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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 2V7T | Ka = 30200000 M^-1 | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
2 | 2CC2 | - | 5AD | C10 H13 N5 O3 | C[C@@H]1[C.... |
3 | 2CBX | - | CC5 | C9 H11 N5 O3 | c1nc(c2c(n.... |
4 | 2V7V | Ka = 4550000 M^-1 | 5FD | C10 H14 F N5 O3 | [H]/N=C/1C.... |
5 | 2V7W | - | 5FD | C10 H14 F N5 O3 | [H]/N=C/1C.... |
6 | 2V7X | Ka = 59000 M^-1 | MET | C5 H11 N O2 S | CSCC[C@@H].... |
7 | 5FIU | Ka = 2710000 M^-1 | Y3J | C10 H11 F2 N5 O3 | c1nc(c2c(n.... |
8 | 2V7U | Ka = 800000 M^-1 | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
9 | 1RQP | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
10 | 2C2W | - | 5CD | C10 H12 Cl N5 O3 | c1nc(c2c(n.... |
11 | 2C5B | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
12 | 5B6I | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 223 families. | |||||
1 | 2Q6K | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
2 | 6RYZ | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
3 | 2Q6O | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
4 | 6RZ2 | - | 5CD | C10 H12 Cl N5 O3 | c1nc(c2c(n.... |
5 | 7CCG | - | 5CD | C10 H12 Cl N5 O3 | c1nc(c2c(n.... |
6 | 2V7T | Ka = 30200000 M^-1 | SAH | C14 H20 N6 O5 S | c1nc(c2c(n.... |
7 | 2CC2 | - | 5AD | C10 H13 N5 O3 | C[C@@H]1[C.... |
8 | 2CBX | - | CC5 | C9 H11 N5 O3 | c1nc(c2c(n.... |
9 | 2V7V | Ka = 4550000 M^-1 | 5FD | C10 H14 F N5 O3 | [H]/N=C/1C.... |
10 | 2V7W | - | 5FD | C10 H14 F N5 O3 | [H]/N=C/1C.... |
11 | 2V7X | Ka = 59000 M^-1 | MET | C5 H11 N O2 S | CSCC[C@@H].... |
12 | 5FIU | Ka = 2710000 M^-1 | Y3J | C10 H11 F2 N5 O3 | c1nc(c2c(n.... |
13 | 2V7U | Ka = 800000 M^-1 | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
14 | 1RQP | - | SAM | C15 H22 N6 O5 S | C[S@@+](CC.... |
15 | 2C2W | - | 5CD | C10 H12 Cl N5 O3 | c1nc(c2c(n.... |
16 | 2C5B | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
17 | 5B6I | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | Y3J | 1 | 1 |
2 | 5AD | 0.649123 | 0.929825 |
3 | XYA | 0.627119 | 0.828125 |
4 | ADN | 0.627119 | 0.828125 |
5 | RAB | 0.627119 | 0.828125 |
6 | 5N5 | 0.606557 | 0.828125 |
7 | A4D | 0.596774 | 0.828125 |
8 | 5CD | 0.596774 | 0.870968 |
9 | NWW | 0.596774 | 0.913793 |
10 | NWQ | 0.58209 | 0.883333 |
11 | EP4 | 0.569231 | 0.779412 |
12 | DTA | 0.560606 | 0.791045 |
13 | M2T | 0.560606 | 0.757143 |
14 | MTA | 0.552239 | 0.80303 |
15 | RP1 | 0.542857 | 0.702703 |
16 | SP1 | 0.542857 | 0.702703 |
17 | 3DH | 0.536232 | 0.80303 |
18 | 7D7 | 0.532258 | 0.769231 |
19 | CC5 | 0.532258 | 0.854839 |
20 | 3AM | 0.528571 | 0.732394 |
21 | ZAS | 0.521127 | 0.768116 |
22 | A | 0.521127 | 0.746479 |
23 | AMP | 0.521127 | 0.746479 |
24 | LMS | 0.521127 | 0.654321 |
25 | SRA | 0.513889 | 0.706667 |
26 | AMP MG | 0.513889 | 0.757143 |
27 | 6RE | 0.513889 | 0.736111 |
28 | DSH | 0.506849 | 0.746479 |
29 | NEC | 0.506849 | 0.828125 |
30 | AOC | 0.506849 | 0.80303 |
31 | N5O | 0.506849 | 0.791045 |
32 | 2BA | 0.506667 | 0.742857 |
33 | CMP | 0.506667 | 0.753623 |
34 | J7C | 0.5 | 0.746479 |
35 | SFG | 0.5 | 0.80303 |
36 | A3N | 0.5 | 0.791045 |
37 | 45A | 0.5 | 0.726027 |
38 | 3AD | 0.5 | 0.8125 |
39 | A2D | 0.5 | 0.726027 |
40 | ABM | 0.5 | 0.726027 |
41 | A7D | 0.493506 | 0.779412 |
42 | N5A | 0.493333 | 0.815385 |
43 | GJV | 0.493333 | 0.726027 |
44 | S4M | 0.493333 | 0.679487 |
45 | 2AM | 0.492958 | 0.722222 |
46 | SA8 | 0.4875 | 0.726027 |
47 | MAO | 0.486842 | 0.670886 |
48 | A3P | 0.486842 | 0.722222 |
49 | BA3 | 0.486842 | 0.726027 |
50 | AP2 | 0.486842 | 0.697368 |
51 | A12 | 0.486842 | 0.697368 |
52 | A3G | 0.486486 | 0.779412 |
53 | SAH | 0.481481 | 0.768116 |
54 | SAI | 0.481481 | 0.757143 |
55 | 5X8 | 0.481013 | 0.791045 |
56 | 5AS | 0.480519 | 0.616279 |
57 | B4P | 0.480519 | 0.726027 |
58 | AP5 | 0.480519 | 0.726027 |
59 | ADP | 0.480519 | 0.726027 |
60 | S7M | 0.47619 | 0.706667 |
61 | SAM | 0.47561 | 0.706667 |
62 | AT4 | 0.474359 | 0.697368 |
63 | ADP MG | 0.474359 | 0.746479 |
64 | ADP BEF | 0.474359 | 0.746479 |
65 | SON | 0.474359 | 0.697368 |
66 | AN2 | 0.474359 | 0.716216 |
67 | A3S | 0.474359 | 0.791045 |
68 | DBM | 0.470588 | 0.847458 |
69 | TAL | 0.470588 | 0.847458 |
70 | EEM | 0.46988 | 0.706667 |
71 | MHZ | 0.468354 | 0.670886 |
72 | AU1 | 0.468354 | 0.706667 |
73 | CA0 | 0.468354 | 0.706667 |
74 | M33 | 0.468354 | 0.716216 |
75 | ADX | 0.468354 | 0.654321 |
76 | QQX | 0.465753 | 0.689189 |
77 | KL2 | 0.464789 | 0.71831 |
78 | 5F1 | 0.463768 | 0.8125 |
79 | 50T | 0.4625 | 0.716216 |
80 | HEJ | 0.4625 | 0.726027 |
81 | A3T | 0.4625 | 0.80303 |
82 | ATP | 0.4625 | 0.726027 |
83 | ACP | 0.4625 | 0.706667 |
84 | KG4 | 0.4625 | 0.706667 |
85 | H1Q | 0.4625 | 0.736111 |
86 | ACK | 0.459459 | 0.73913 |
87 | SMM | 0.458824 | 0.679487 |
88 | 7D5 | 0.458333 | 0.666667 |
89 | NX8 | 0.457831 | 0.736111 |
90 | APC | 0.45679 | 0.697368 |
91 | NWZ | 0.45679 | 0.746479 |
92 | AQP | 0.45679 | 0.726027 |
93 | APR | 0.45679 | 0.726027 |
94 | PRX | 0.45679 | 0.706667 |
95 | AR6 | 0.45679 | 0.726027 |
96 | 5FA | 0.45679 | 0.726027 |
97 | OVE | 0.453333 | 0.693333 |
98 | 5AL | 0.452381 | 0.716216 |
99 | ATP MG | 0.451219 | 0.746479 |
100 | PAP | 0.451219 | 0.712329 |
101 | ADV | 0.451219 | 0.697368 |
102 | AD9 | 0.451219 | 0.706667 |
103 | RBY | 0.451219 | 0.697368 |
104 | APC MG | 0.451219 | 0.726027 |
105 | ADP PO3 | 0.451219 | 0.746479 |
106 | AGS | 0.451219 | 0.688312 |
107 | A5D | 0.451219 | 0.791045 |
108 | A2P | 0.448718 | 0.732394 |
109 | ALF ADP | 0.447059 | 0.756757 |
110 | A5A | 0.447059 | 0.638554 |
111 | ATF | 0.447059 | 0.767123 |
112 | BEF ADP | 0.445783 | 0.726027 |
113 | G5A | 0.445783 | 0.616279 |
114 | 8LH | 0.44186 | 0.697368 |
115 | SRP | 0.44186 | 0.697368 |
116 | SSA | 0.44186 | 0.616279 |
117 | TAT | 0.440476 | 0.697368 |
118 | GAP | 0.440476 | 0.706667 |
119 | ACQ | 0.440476 | 0.706667 |
120 | T99 | 0.440476 | 0.697368 |
121 | ANP | 0.440476 | 0.706667 |
122 | QQY | 0.44 | 0.69863 |
123 | 0XU | 0.439024 | 0.80303 |
124 | 0UM | 0.438202 | 0.716216 |
125 | HQG | 0.436782 | 0.716216 |
126 | 54H | 0.436782 | 0.623529 |
127 | VMS | 0.436782 | 0.623529 |
128 | 52H | 0.436782 | 0.616279 |
129 | 8LE | 0.435294 | 0.688312 |
130 | PPS | 0.435294 | 0.634146 |
131 | AAT | 0.435294 | 0.726027 |
132 | V2G | 0.435294 | 0.670886 |
133 | 3D1 | 0.434783 | 0.75 |
134 | 3L1 | 0.434783 | 0.75 |
135 | 62X | 0.433333 | 0.679487 |
136 | KF5 | 0.432836 | 0.630769 |
137 | QA7 | 0.431818 | 0.688312 |
138 | 8LQ | 0.431818 | 0.697368 |
139 | 53H | 0.431818 | 0.616279 |
140 | A22 | 0.431818 | 0.716216 |
141 | DAL AMP | 0.431818 | 0.716216 |
142 | 5CA | 0.431818 | 0.616279 |
143 | TSB | 0.431818 | 0.630952 |
144 | VO4 ADP | 0.430233 | 0.706667 |
145 | ANP MG | 0.430233 | 0.716216 |
146 | KB1 | 0.430108 | 0.788732 |
147 | K15 | 0.428571 | 0.697368 |
148 | GEK | 0.426966 | 0.736111 |
149 | 8QN | 0.426966 | 0.716216 |
150 | OZV | 0.426966 | 0.726027 |
151 | 9ZA | 0.426966 | 0.679487 |
152 | 9ZD | 0.426966 | 0.679487 |
153 | S8M | 0.426966 | 0.736111 |
154 | 2VA | 0.426829 | 0.779412 |
155 | NOC | 0.426471 | 0.765625 |
156 | 6YZ | 0.425287 | 0.706667 |
157 | V47 | 0.425287 | 0.815385 |
158 | 4AD | 0.422222 | 0.688312 |
159 | DSZ | 0.422222 | 0.616279 |
160 | NSS | 0.422222 | 0.616279 |
161 | PAJ | 0.422222 | 0.6625 |
162 | LSS | 0.422222 | 0.602273 |
163 | AMO | 0.422222 | 0.697368 |
164 | A3R | 0.422222 | 0.679487 |
165 | 2A5 | 0.421687 | 0.662338 |
166 | 103 | 0.421053 | 0.71831 |
167 | JB6 | 0.419355 | 0.679487 |
168 | AFH | 0.418367 | 0.727273 |
169 | 7D3 | 0.417722 | 0.649351 |
170 | AHX | 0.417582 | 0.670886 |
171 | 00A | 0.417582 | 0.723684 |
172 | JNT | 0.417582 | 0.706667 |
173 | ATR | 0.416667 | 0.722222 |
174 | NVA 2AD | 0.416667 | 0.736111 |
175 | MAP | 0.41573 | 0.688312 |
176 | KY2 | 0.41573 | 0.706667 |
177 | D3Y | 0.41573 | 0.768116 |
178 | LEU LMS | 0.413043 | 0.609195 |
179 | SO8 | 0.411765 | 0.768116 |
180 | VRT | 0.411765 | 0.746479 |
181 | OOB | 0.411111 | 0.716216 |
182 | 25A | 0.411111 | 0.726027 |
183 | QXP | 0.411111 | 0.638554 |
184 | 5SV | 0.411111 | 0.670886 |
185 | KY8 | 0.408602 | 0.726027 |
186 | PR8 | 0.408602 | 0.654321 |
187 | GSU | 0.408602 | 0.616279 |
188 | LAD | 0.408602 | 0.6625 |
189 | AFX | 0.408451 | 0.772727 |
190 | AF2 AF2 AF2 AF2 AF2 AF2 | 0.407407 | 0.768116 |
191 | ADQ | 0.406593 | 0.706667 |
192 | A1R | 0.406593 | 0.679487 |
193 | KYB | 0.406593 | 0.706667 |
194 | TXA | 0.404255 | 0.697368 |
195 | PTJ | 0.404255 | 0.670886 |
196 | NB8 | 0.404255 | 0.670886 |
197 | 9K8 | 0.404255 | 0.651163 |
198 | BIS | 0.404255 | 0.746667 |
199 | FYA | 0.404255 | 0.716216 |
200 | SXZ | 0.404255 | 0.706667 |
201 | ME8 | 0.404255 | 0.646341 |
202 | GA7 | 0.40404 | 0.697368 |
203 | K2H | 0.402174 | 0.757143 |
204 | DLL | 0.402174 | 0.716216 |
205 | KYE | 0.402062 | 0.688312 |
206 | KY5 | 0.4 | 0.746479 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5FD | 0.9754 |
2 | NOS | 0.9714 |
3 | ARJ | 0.9671 |
4 | AD3 | 0.9670 |
5 | FMC | 0.9628 |
6 | MDR | 0.9608 |
7 | 5ID | 0.9601 |
8 | 6MD | 0.9592 |
9 | PRH | 0.9575 |
10 | GMP | 0.9560 |
11 | TBN | 0.9553 |
12 | UA2 | 0.9529 |
13 | IMH | 0.9509 |
14 | CL9 | 0.9509 |
15 | 1DA | 0.9500 |
16 | HPR | 0.9458 |
17 | 2FA | 0.9456 |
18 | GNG | 0.9456 |
19 | 8OX | 0.9444 |
20 | MTP | 0.9443 |
21 | 5UD | 0.9434 |
22 | MTI | 0.9420 |
23 | FMB | 0.9418 |
24 | IMG | 0.9413 |
25 | 5NB | 0.9413 |
26 | FTU | 0.9397 |
27 | MTM | 0.9382 |
28 | EKH | 0.9382 |
29 | PUR | 0.9375 |
30 | CTN | 0.9354 |
31 | 4UO | 0.9339 |
32 | MZR | 0.9321 |
33 | URI | 0.9310 |
34 | SCT | 0.9302 |
35 | MG7 | 0.9286 |
36 | CFE | 0.9283 |
37 | RPP | 0.9270 |
38 | 9DI | 0.9261 |
39 | DCF | 0.9254 |
40 | 26A | 0.9230 |
41 | 7CI | 0.9214 |
42 | 6CR | 0.9205 |
43 | 5I5 | 0.9203 |
44 | MCF | 0.9178 |
45 | MTH | 0.9174 |
46 | TMC | 0.9161 |
47 | RFZ | 0.9153 |
48 | HO4 | 0.9136 |
49 | XYP XYP | 0.9130 |
50 | S1D | 0.9116 |
51 | XIL | 0.9112 |
52 | ACE TRP | 0.9112 |
53 | JSX | 0.9108 |
54 | H7S | 0.9103 |
55 | XYP XDN | 0.9099 |
56 | Z8B | 0.9082 |
57 | VBC | 0.9079 |
58 | XYS XYP | 0.9078 |
59 | 4K2 | 0.9074 |
60 | FM2 | 0.9071 |
61 | BMC | 0.9061 |
62 | AX8 | 0.9061 |
63 | THU | 0.9061 |
64 | XDN XYP | 0.9053 |
65 | XDL XYP | 0.9035 |
66 | FM1 | 0.9032 |
67 | LVY | 0.9029 |
68 | ZYV | 0.9023 |
69 | 4GU | 0.9022 |
70 | 1SF | 0.9022 |
71 | 13A | 0.9020 |
72 | NQ7 | 0.9019 |
73 | NXB | 0.9011 |
74 | CQW | 0.8994 |
75 | Q4G | 0.8989 |
76 | ZEB | 0.8977 |
77 | 15Q | 0.8976 |
78 | Q2S | 0.8971 |
79 | 3Q0 | 0.8962 |
80 | IXG | 0.8958 |
81 | CDY | 0.8947 |
82 | XYS XYS | 0.8945 |
83 | 2FD | 0.8943 |
84 | XIF XYP | 0.8934 |
85 | RVB | 0.8921 |
86 | Y70 | 0.8910 |
87 | EF2 | 0.8906 |
88 | NIY | 0.8897 |
89 | EAT | 0.8896 |
90 | XYP XYS | 0.8895 |
91 | XYP XIF | 0.8894 |
92 | CX5 | 0.8893 |
93 | TO1 | 0.8882 |
94 | 28A | 0.8880 |
95 | IMK | 0.8880 |
96 | Z15 | 0.8877 |
97 | FLF | 0.8877 |
98 | DNB | 0.8863 |
99 | TVZ | 0.8861 |
100 | XYS AZI XYS | 0.8861 |
101 | NNR | 0.8858 |
102 | I0D | 0.8854 |
103 | RVD | 0.8854 |
104 | IMQ | 0.8847 |
105 | WCU | 0.8844 |
106 | XYP XIM | 0.8833 |
107 | 7VF | 0.8833 |
108 | F4U | 0.8832 |
109 | AUV | 0.8831 |
110 | IWH | 0.8831 |
111 | KWB | 0.8828 |
112 | 2GD | 0.8826 |
113 | SGP | 0.8821 |
114 | MQR | 0.8820 |
115 | RBV | 0.8812 |
116 | EZB | 0.8810 |
117 | TI7 | 0.8810 |
118 | 2QU | 0.8809 |
119 | P2L | 0.8807 |
120 | RVC | 0.8806 |
121 | M77 | 0.8804 |
122 | SGV | 0.8803 |
123 | VCE | 0.8803 |
124 | GP0 | 0.8798 |
125 | 6J3 | 0.8798 |
126 | AVA | 0.8797 |
127 | GPK | 0.8796 |
128 | TRP | 0.8795 |
129 | 6WR | 0.8793 |
130 | TH1 | 0.8791 |
131 | 1FL | 0.8791 |
132 | AV4 | 0.8790 |
133 | EXX | 0.8788 |
134 | Z57 | 0.8784 |
135 | LOX XYP | 0.8782 |
136 | XYP AHR | 0.8781 |
137 | DK4 | 0.8781 |
138 | JMQ | 0.8778 |
139 | AGV | 0.8776 |
140 | TR7 | 0.8776 |
141 | XTS | 0.8772 |
142 | 9UL | 0.8770 |
143 | QNI | 0.8766 |
144 | DFL | 0.8765 |
145 | ID8 | 0.8764 |
146 | QKU | 0.8764 |
147 | H4B | 0.8753 |
148 | BZM | 0.8750 |
149 | A4G | 0.8750 |
150 | 0GA | 0.8749 |
151 | 7DE | 0.8743 |
152 | X2M | 0.8742 |
153 | GLC BGC | 0.8739 |
154 | C0Y | 0.8737 |
155 | CD9 | 0.8737 |
156 | NEO | 0.8734 |
157 | Q9T | 0.8733 |
158 | FHI | 0.8733 |
159 | KCH | 0.8731 |
160 | OUA | 0.8730 |
161 | 9FN | 0.8728 |
162 | GPQ | 0.8727 |
163 | 6WU | 0.8722 |
164 | CJZ | 0.8722 |
165 | B5A | 0.8722 |
166 | 5CK | 0.8720 |
167 | AGI | 0.8717 |
168 | M0N | 0.8714 |
169 | DBS | 0.8714 |
170 | 7GY | 0.8710 |
171 | MBY | 0.8706 |
172 | LU2 | 0.8703 |
173 | X29 | 0.8702 |
174 | 0QV | 0.8701 |
175 | 1Q4 | 0.8700 |
176 | XEV | 0.8699 |
177 | GPU | 0.8694 |
178 | 6EL | 0.8692 |
179 | TIZ | 0.8689 |
180 | L5D | 0.8687 |
181 | EXG | 0.8686 |
182 | DKZ | 0.8675 |
183 | 1KN | 0.8672 |
184 | U4J | 0.8670 |
185 | 5GP | 0.8666 |
186 | B4L | 0.8663 |
187 | 5R9 | 0.8659 |
188 | WVV | 0.8658 |
189 | TGW | 0.8657 |
190 | IM4 | 0.8657 |
191 | 3D8 | 0.8651 |
192 | 14X | 0.8648 |
193 | JA3 | 0.8644 |
194 | AJ4 | 0.8644 |
195 | M01 | 0.8641 |
196 | Q11 | 0.8637 |
197 | C2M | 0.8631 |
198 | 64I | 0.8630 |
199 | CJB | 0.8626 |
200 | 16Z | 0.8625 |
201 | DS8 | 0.8623 |
202 | K80 | 0.8618 |
203 | T3P | 0.8617 |
204 | 0SY | 0.8614 |
205 | KMP | 0.8610 |
206 | 0OK | 0.8607 |
207 | NAR | 0.8605 |
208 | A45 | 0.8602 |
209 | EZN | 0.8602 |
210 | GF7 | 0.8601 |
211 | 5BX | 0.8600 |
212 | LM7 | 0.8597 |
213 | MEX | 0.8592 |
214 | 5E4 | 0.8587 |
215 | NIR | 0.8585 |
216 | DKX | 0.8584 |
217 | HVE | 0.8584 |
218 | 17C | 0.8572 |
219 | VJJ | 0.8566 |
220 | 6DE | 0.8562 |
221 | JO5 | 0.8557 |
222 | 5VU | 0.8555 |
223 | CBJ | 0.8548 |
224 | 3WN | 0.8543 |
225 | 3WO | 0.8543 |
226 | MW5 | 0.8538 |
227 | B21 | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2v7t.bio1) has 86 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |