | c1nc(c2c(n.... |
2 | 6P7Z | - | O41 | C13 H19 N3 O4 S | CS(=O)(=O).... |
3 | 5CCM | ic50 = 4 nM | 4ZX | C28 H34 Cl N5 O4 S | c1ccc(cc1).... |
4 | 5CCL | - | 4ZW | C14 H17 N3 O2 | c1cc2c(cc1.... |
5 | 5EX3 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
6 | 3RU0 | - | SFG | C15 H23 N7 O5 | c1nc(c2c(n.... |
7 | 5HI7 | Ki = 14 nM | 62X | C19 H32 N8 O5 | CN(C)CCCN(.... |
8 | 6P6G | Ki = 6 nM | LUP | C23 H35 F3 N4 O4 S | c1c(onc1C(.... |
9 | 6P6K | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
10 | 6PAF | - | O6A | C19 H24 N4 O4 S | c1cc(ccc1C.... |
11 | 6IJL | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
12 | 3QWV | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
13 | 3QWW | - | SFG | C15 H23 N7 O5 | c1nc(c2c(n.... |
14 | 4WUY | ic50 < 15 nM | 3UJ | C36 H42 N6 O | Cc1cn(c2c1.... |
15 | 5ARF | Kd = 540 nM | I9H | C22 H21 Cl F2 N6 O3 | CCN([C@H]1.... |
16 | 5KJM | ic50 = 0.065 uM | 6TM | C32 H37 Cl2 N7 O | c1ccc(c(c1.... |
17 | 3TG4 | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
18 | 5ARG | ic50 = 27 nM | H41 | C22 H20 Cl2 F2 N6 O3 | CCN([C@H]1.... |
19 | 5KJK | ic50 = 0.012 uM | 6T1 | C30 H34 Cl2 N4 O2 | c1ccc(c(c1.... |
20 | 3S7B | Kd = 0.5 uM | NH5 | C29 H38 Cl2 N4 O4 | c1cc(c(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 62X | 1 | 1 |
2 | K15 | 0.808989 | 0.947368 |
3 | KYE | 0.757895 | 0.839506 |
4 | KXW | 0.71 | 0.883117 |
5 | SA8 | 0.704545 | 0.933333 |
6 | OZP | 0.696078 | 0.883117 |
7 | KH3 | 0.693069 | 0.935065 |
8 | HY8 | 0.68932 | 0.860759 |
9 | KB1 | 0.673469 | 0.825 |
10 | HZ2 | 0.669903 | 0.860759 |
11 | EP4 | 0.60241 | 0.866667 |
12 | F0P | 0.6 | 0.883117 |
13 | Q34 | 0.585586 | 0.817073 |
14 | Q2M | 0.585586 | 0.8375 |
15 | SFG | 0.574468 | 0.84 |
16 | SAH | 0.572917 | 0.855263 |
17 | Q2V | 0.570175 | 0.871795 |
18 | S7M | 0.565657 | 0.860759 |
19 | EEM | 0.561224 | 0.884615 |
20 | KYB | 0.558824 | 0.814815 |
21 | 5X8 | 0.557895 | 0.828947 |
22 | SAI | 0.556701 | 0.844156 |
23 | Q2P | 0.555556 | 0.817073 |
24 | KY2 | 0.554455 | 0.814815 |
25 | MHZ | 0.547368 | 0.8875 |
26 | SAM | 0.535354 | 0.884615 |
27 | SMM | 0.534653 | 0.898734 |
28 | KY5 | 0.53271 | 0.857143 |
29 | MAO | 0.531915 | 0.819277 |
30 | 0UM | 0.528846 | 0.896104 |
31 | KY8 | 0.528302 | 0.835443 |
32 | XYA | 0.511905 | 0.74359 |
33 | ADN | 0.511905 | 0.74359 |
34 | RAB | 0.511905 | 0.74359 |
35 | 5CD | 0.511628 | 0.753247 |
36 | 5N5 | 0.5 | 0.766234 |
37 | SXZ | 0.495413 | 0.909091 |
38 | A4D | 0.494253 | 0.74359 |
39 | GJV | 0.489583 | 0.768293 |
40 | S4M | 0.489583 | 0.898734 |
41 | 6RE | 0.489362 | 0.756098 |
42 | 3DH | 0.48913 | 0.792208 |
43 | M2T | 0.488889 | 0.820513 |
44 | DTA | 0.488889 | 0.7375 |
45 | LAD | 0.486239 | 0.767442 |
46 | MTA | 0.483516 | 0.815789 |
47 | SSA | 0.47619 | 0.628866 |
48 | AMP MG | 0.473684 | 0.690476 |
49 | KAA | 0.472727 | 0.677083 |
50 | 5AL | 0.471154 | 0.717647 |
51 | CA0 | 0.47 | 0.689655 |
52 | DSH | 0.46875 | 0.857143 |
53 | ME8 | 0.468468 | 0.790698 |
54 | A5A | 0.466667 | 0.631579 |
55 | KG4 | 0.465347 | 0.689655 |
56 | 45A | 0.463918 | 0.72619 |
57 | J7C | 0.463918 | 0.765432 |
58 | ABM | 0.463918 | 0.72619 |
59 | LMS | 0.463158 | 0.610526 |
60 | AMP | 0.463158 | 0.682353 |
61 | ZAS | 0.463158 | 0.740741 |
62 | A | 0.463158 | 0.682353 |
63 | GEK | 0.462963 | 0.822785 |
64 | SRP | 0.462264 | 0.72093 |
65 | EU9 | 0.462185 | 0.722222 |
66 | NWW | 0.460674 | 0.710526 |
67 | SON | 0.46 | 0.72093 |
68 | A7D | 0.46 | 0.794872 |
69 | GSU | 0.459459 | 0.663158 |
70 | DSZ | 0.458716 | 0.645833 |
71 | LSS | 0.458716 | 0.684211 |
72 | AMO | 0.458716 | 0.72093 |
73 | N37 | 0.458333 | 0.797468 |
74 | 54H | 0.457944 | 0.652632 |
75 | VMS | 0.457944 | 0.652632 |
76 | TXA | 0.455357 | 0.701149 |
77 | YLC | 0.454545 | 0.770115 |
78 | BA3 | 0.454545 | 0.666667 |
79 | YLP | 0.453782 | 0.793103 |
80 | U4Y | 0.453782 | 0.822785 |
81 | 5CA | 0.453704 | 0.628866 |
82 | TSB | 0.453704 | 0.625 |
83 | 53H | 0.453704 | 0.645833 |
84 | NEC | 0.453608 | 0.74359 |
85 | XAH | 0.452174 | 0.730337 |
86 | HEJ | 0.45098 | 0.666667 |
87 | ATP | 0.45098 | 0.666667 |
88 | AP5 | 0.45 | 0.666667 |
89 | 5AS | 0.45 | 0.628866 |
90 | B4P | 0.45 | 0.666667 |
91 | 8QN | 0.449541 | 0.717647 |
92 | A2D | 0.44898 | 0.666667 |
93 | V47 | 0.448598 | 0.779221 |
94 | 8LH | 0.448598 | 0.72093 |
95 | F2R | 0.448 | 0.714286 |
96 | AQP | 0.446602 | 0.666667 |
97 | 5FA | 0.446602 | 0.666667 |
98 | WAQ | 0.446429 | 0.764706 |
99 | A3S | 0.445545 | 0.782051 |
100 | AN2 | 0.445545 | 0.659091 |
101 | 52H | 0.444444 | 0.645833 |
102 | FA5 | 0.443478 | 0.72093 |
103 | V2G | 0.443396 | 0.715909 |
104 | 8LE | 0.443396 | 0.732558 |
105 | SRA | 0.443299 | 0.651685 |
106 | YLB | 0.442623 | 0.793103 |
107 | K2H | 0.441441 | 0.797468 |
108 | NVA LMS | 0.441441 | 0.659794 |
109 | AHX | 0.441441 | 0.677778 |
110 | M33 | 0.441176 | 0.697674 |
111 | ADX | 0.441176 | 0.610526 |
112 | AU1 | 0.441176 | 0.651685 |
113 | 7MD | 0.440678 | 0.75 |
114 | 8LQ | 0.440367 | 0.741176 |
115 | DAL AMP | 0.440367 | 0.717647 |
116 | QA7 | 0.440367 | 0.752941 |
117 | AP2 | 0.44 | 0.681818 |
118 | A12 | 0.44 | 0.681818 |
119 | K3H | 0.439655 | 0.768293 |
120 | AOC | 0.438776 | 0.746835 |
121 | G5A | 0.438095 | 0.645833 |
122 | ACP | 0.436893 | 0.670455 |
123 | 50T | 0.436893 | 0.659091 |
124 | A3T | 0.436893 | 0.769231 |
125 | 5AD | 0.436782 | 0.72 |
126 | 9ZA | 0.436364 | 0.724138 |
127 | 9ZD | 0.436364 | 0.724138 |
128 | QXP | 0.436364 | 0.631579 |
129 | ADP | 0.435644 | 0.666667 |
130 | A3N | 0.434343 | 0.759494 |
131 | GAP | 0.433962 | 0.709302 |
132 | Y3J | 0.433333 | 0.679487 |
133 | 0XU | 0.432692 | 0.792208 |
134 | PRX | 0.432692 | 0.729412 |
135 | PAJ | 0.432432 | 0.727273 |
136 | ADP BEF | 0.431373 | 0.682353 |
137 | AT4 | 0.431373 | 0.644444 |
138 | ADP MG | 0.431373 | 0.682353 |
139 | NB8 | 0.429825 | 0.696629 |
140 | PTJ | 0.429825 | 0.735632 |
141 | AYB | 0.428571 | 0.784091 |
142 | AGS | 0.428571 | 0.637363 |
143 | NWQ | 0.427083 | 0.736842 |
144 | QXG | 0.424779 | 0.625 |
145 | LEU LMS | 0.424779 | 0.709677 |
146 | VRT | 0.424528 | 0.810127 |
147 | BEF ADP | 0.424528 | 0.666667 |
148 | A3G | 0.424242 | 0.794872 |
149 | N5O | 0.424242 | 0.782051 |
150 | 5SV | 0.423423 | 0.776471 |
151 | S8M | 0.423423 | 0.777778 |
152 | 3AM | 0.42268 | 0.651163 |
153 | YLA | 0.420635 | 0.752809 |
154 | T99 | 0.420561 | 0.644444 |
155 | TAT | 0.420561 | 0.644444 |
156 | NSS | 0.419643 | 0.628866 |
157 | 4AD | 0.419643 | 0.712644 |
158 | APR | 0.419048 | 0.686047 |
159 | AR6 | 0.419048 | 0.686047 |
160 | APC | 0.419048 | 0.681818 |
161 | TT8 | 0.418182 | 0.881579 |
162 | JB6 | 0.417391 | 0.685393 |
163 | 1ZZ | 0.417391 | 0.790698 |
164 | AAT | 0.416667 | 0.8125 |
165 | ARG AMP | 0.416667 | 0.722222 |
166 | 00A | 0.415929 | 0.666667 |
167 | N5A | 0.415842 | 0.779221 |
168 | 7D7 | 0.41573 | 0.696203 |
169 | YSA | 0.415254 | 0.628866 |
170 | ATP MG | 0.415094 | 0.682353 |
171 | RBY | 0.415094 | 0.701149 |
172 | A5D | 0.415094 | 0.7375 |
173 | AD9 | 0.415094 | 0.651685 |
174 | ADV | 0.415094 | 0.701149 |
175 | ADP PO3 | 0.415094 | 0.682353 |
176 | APC MG | 0.415094 | 0.686047 |
177 | 8X1 | 0.414414 | 0.642857 |
178 | MYR AMP | 0.413793 | 0.790698 |
179 | OAD | 0.412281 | 0.709302 |
180 | 3UK | 0.412281 | 0.689655 |
181 | SO8 | 0.411215 | 0.78481 |
182 | OOB | 0.410714 | 0.697674 |
183 | 2VA | 0.409524 | 0.794872 |
184 | H1Q | 0.409524 | 0.674419 |
185 | 6YZ | 0.409091 | 0.670455 |
186 | B5V | 0.408696 | 0.681818 |
187 | R2V | 0.408696 | 0.631579 |
188 | J4G | 0.408696 | 0.732558 |
189 | 7MC | 0.408 | 0.772727 |
190 | ANP | 0.407407 | 0.651685 |
191 | ACQ | 0.407407 | 0.670455 |
192 | 8PZ | 0.40678 | 0.628866 |
193 | B5Y | 0.40678 | 0.693182 |
194 | 48N | 0.406504 | 0.715909 |
195 | YLY | 0.406015 | 0.825581 |
196 | HQG | 0.405405 | 0.678161 |
197 | 3OD | 0.405172 | 0.709302 |
198 | 9K8 | 0.405172 | 0.61 |
199 | DLL | 0.403509 | 0.697674 |
200 | NVA 2AD | 0.401869 | 0.8 |
201 | A22 | 0.401786 | 0.659091 |
202 | D3Y | 0.401786 | 0.7625 |
203 | IOT | 0.401575 | 0.744444 |
204 | ANP MG | 0.4 | 0.659091 |
205 | VO4 ADP | 0.4 | 0.651685 |
206 | ATF | 0.4 | 0.644444 |
207 | ALF ADP | 0.4 | 0.637363 |
208 | OMR | 0.4 | 0.781609 |
209 | 9X8 | 0.4 | 0.674157 |
210 | TYM | 0.4 | 0.72093 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5ccm.bio1) has 46 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ccm.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |