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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 26 families. | |||||
1 | 1MT6 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
2 | 1N6C | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 3VUZ | - | K15 | C20 H33 N7 O5 | CCCCCCN(CC.... |
4 | 3VV0 | - | KH3 | C22 H38 N8 O5 | CCCCCCNCCN.... |
5 | 3CBO | - | ILE LYS ARG SER MLZ LYS ASN SER LEU ALA | n/a | n/a |
6 | 3CBP | - | ILE LYS ARG SER LYS LYS ASN SER LEU ALA | n/a | n/a |
7 | 5EG2 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
8 | 3OS5 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
9 | 1XQH | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
10 | 1N6A | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
11 | 1O9S | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
12 | 5YLT | ic50 = 0.41 uM | C7N | C21 H21 N O | CN1CCC(=C2.... |
13 | 5AYF | Ki = 15 uM | C7H | C21 H21 N | CN1CCC(=C2.... |
14 | 3CBM | - | ILE LYS ARG SER MLZ LYS ASN SER LEU ALA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 21 families. | |||||
1 | 1MT6 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
2 | 1N6C | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 3VUZ | - | K15 | C20 H33 N7 O5 | CCCCCCN(CC.... |
4 | 3VV0 | - | KH3 | C22 H38 N8 O5 | CCCCCCNCCN.... |
5 | 3CBO | - | ILE LYS ARG SER MLZ LYS ASN SER LEU ALA | n/a | n/a |
6 | 3CBP | - | ILE LYS ARG SER LYS LYS ASN SER LEU ALA | n/a | n/a |
7 | 5EG2 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
8 | 3OS5 | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
9 | 1XQH | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
10 | 1N6A | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
11 | 1O9S | - | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
12 | 5YLT | ic50 = 0.41 uM | C7N | C21 H21 N O | CN1CCC(=C2.... |
13 | 5AYF | Ki = 15 uM | C7H | C21 H21 N | CN1CCC(=C2.... |
14 | 3CBM | - | ILE LYS ARG SER MLZ LYS ASN SER LEU ALA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | K15 | 1 | 1 |
2 | 62X | 0.808989 | 0.947368 |
3 | KH3 | 0.791667 | 0.986486 |
4 | KYE | 0.787234 | 0.860759 |
5 | KXW | 0.737374 | 0.906667 |
6 | HY8 | 0.699029 | 0.883117 |
7 | OZP | 0.68932 | 0.906667 |
8 | SA8 | 0.677778 | 0.932432 |
9 | KB1 | 0.666667 | 0.846154 |
10 | HZ2 | 0.663462 | 0.883117 |
11 | F0P | 0.594595 | 0.906667 |
12 | KYB | 0.584158 | 0.835443 |
13 | SAH | 0.583333 | 0.878378 |
14 | Q2M | 0.580357 | 0.858974 |
15 | Q34 | 0.580357 | 0.8375 |
16 | KY2 | 0.58 | 0.835443 |
17 | 5X8 | 0.568421 | 0.851351 |
18 | SFG | 0.568421 | 0.863014 |
19 | Q2V | 0.565217 | 0.894737 |
20 | Q2P | 0.564103 | 0.8375 |
21 | S7M | 0.56 | 0.907895 |
22 | EP4 | 0.55814 | 0.815789 |
23 | KY5 | 0.556604 | 0.88 |
24 | EEM | 0.555556 | 0.883117 |
25 | 0UM | 0.553398 | 0.945946 |
26 | KY8 | 0.552381 | 0.857143 |
27 | SAI | 0.55102 | 0.866667 |
28 | 3DH | 0.516484 | 0.837838 |
29 | MAO | 0.510417 | 0.817073 |
30 | MHZ | 0.510204 | 0.886076 |
31 | XYA | 0.505882 | 0.763158 |
32 | ADN | 0.505882 | 0.763158 |
33 | RAB | 0.505882 | 0.763158 |
34 | 5CD | 0.505747 | 0.773333 |
35 | SXZ | 0.504587 | 0.883117 |
36 | SAM | 0.5 | 0.883117 |
37 | SMM | 0.5 | 0.873418 |
38 | GJV | 0.5 | 0.7875 |
39 | 5N5 | 0.494253 | 0.786667 |
40 | 1ZZ | 0.490909 | 0.831325 |
41 | A4D | 0.488636 | 0.763158 |
42 | MYR AMP | 0.486486 | 0.831325 |
43 | 5SV | 0.485981 | 0.817073 |
44 | SSA | 0.485714 | 0.642105 |
45 | 6RE | 0.484211 | 0.775 |
46 | M2T | 0.483516 | 0.772152 |
47 | DTA | 0.483516 | 0.75641 |
48 | KAA | 0.481818 | 0.691489 |
49 | LAD | 0.481818 | 0.785714 |
50 | DSH | 0.479167 | 0.88 |
51 | MTA | 0.478261 | 0.813333 |
52 | NVA LMS | 0.477064 | 0.691489 |
53 | A5A | 0.47619 | 0.645161 |
54 | YLB | 0.475 | 0.833333 |
55 | YLP | 0.474576 | 0.833333 |
56 | J7C | 0.474227 | 0.78481 |
57 | A7D | 0.47 | 0.815789 |
58 | S4M | 0.469388 | 0.897436 |
59 | AMP MG | 0.46875 | 0.707317 |
60 | WAQ | 0.468468 | 0.783133 |
61 | GSU | 0.468468 | 0.677419 |
62 | DSZ | 0.46789 | 0.659574 |
63 | LSS | 0.46789 | 0.663158 |
64 | 54H | 0.46729 | 0.631579 |
65 | VMS | 0.46729 | 0.631579 |
66 | OMR | 0.466667 | 0.821429 |
67 | 5AL | 0.466667 | 0.73494 |
68 | CA0 | 0.465347 | 0.705882 |
69 | ME8 | 0.464286 | 0.788235 |
70 | NEC | 0.463918 | 0.786667 |
71 | 53H | 0.462963 | 0.625 |
72 | TSB | 0.462963 | 0.638298 |
73 | 5CA | 0.462963 | 0.642105 |
74 | YLC | 0.46281 | 0.788235 |
75 | U4Y | 0.462185 | 0.844156 |
76 | KG4 | 0.460784 | 0.705882 |
77 | 5AS | 0.46 | 0.659574 |
78 | AYB | 0.459677 | 0.823529 |
79 | ABM | 0.459184 | 0.722892 |
80 | 45A | 0.459184 | 0.722892 |
81 | GEK | 0.458716 | 0.844156 |
82 | A | 0.458333 | 0.698795 |
83 | ZAS | 0.458333 | 0.759494 |
84 | AMP | 0.458333 | 0.698795 |
85 | LMS | 0.458333 | 0.623656 |
86 | SRP | 0.457944 | 0.738095 |
87 | V47 | 0.457944 | 0.8 |
88 | PRX | 0.456311 | 0.768293 |
89 | F2R | 0.456 | 0.730337 |
90 | NWW | 0.455556 | 0.72973 |
91 | SON | 0.455446 | 0.738095 |
92 | AMO | 0.454545 | 0.738095 |
93 | N37 | 0.454545 | 0.818182 |
94 | 52H | 0.453704 | 0.625 |
95 | BA3 | 0.45 | 0.682353 |
96 | QA7 | 0.449541 | 0.729412 |
97 | AOC | 0.44898 | 0.766234 |
98 | XAH | 0.448276 | 0.747126 |
99 | VRT | 0.447619 | 0.855263 |
100 | G5A | 0.447619 | 0.659574 |
101 | HEJ | 0.446602 | 0.682353 |
102 | ATP | 0.446602 | 0.682353 |
103 | EU9 | 0.446281 | 0.738636 |
104 | AP5 | 0.445545 | 0.682353 |
105 | B4P | 0.445545 | 0.682353 |
106 | QXP | 0.445455 | 0.645161 |
107 | 8QN | 0.445455 | 0.73494 |
108 | 8LH | 0.444444 | 0.738095 |
109 | A2D | 0.444444 | 0.682353 |
110 | AQP | 0.442308 | 0.682353 |
111 | 5FA | 0.442308 | 0.682353 |
112 | NSS | 0.441441 | 0.642105 |
113 | AN2 | 0.441176 | 0.674419 |
114 | A3S | 0.441176 | 0.802632 |
115 | TT8 | 0.440367 | 0.88 |
116 | V2G | 0.439252 | 0.732558 |
117 | 8LE | 0.439252 | 0.709302 |
118 | SRA | 0.438776 | 0.666667 |
119 | TXA | 0.438596 | 0.717647 |
120 | AHX | 0.4375 | 0.693182 |
121 | K2H | 0.4375 | 0.794872 |
122 | ARG AMP | 0.436975 | 0.738636 |
123 | 7MD | 0.436975 | 0.767442 |
124 | M33 | 0.436893 | 0.694118 |
125 | ADX | 0.436893 | 0.623656 |
126 | DAL AMP | 0.436364 | 0.73494 |
127 | 8LQ | 0.436364 | 0.759036 |
128 | A12 | 0.435644 | 0.697674 |
129 | AP2 | 0.435644 | 0.697674 |
130 | LEU LMS | 0.433628 | 0.688172 |
131 | QXG | 0.433628 | 0.638298 |
132 | 50T | 0.432692 | 0.674419 |
133 | A3T | 0.432692 | 0.789474 |
134 | 9ZA | 0.432432 | 0.701149 |
135 | 9ZD | 0.432432 | 0.701149 |
136 | S8M | 0.432432 | 0.797468 |
137 | 5AD | 0.431818 | 0.739726 |
138 | ADP | 0.431373 | 0.682353 |
139 | A3N | 0.43 | 0.779221 |
140 | GAP | 0.429907 | 0.72619 |
141 | 0XU | 0.428571 | 0.813333 |
142 | 4AD | 0.428571 | 0.729412 |
143 | YLA | 0.428571 | 0.770115 |
144 | PAJ | 0.428571 | 0.704545 |
145 | Y3J | 0.428571 | 0.697368 |
146 | FA5 | 0.42735 | 0.738095 |
147 | AT4 | 0.427184 | 0.659091 |
148 | ADP MG | 0.427184 | 0.698795 |
149 | ADP BEF | 0.427184 | 0.698795 |
150 | 7D7 | 0.426966 | 0.714286 |
151 | PTJ | 0.426087 | 0.712644 |
152 | NB8 | 0.426087 | 0.712644 |
153 | AAT | 0.425926 | 0.833333 |
154 | AGS | 0.424528 | 0.651685 |
155 | NVA 2AD | 0.424528 | 0.844156 |
156 | YSA | 0.423729 | 0.642105 |
157 | K3H | 0.423729 | 0.765432 |
158 | 8X1 | 0.423423 | 0.65625 |
159 | AU1 | 0.423077 | 0.666667 |
160 | NWQ | 0.42268 | 0.733333 |
161 | SO8 | 0.420561 | 0.805195 |
162 | A3G | 0.42 | 0.815789 |
163 | N5O | 0.42 | 0.802632 |
164 | ACP | 0.419048 | 0.686047 |
165 | 3AM | 0.418367 | 0.666667 |
166 | J4G | 0.417391 | 0.75 |
167 | R2V | 0.417391 | 0.645161 |
168 | T99 | 0.416667 | 0.659091 |
169 | TAT | 0.416667 | 0.659091 |
170 | ANP | 0.416667 | 0.666667 |
171 | 8PZ | 0.415254 | 0.642105 |
172 | AR6 | 0.415094 | 0.702381 |
173 | APR | 0.415094 | 0.702381 |
174 | APC | 0.415094 | 0.697674 |
175 | 9K8 | 0.413793 | 0.639175 |
176 | YLY | 0.413534 | 0.845238 |
177 | 00A | 0.412281 | 0.681818 |
178 | N5A | 0.411765 | 0.8 |
179 | ADP PO3 | 0.411215 | 0.698795 |
180 | ADV | 0.411215 | 0.717647 |
181 | AD9 | 0.411215 | 0.666667 |
182 | A5D | 0.411215 | 0.75641 |
183 | ATP MG | 0.411215 | 0.698795 |
184 | APC MG | 0.411215 | 0.702381 |
185 | RBY | 0.411215 | 0.717647 |
186 | A22 | 0.410714 | 0.674419 |
187 | 4YB | 0.409836 | 0.663158 |
188 | IOT | 0.409449 | 0.761364 |
189 | ANP MG | 0.409091 | 0.674419 |
190 | ALF ADP | 0.409091 | 0.651685 |
191 | OAD | 0.408696 | 0.72619 |
192 | 3UK | 0.408696 | 0.705882 |
193 | 2AM | 0.408163 | 0.658824 |
194 | BEF ADP | 0.407407 | 0.682353 |
195 | OOB | 0.40708 | 0.714286 |
196 | 9SN | 0.40678 | 0.674157 |
197 | 2VA | 0.40566 | 0.769231 |
198 | H1Q | 0.40566 | 0.690476 |
199 | 6YZ | 0.405405 | 0.686047 |
200 | P5A | 0.405172 | 0.702128 |
201 | B5V | 0.405172 | 0.697674 |
202 | 7MC | 0.404762 | 0.790698 |
203 | N0B | 0.404412 | 0.770115 |
204 | ACQ | 0.40367 | 0.686047 |
205 | A1R | 0.403509 | 0.741176 |
206 | B5Y | 0.403361 | 0.709302 |
207 | 48N | 0.403226 | 0.732558 |
208 | HQG | 0.401786 | 0.694118 |
209 | BIS | 0.401709 | 0.681818 |
210 | 3OD | 0.401709 | 0.72619 |
211 | 80F | 0.401515 | 0.673913 |
212 | DLL | 0.4 | 0.714286 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5ylt.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ylt.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |