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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 1331 families. | |||||
1 | 4PXZ | - | 6AD | C11 H17 N5 O10 P2 S | CSc1nc(c2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 5WIU | - | AQD | C21 H26 Cl N3 O2 | C[C@@H]1[C.... |
2 | 5WIV | - | AQD | C21 H26 Cl N3 O2 | C[C@@H]1[C.... |
3 | 5IU7 | Ki = 1.1 nM | 6DY | C21 H24 N8 O | c1ccc(cc1).... |
4 | 6ZDV | - | QGW | C19 H19 N O4 S | CCCc1cc2c(.... |
5 | 5K2C | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
6 | 4EIY | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
7 | 6JZH | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
8 | 6LPJ | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
9 | 5K2B | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
10 | 5IUA | Ki = 1.5 nM | 6DX | C21 H25 N9 O | c1ccc(cc1).... |
11 | 6LPK | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
12 | 5OLV | Kd = 320 nM | 9Y2 | C16 H17 F2 N3 O2 S | CC(C)(C)CC.... |
13 | 5IU4 | Ki = 0.53 nM | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
14 | 6PS7 | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
15 | 6LPL | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
16 | 5OM1 | Kd = 250 pM | T4E | C15 H11 Cl N4 O | c1ccc(cc1).... |
17 | 5IUB | Ki = 0.35 nM | 6DV | C20 H21 F2 N9 O | c1cc(oc1)c.... |
18 | 6ZDR | - | QGE | C18 H17 N O4 S | CCCc1cc2c(.... |
19 | 5K2D | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
20 | 5VRA | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
21 | 5OM4 | Kd = 250 pM | T4E | C15 H11 Cl N4 O | c1ccc(cc1).... |
22 | 5IU8 | Ki = 18 nM | 6DZ | C15 H21 N9 O | CN1CCN(CC1.... |
23 | 5MZP | - | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
24 | 5MZJ | - | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
25 | 5OLG | Kd = 2.5 nM | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
26 | 5K2A | - | ZMA | C16 H15 N7 O2 | c1cc(oc1)c.... |
27 | 5OLZ | Kd = 250 pM | T4E | C15 H11 Cl N4 O | c1ccc(cc1).... |
28 | 4PXZ | - | 6AD | C11 H17 N5 O10 P2 S | CSc1nc(c2c.... |
29 | 5ZKC | Kd = 6.4 nM | 3C0 | C18 H24 N O4 | C[N+]1([C@.... |
30 | 5YC8 | Kd = 6.4 nM | 3C0 | C18 H24 N O4 | C[N+]1([C@.... |
31 | 6RZ7 | - | KNW | C30 H30 Cl F N2 O7 | c1cc(c2c(c.... |
32 | 6RZ6 | - | KNW | C30 H30 Cl F N2 O7 | c1cc(c2c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6AD | 1 | 1 |
2 | HFD | 0.655172 | 0.864198 |
3 | JSQ | 0.655172 | 0.864198 |
4 | ADP | 0.642857 | 0.909091 |
5 | HEJ | 0.58427 | 0.909091 |
6 | ATP | 0.58427 | 0.909091 |
7 | AQP | 0.577778 | 0.909091 |
8 | 5FA | 0.577778 | 0.909091 |
9 | A2D | 0.569767 | 0.884615 |
10 | B4P | 0.568182 | 0.884615 |
11 | AP5 | 0.568182 | 0.884615 |
12 | BA3 | 0.556818 | 0.884615 |
13 | AVV | 0.556701 | 0.821429 |
14 | M33 | 0.555556 | 0.922078 |
15 | AN2 | 0.544444 | 0.897436 |
16 | AT4 | 0.544444 | 0.923077 |
17 | ANP | 0.542553 | 0.886076 |
18 | ACQ | 0.542553 | 0.886076 |
19 | 6YZ | 0.541667 | 0.886076 |
20 | CA0 | 0.538462 | 0.8625 |
21 | AD9 | 0.537634 | 0.886076 |
22 | ACP | 0.532609 | 0.886076 |
23 | APR | 0.526882 | 0.884615 |
24 | AR6 | 0.526882 | 0.884615 |
25 | ADX | 0.521739 | 0.823529 |
26 | AGS | 0.521277 | 0.911392 |
27 | AMP | 0.517241 | 0.883117 |
28 | A | 0.517241 | 0.883117 |
29 | KG4 | 0.516129 | 0.8625 |
30 | O02 | 0.515789 | 0.843373 |
31 | RGT | 0.514286 | 0.875 |
32 | PRX | 0.510638 | 0.839506 |
33 | T99 | 0.510417 | 0.923077 |
34 | TAT | 0.510417 | 0.923077 |
35 | ITT | 0.505376 | 0.858974 |
36 | 8LE | 0.505155 | 0.841463 |
37 | 5AL | 0.505155 | 0.873418 |
38 | HQG | 0.50505 | 0.897436 |
39 | ADQ | 0.504951 | 0.8625 |
40 | IVH | 0.5 | 0.807229 |
41 | ABM | 0.5 | 0.884615 |
42 | A22 | 0.5 | 0.897436 |
43 | 50T | 0.5 | 0.873418 |
44 | 45A | 0.5 | 0.884615 |
45 | HDV | 0.5 | 0.839506 |
46 | ATF | 0.5 | 0.875 |
47 | 25L | 0.495238 | 0.897436 |
48 | OAD | 0.495146 | 0.886076 |
49 | 9X8 | 0.495146 | 0.911392 |
50 | 8LH | 0.494949 | 0.851852 |
51 | APC | 0.494737 | 0.875 |
52 | 2A5 | 0.494737 | 0.839506 |
53 | AMP MG | 0.494382 | 0.846154 |
54 | NO7 | 0.49 | 0.851852 |
55 | 71V | 0.48913 | 0.948718 |
56 | 3OD | 0.485714 | 0.886076 |
57 | ME8 | 0.485714 | 0.835294 |
58 | 00A | 0.485437 | 0.809524 |
59 | 8LQ | 0.485149 | 0.851852 |
60 | QA7 | 0.485149 | 0.841463 |
61 | 8QN | 0.480392 | 0.873418 |
62 | OOB | 0.480392 | 0.85 |
63 | OZV | 0.480392 | 0.884615 |
64 | SRP | 0.48 | 0.829268 |
65 | GDP | 0.479592 | 0.841463 |
66 | ADP MG | 0.478723 | 0.858974 |
67 | 7DD | 0.478723 | 0.896104 |
68 | ADP BEF | 0.478723 | 0.858974 |
69 | A1R | 0.475728 | 0.831325 |
70 | A3R | 0.475728 | 0.831325 |
71 | PAJ | 0.475728 | 0.833333 |
72 | APC MG | 0.474227 | 0.8375 |
73 | ATR | 0.474227 | 0.883117 |
74 | AU1 | 0.473684 | 0.886076 |
75 | AP2 | 0.473118 | 0.875 |
76 | A12 | 0.473118 | 0.875 |
77 | B5M | 0.472222 | 0.841463 |
78 | PTJ | 0.471698 | 0.843373 |
79 | JNT | 0.471154 | 0.8625 |
80 | 3UK | 0.466667 | 0.839506 |
81 | 25A | 0.466019 | 0.884615 |
82 | 5SV | 0.466019 | 0.8 |
83 | NFD | 0.46281 | 0.809524 |
84 | EO7 | 0.462366 | 0.747253 |
85 | 7D3 | 0.462366 | 0.82716 |
86 | B5V | 0.462264 | 0.829268 |
87 | LAD | 0.462264 | 0.790698 |
88 | AMO | 0.461538 | 0.851852 |
89 | 4AD | 0.461538 | 0.841463 |
90 | SRA | 0.461538 | 0.886076 |
91 | ADP PO3 | 0.459184 | 0.858974 |
92 | PAP | 0.459184 | 0.896104 |
93 | ATP MG | 0.459184 | 0.858974 |
94 | 2FA | 0.458824 | 0.743902 |
95 | B5Y | 0.458716 | 0.841463 |
96 | KMQ | 0.458716 | 0.875 |
97 | 1ZZ | 0.457944 | 0.793103 |
98 | BIS | 0.457944 | 0.853659 |
99 | O05 | 0.457944 | 0.777778 |
100 | TXA | 0.457944 | 0.875 |
101 | AHX | 0.457143 | 0.821429 |
102 | DLL | 0.457143 | 0.85 |
103 | MAP | 0.456311 | 0.864198 |
104 | VO4 ADP | 0.455446 | 0.8625 |
105 | BEF ADP | 0.454545 | 0.8375 |
106 | 9ZD | 0.451923 | 0.876543 |
107 | 9ZA | 0.451923 | 0.876543 |
108 | GAP | 0.45 | 0.817073 |
109 | F2R | 0.45 | 0.795455 |
110 | 9SN | 0.449541 | 0.8 |
111 | WAQ | 0.448598 | 0.809524 |
112 | PR8 | 0.448598 | 0.781609 |
113 | V2G | 0.445545 | 0.821429 |
114 | NB8 | 0.444444 | 0.821429 |
115 | IDP | 0.444444 | 0.839506 |
116 | RBY | 0.444444 | 0.851852 |
117 | ADV | 0.444444 | 0.851852 |
118 | 48N | 0.443478 | 0.843373 |
119 | ARU | 0.443396 | 0.811765 |
120 | G5P | 0.442478 | 0.843373 |
121 | AFH | 0.442478 | 0.811765 |
122 | DAL AMP | 0.442308 | 0.85 |
123 | XAH | 0.441441 | 0.772727 |
124 | ANP MG | 0.441176 | 0.85 |
125 | ALF ADP | 0.441176 | 0.797619 |
126 | DND | 0.439655 | 0.851852 |
127 | TXD | 0.439655 | 0.831325 |
128 | ADP BMA | 0.439252 | 0.839506 |
129 | DQV | 0.438596 | 0.873418 |
130 | GTA | 0.438596 | 0.857143 |
131 | 4UV | 0.4375 | 0.819277 |
132 | HF7 | 0.436893 | 0.839506 |
133 | GTP | 0.436893 | 0.841463 |
134 | OMR | 0.435897 | 0.804598 |
135 | LAQ | 0.434783 | 0.813953 |
136 | 7DT | 0.434343 | 0.896104 |
137 | G3A | 0.433628 | 0.843373 |
138 | SON | 0.43299 | 0.851852 |
139 | FA5 | 0.432432 | 0.829268 |
140 | YLB | 0.432203 | 0.775281 |
141 | L3W | 0.432203 | 0.851852 |
142 | 6MZ | 0.431579 | 0.896104 |
143 | FYA | 0.431193 | 0.82716 |
144 | YLP | 0.431034 | 0.775281 |
145 | GA7 | 0.429825 | 0.851852 |
146 | CNA | 0.429752 | 0.851852 |
147 | 7D4 | 0.428571 | 0.82716 |
148 | A3D | 0.427419 | 0.8625 |
149 | UP5 | 0.42735 | 0.841463 |
150 | NAI | 0.42735 | 0.831325 |
151 | NAX | 0.42735 | 0.802326 |
152 | 6V0 | 0.42735 | 0.821429 |
153 | CUU | 0.424242 | 0.884615 |
154 | NIA | 0.423913 | 0.755814 |
155 | TXE | 0.423729 | 0.831325 |
156 | COD | 0.422764 | 0.788889 |
157 | NAD | 0.422764 | 0.85 |
158 | ADJ | 0.421488 | 0.784091 |
159 | T5A | 0.421488 | 0.795455 |
160 | 139 | 0.421488 | 0.802326 |
161 | IMO | 0.421053 | 0.846154 |
162 | AP0 | 0.420168 | 0.843373 |
163 | YLC | 0.420168 | 0.793103 |
164 | AMZ | 0.417582 | 0.835443 |
165 | C2R | 0.417582 | 0.825 |
166 | QBQ | 0.417476 | 0.829268 |
167 | 4UU | 0.417391 | 0.819277 |
168 | A4P | 0.416667 | 0.777778 |
169 | 80F | 0.416 | 0.837209 |
170 | 4UW | 0.415254 | 0.833333 |
171 | GNP | 0.415094 | 0.821429 |
172 | 9GM | 0.415094 | 0.821429 |
173 | MYR AMP | 0.414414 | 0.772727 |
174 | PGS | 0.414141 | 0.924051 |
175 | AV2 | 0.413462 | 0.8375 |
176 | MGP | 0.413462 | 0.855422 |
177 | TYM | 0.411765 | 0.829268 |
178 | GP3 | 0.411765 | 0.843373 |
179 | AHZ | 0.410256 | 0.835294 |
180 | DAT | 0.41 | 0.82716 |
181 | 6G0 | 0.409524 | 0.855422 |
182 | MGO | 0.409524 | 0.833333 |
183 | 4TC | 0.408333 | 0.821429 |
184 | UPA | 0.408333 | 0.831325 |
185 | CZF | 0.407767 | 0.85 |
186 | AYB | 0.406504 | 0.766667 |
187 | A2R | 0.40566 | 0.897436 |
188 | GCP | 0.40566 | 0.821429 |
189 | JB6 | 0.405405 | 0.853659 |
190 | LMS | 0.404255 | 0.781609 |
191 | GNH | 0.403846 | 0.831325 |
192 | N6P | 0.40367 | 0.833333 |
193 | NAE | 0.403101 | 0.841463 |
194 | NAQ | 0.4 | 0.821429 |
195 | 2SA | 0.4 | 0.851852 |
This union binding pocket(no: 1) in the query (biounit: 4pxz.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |