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- Structure Biounit | Ligand Information
- 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 1 families. | |||||
1 | 2IMP | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5AC1 | - | TXE | C21 H31 N7 O14 P2 | c1nc(c2c(n.... |
2 | 5L2O | ic50 = 0.76 uM | 6ZW | C14 H17 N O2 | CCN(CC)c1c.... |
3 | 6DUM | ic50 = 0.08 uM | A5Y | C21 H17 F N4 O2 S | c1ccc(cc1).... |
4 | 7JWW | ic50 = 0.36 uM | VMG | C22 H22 N4 O2 S | C[C@H](c1c.... |
5 | 5L2N | ic50 = 2.8 uM | 6ZU | C18 H16 O5 S | CC1=C(C(=O.... |
6 | 1BXS | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
7 | 5ABM | - | TXE | C21 H31 N7 O14 P2 | c1nc(c2c(n.... |
8 | 7JWV | ic50 = 0.6 uM | VMJ | C21 H20 N4 O2 S | C[C@H](c1c.... |
9 | 7JWU | ic50 = 0.242 uM | VMA | C19 H17 N5 O S | C[C@H](c1c.... |
10 | 7JWS | ic50 = 0.13 uM | VLY | C20 H18 N4 O S | C[C@H](c1c.... |
11 | 5L2M | Ki = 170 nM | 6ZY | C22 H25 N O4 | Cc1c(oc2c1.... |
12 | 4X4L | ic50 = 4.6 uM | 3XG | C21 H25 N3 O3 S2 | CCOC(=O)CS.... |
13 | 5AC0 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
14 | 7JWT | ic50 = 0.13 uM | VM4 | C20 H18 N4 O2 S | C[C@H](c1c.... |
15 | 4WP7 | ic50 = 0.8 uM | 3SR | C22 H30 N6 O4 | CC(C)CCn1c.... |
16 | 4WB9 | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
17 | 4WPN | ic50 = 0.21 uM | 3ST | C19 H30 N6 O3 | CC(C)CCn1c.... |
18 | 5AC2 | - | TXE | C21 H31 N7 O14 P2 | c1nc(c2c(n.... |
19 | 4I9B | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
20 | 4I3X | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
21 | 6J76 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
22 | 5N5S | Kd = 31 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
23 | 6VR6 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
24 | 4PZ2 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
25 | 2ID2 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
26 | 1WNB | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
27 | 3IWK | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
28 | 4A0M | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
29 | 4GNZ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
30 | 3RHR | Kd = 5.7 uM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
31 | 3RHJ | Kd = 0.0073 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
32 | 4GO2 | - | TAP | C21 H28 N7 O16 P3 S | c1cc(c[n+].... |
33 | 2O2R | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
34 | 3RHL | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
35 | 3RHO | Kd = 0.26 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
36 | 3RHQ | Kd = 9.2 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
37 | 2O2Q | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
38 | 3JZ4 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
39 | 1O01 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
40 | 2ONM | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
41 | 2VLE | - | DZN | C21 H20 O9 | c1cc(ccc1C.... |
42 | 3INL | - | BXB | C15 H11 Cl2 N O3 | c1cc(c(c(c.... |
43 | 3SZ9 | - | I3E | C11 H14 O | CCc1ccc(cc.... |
44 | 4FR8 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
45 | 1O04 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
46 | 3INJ | - | BXB | C15 H11 Cl2 N O3 | c1cc(c(c(c.... |
47 | 2ONP | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
48 | 1O02 | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
49 | 5L13 | Ki = 19 nM | 6ZE | C17 H18 O3 | CCCC1=C(c2.... |
50 | 1NZX | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
51 | 4KWG | Ki = 1 uM | 2AK | C9 H6 Br N O2 | Cc1cc2c(c(.... |
52 | 4KWF | Ki = 15 uM | 3AK | C15 H11 N O2 | c1ccc(cc1).... |
53 | 4FQF | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
54 | 1NZZ | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
55 | 5X5U | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
56 | 2W8Q | - | SIN | C4 H6 O4 | C(CC(=O)O).... |
57 | 2W8R | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
58 | 1UXT | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
59 | 1UXV | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
60 | 1UXR | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
61 | 1UXQ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
62 | 2IMP | - | NAI | C21 H29 N7 O14 P2 | c1nc(c2c(n.... |
63 | 3ZQA | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
64 | 2WOX | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
65 | 5IUW | - | IAC | C10 H9 N O2 | c1ccc2c(c1.... |
66 | 5IUV | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
67 | 1O9J | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
68 | 4I8P | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
69 | 3IWJ | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
70 | 1T90 | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
71 | 6ALJ | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
72 | 6B5G | Kd = 0.26 uM | CQY | C21 H26 N4 O4 S | CCOc1ccsc1.... |
73 | 6B5H | Kd = 1.1 uM | CU4 | C24 H17 F N4 O3 S | CS(=O)(=O).... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2OP | 1 | 1 |
2 | LAC | 1 | 1 |
3 | HBR | 0.6 | 0.615385 |
4 | HBS | 0.6 | 0.615385 |
5 | 2RH | 0.5 | 0.631579 |
6 | SRT | 0.5 | 0.611111 |
7 | TAR | 0.5 | 0.611111 |
8 | TLA | 0.5 | 0.611111 |
9 | IPM | 0.47619 | 0.631579 |
10 | KIV | 0.444444 | 0.625 |
11 | LFC | 0.434783 | 0.8 |
12 | WTZ | 0.428571 | 0.631579 |
13 | 23B | 0.428571 | 0.631579 |
14 | QFH | 0.428571 | 0.631579 |
15 | LGT | 0.421053 | 0.611111 |
16 | GAE | 0.421053 | 0.611111 |
17 | RAT | 0.421053 | 0.611111 |
18 | 3LR | 0.4 | 0.6 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NAI | 1 | 1 |
2 | 0WD | 0.814815 | 0.986842 |
3 | NDP | 0.803738 | 0.986842 |
4 | AP0 | 0.743119 | 0.961039 |
5 | NMN AMP PO4 | 0.704348 | 0.960526 |
6 | NAX | 0.663717 | 0.961538 |
7 | A2D | 0.659574 | 0.933333 |
8 | 80F | 0.65 | 0.925926 |
9 | 6V0 | 0.649123 | 0.986842 |
10 | TXE | 0.62931 | 0.948052 |
11 | BA3 | 0.628866 | 0.933333 |
12 | AP5 | 0.622449 | 0.933333 |
13 | B4P | 0.622449 | 0.933333 |
14 | TXD | 0.62069 | 0.923077 |
15 | APR | 0.613861 | 0.907895 |
16 | AR6 | 0.613861 | 0.907895 |
17 | EAD | 0.609375 | 0.961538 |
18 | AGS | 0.607843 | 0.8625 |
19 | ADP | 0.606061 | 0.907895 |
20 | 50T | 0.60396 | 0.871795 |
21 | ATP | 0.60396 | 0.907895 |
22 | HEJ | 0.60396 | 0.907895 |
23 | AT4 | 0.6 | 0.873418 |
24 | AN2 | 0.6 | 0.896104 |
25 | A22 | 0.598131 | 0.921053 |
26 | 5FA | 0.598039 | 0.907895 |
27 | AQP | 0.598039 | 0.907895 |
28 | CA0 | 0.594059 | 0.909091 |
29 | M33 | 0.594059 | 0.896104 |
30 | AD9 | 0.592233 | 0.884615 |
31 | NAJ PZO | 0.592 | 0.935897 |
32 | P1H | 0.590909 | 0.9375 |
33 | ACP | 0.588235 | 0.884615 |
34 | KG4 | 0.588235 | 0.909091 |
35 | 4AD | 0.587156 | 0.886076 |
36 | A1R | 0.587156 | 0.851852 |
37 | PRX | 0.582524 | 0.8375 |
38 | ANP | 0.580952 | 0.884615 |
39 | 3OD | 0.580357 | 0.909091 |
40 | SRP | 0.579439 | 0.873418 |
41 | ADX | 0.578431 | 0.821429 |
42 | OAD | 0.576577 | 0.909091 |
43 | 5AL | 0.575472 | 0.896104 |
44 | HQG | 0.574074 | 0.896104 |
45 | NAJ PYZ | 0.573643 | 0.890244 |
46 | A3R | 0.572727 | 0.851852 |
47 | ADJ | 0.569106 | 0.890244 |
48 | 8LQ | 0.568807 | 0.873418 |
49 | UP5 | 0.566667 | 0.960526 |
50 | ACQ | 0.566038 | 0.884615 |
51 | 8LH | 0.564815 | 0.873418 |
52 | 9X8 | 0.5625 | 0.8625 |
53 | A | 0.561224 | 0.881579 |
54 | AMP | 0.561224 | 0.881579 |
55 | 8LE | 0.560748 | 0.8625 |
56 | ATF | 0.555556 | 0.873418 |
57 | QA7 | 0.554545 | 0.8625 |
58 | JNT | 0.553571 | 0.884615 |
59 | 6YZ | 0.550459 | 0.884615 |
60 | 8QN | 0.54955 | 0.896104 |
61 | 25L | 0.547826 | 0.921053 |
62 | 4TC | 0.544715 | 0.935897 |
63 | AMO | 0.544643 | 0.897436 |
64 | ADQ | 0.544643 | 0.909091 |
65 | PAJ | 0.544643 | 0.853659 |
66 | ABM | 0.544554 | 0.858974 |
67 | 45A | 0.544554 | 0.858974 |
68 | NPW | 0.544 | 0.949367 |
69 | LAD | 0.54386 | 0.831325 |
70 | PR8 | 0.54386 | 0.821429 |
71 | WAQ | 0.54386 | 0.851852 |
72 | DQV | 0.541667 | 0.946667 |
73 | DG1 | 0.541353 | 0.986842 |
74 | 1DG | 0.541353 | 0.986842 |
75 | AMP MG | 0.54 | 0.868421 |
76 | 00A | 0.539823 | 0.875 |
77 | NZQ | 0.539683 | 0.974026 |
78 | 1ZZ | 0.53913 | 0.811765 |
79 | BIS | 0.53913 | 0.851852 |
80 | APC | 0.537736 | 0.873418 |
81 | OMR | 0.536585 | 0.823529 |
82 | 25A | 0.535714 | 0.907895 |
83 | 5SV | 0.535714 | 0.797619 |
84 | OOB | 0.535714 | 0.921053 |
85 | 3UK | 0.535088 | 0.909091 |
86 | A12 | 0.533981 | 0.873418 |
87 | AP2 | 0.533981 | 0.873418 |
88 | B5V | 0.530435 | 0.897436 |
89 | DND | 0.528455 | 0.922078 |
90 | CNA | 0.527559 | 0.922078 |
91 | AHX | 0.526316 | 0.864198 |
92 | DLL | 0.526316 | 0.921053 |
93 | NB8 | 0.525862 | 0.864198 |
94 | ME8 | 0.525862 | 0.811765 |
95 | PTJ | 0.525862 | 0.841463 |
96 | FYA | 0.525862 | 0.871795 |
97 | KMQ | 0.525424 | 0.897436 |
98 | B5M | 0.525424 | 0.886076 |
99 | SRA | 0.524752 | 0.8375 |
100 | ADP MG | 0.52381 | 0.881579 |
101 | ADP BEF | 0.52381 | 0.881579 |
102 | SON | 0.52381 | 0.873418 |
103 | TAT | 0.522936 | 0.873418 |
104 | T99 | 0.522936 | 0.873418 |
105 | OZV | 0.522124 | 0.907895 |
106 | YLP | 0.520325 | 0.793103 |
107 | 48N | 0.520325 | 0.864198 |
108 | L3W | 0.52 | 0.973333 |
109 | YLB | 0.52 | 0.793103 |
110 | AU1 | 0.518868 | 0.884615 |
111 | ADP PO3 | 0.518519 | 0.881579 |
112 | ATP MG | 0.518519 | 0.881579 |
113 | V2G | 0.518182 | 0.841463 |
114 | 9SN | 0.516949 | 0.864198 |
115 | BEF ADP | 0.513761 | 0.858974 |
116 | DAL AMP | 0.513274 | 0.871795 |
117 | TXA | 0.512821 | 0.897436 |
118 | FA5 | 0.512605 | 0.897436 |
119 | B5Y | 0.512605 | 0.886076 |
120 | GAP | 0.509091 | 0.860759 |
121 | 9ZA | 0.508772 | 0.851852 |
122 | 9ZD | 0.508772 | 0.851852 |
123 | 4UU | 0.508197 | 0.960526 |
124 | YLC | 0.507937 | 0.833333 |
125 | T5A | 0.507812 | 0.925926 |
126 | RBY | 0.504587 | 0.873418 |
127 | APC MG | 0.504587 | 0.858974 |
128 | ADV | 0.504587 | 0.873418 |
129 | 4UW | 0.504 | 0.924051 |
130 | TXP | 0.503876 | 0.911392 |
131 | VO4 ADP | 0.5 | 0.860759 |
132 | LAQ | 0.5 | 0.811765 |
133 | TYM | 0.5 | 0.897436 |
134 | G3A | 0.5 | 0.8875 |
135 | F2R | 0.5 | 0.813953 |
136 | ANP MG | 0.5 | 0.871795 |
137 | ALF ADP | 0.5 | 0.817073 |
138 | COD | 0.496183 | 0.786517 |
139 | YLA | 0.496124 | 0.813953 |
140 | 139 | 0.496124 | 0.9125 |
141 | AFH | 0.495935 | 0.853659 |
142 | G5P | 0.495935 | 0.8875 |
143 | XAH | 0.495868 | 0.811765 |
144 | BT5 | 0.492424 | 0.784091 |
145 | AYB | 0.492308 | 0.784091 |
146 | A4P | 0.492188 | 0.880952 |
147 | GTA | 0.491935 | 0.855422 |
148 | 4UV | 0.491803 | 0.960526 |
149 | A2R | 0.491228 | 0.896104 |
150 | MAP | 0.486957 | 0.8625 |
151 | XNP | 0.484848 | 0.936709 |
152 | NAD | 0.484848 | 0.921053 |
153 | UPA | 0.484375 | 0.948052 |
154 | 7MD | 0.483871 | 0.833333 |
155 | ARG AMP | 0.483871 | 0.781609 |
156 | MYR AMP | 0.483333 | 0.790698 |
157 | NA7 | 0.483051 | 0.873418 |
158 | YLY | 0.477941 | 0.784091 |
159 | ATR | 0.477477 | 0.881579 |
160 | ALF ADP 3PG | 0.476562 | 0.809524 |
161 | AOC | 0.47619 | 0.792208 |
162 | ATP A | 0.47541 | 0.894737 |
163 | ATP A A A | 0.47541 | 0.894737 |
164 | BTX | 0.473684 | 0.793103 |
165 | NDP DTT | 0.472222 | 0.902439 |
166 | 5AS | 0.472222 | 0.736264 |
167 | GA7 | 0.472 | 0.873418 |
168 | LMS | 0.471154 | 0.77907 |
169 | NAQ | 0.471014 | 0.864198 |
170 | LEU LMS | 0.470588 | 0.709677 |
171 | ADP BMA | 0.470588 | 0.884615 |
172 | N0B | 0.467626 | 0.835294 |
173 | A3D | 0.466667 | 0.909091 |
174 | NJP | 0.466165 | 0.910256 |
175 | IOT | 0.465649 | 0.784091 |
176 | AF3 ADP 3PG | 0.465116 | 0.809524 |
177 | PAP | 0.464286 | 0.894737 |
178 | D4F | 0.463768 | 0.833333 |
179 | NAE | 0.463768 | 0.886076 |
180 | NAD TDB | 0.461538 | 0.907895 |
181 | NAD IBO | 0.461538 | 0.907895 |
182 | 7MC | 0.461538 | 0.813953 |
183 | H1Q | 0.459459 | 0.846154 |
184 | DZD | 0.459259 | 0.876543 |
185 | ZID | 0.457143 | 0.909091 |
186 | TAD | 0.456693 | 0.853659 |
187 | 2A5 | 0.455357 | 0.8375 |
188 | 62F | 0.453947 | 0.833333 |
189 | AHZ | 0.453125 | 0.790698 |
190 | FB0 | 0.452055 | 0.76087 |
191 | JB6 | 0.45082 | 0.851852 |
192 | 7D4 | 0.45045 | 0.825 |
193 | ITT | 0.45045 | 0.857143 |
194 | LPA AMP | 0.449612 | 0.790698 |
195 | G5A | 0.447368 | 0.755556 |
196 | M24 | 0.446043 | 0.843373 |
197 | AVV | 0.445378 | 0.841463 |
198 | NDC | 0.442177 | 0.864198 |
199 | NSS | 0.441667 | 0.775281 |
200 | 4TA | 0.441176 | 0.890244 |
201 | 54H | 0.440678 | 0.764045 |
202 | VMS | 0.440678 | 0.764045 |
203 | 7D3 | 0.440367 | 0.825 |
204 | 5CD | 0.44 | 0.753247 |
205 | PPS | 0.439655 | 0.8 |
206 | XYA | 0.438776 | 0.789474 |
207 | RAB | 0.438776 | 0.789474 |
208 | ADN | 0.438776 | 0.789474 |
209 | NDE | 0.438356 | 0.897436 |
210 | NVA LMS | 0.438017 | 0.731183 |
211 | AR6 AR6 | 0.4375 | 0.883117 |
212 | 8X1 | 0.436975 | 0.731183 |
213 | TSB | 0.436975 | 0.793103 |
214 | 53H | 0.436975 | 0.755556 |
215 | DTA | 0.436893 | 0.759494 |
216 | A3P | 0.436364 | 0.881579 |
217 | A2P | 0.436364 | 0.868421 |
218 | A5A | 0.435897 | 0.781609 |
219 | FNK | 0.435065 | 0.840909 |
220 | HFD | 0.434783 | 0.8625 |
221 | JSQ | 0.434783 | 0.8625 |
222 | ODP | 0.433824 | 0.924051 |
223 | SFG | 0.433628 | 0.725 |
224 | Z5A | 0.433566 | 0.858824 |
225 | 6FA | 0.433333 | 0.835294 |
226 | SSA | 0.432203 | 0.775281 |
227 | J7C | 0.431193 | 0.702381 |
228 | DTP | 0.431034 | 0.825 |
229 | P5A | 0.430894 | 0.723404 |
230 | AMP NAD | 0.430657 | 0.896104 |
231 | 5N5 | 0.43 | 0.766234 |
232 | DSZ | 0.429752 | 0.775281 |
233 | LSS | 0.429752 | 0.73913 |
234 | NO7 | 0.428571 | 0.873418 |
235 | 52H | 0.428571 | 0.755556 |
236 | SFD | 0.427632 | 0.731959 |
237 | 9K8 | 0.427419 | 0.712766 |
238 | 6AD | 0.42735 | 0.831325 |
239 | EP4 | 0.427184 | 0.707317 |
240 | FDA | 0.426667 | 0.870588 |
241 | ARU | 0.42623 | 0.788235 |
242 | 6RE | 0.425926 | 0.694118 |
243 | A4D | 0.425743 | 0.766234 |
244 | 5CA | 0.425 | 0.775281 |
245 | 3DH | 0.424528 | 0.725 |
246 | AV2 | 0.423729 | 0.835443 |
247 | AMP DBH | 0.421875 | 0.860759 |
248 | 5X8 | 0.421053 | 0.7375 |
249 | DAT | 0.421053 | 0.825 |
250 | GSU | 0.419355 | 0.755556 |
251 | MTA | 0.419048 | 0.725 |
252 | 3AT | 0.418803 | 0.883117 |
253 | ETB | 0.41844 | 0.786517 |
254 | DCA | 0.41844 | 0.777778 |
255 | FAS | 0.418301 | 0.845238 |
256 | FAD | 0.418301 | 0.845238 |
257 | A3N | 0.418182 | 0.759494 |
258 | K3K | 0.417323 | 0.797468 |
259 | F2N | 0.417178 | 0.850575 |
260 | 38V | 0.416667 | 0.855422 |
261 | 7D5 | 0.415094 | 0.8 |
262 | B1U | 0.414062 | 0.734043 |
263 | YSA | 0.414062 | 0.775281 |
264 | NAD BBN | 0.412903 | 0.835294 |
265 | 0T1 | 0.412587 | 0.777778 |
266 | 2AM | 0.411215 | 0.857143 |
267 | K3E | 0.410853 | 0.7875 |
268 | 9JJ | 0.409938 | 0.855422 |
269 | M2T | 0.409524 | 0.690476 |
270 | CUU | 0.408696 | 0.883117 |
271 | V47 | 0.408333 | 0.779221 |
272 | KAA | 0.408 | 0.731183 |
273 | 7C5 | 0.407692 | 0.790123 |
274 | 3AM | 0.407407 | 0.844156 |
275 | NAP | 0.406897 | 0.909091 |
276 | 8PZ | 0.40625 | 0.795455 |
277 | KOY | 0.406015 | 0.797468 |
278 | PUA | 0.405594 | 0.9 |
279 | FAY | 0.405063 | 0.855422 |
280 | P5F | 0.404908 | 0.83908 |
281 | EEM | 0.403361 | 0.670455 |
282 | COA | 0.402778 | 0.777778 |
283 | RFL | 0.402516 | 0.816092 |
284 | GJV | 0.401786 | 0.686047 |
285 | 6MZ | 0.401786 | 0.846154 |
286 | SA8 | 0.401709 | 0.686047 |
287 | WSA | 0.4 | 0.784091 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5Y9 | 1.0289 |
2 | HGY | 1.0000 |
3 | NIS | 1.0000 |
4 | DAL | 1.0000 |
5 | OXD | 1.0000 |
6 | ALA | 1.0000 |
7 | BUO | 1.0000 |
8 | PYM | 1.0000 |
9 | ALQ | 1.0000 |
10 | PYR | 1.0000 |
11 | NAK | 1.0000 |
12 | OXL | 1.0000 |
13 | OXM | 1.0000 |
14 | 03W | 0.9885 |
15 | DGY | 0.9885 |
16 | TF4 | 0.9863 |
17 | HIU | 0.9844 |
18 | DSN | 0.9822 |
19 | SER | 0.9792 |
20 | MB3 | 0.9769 |
21 | 1AC | 0.9766 |
22 | C2N | 0.9761 |
23 | FAH | 0.9752 |
24 | AOA | 0.9747 |
25 | DCY | 0.9724 |
26 | HUI | 0.9723 |
27 | DE2 | 0.9721 |
28 | PPI | 0.9715 |
29 | DXX | 0.9713 |
30 | 2RA | 0.9707 |
31 | GLV | 0.9704 |
32 | CYS | 0.9696 |
33 | NIE | 0.9693 |
34 | SMB | 0.9687 |
35 | GLY | 0.9682 |
36 | GOA | 0.9670 |
37 | R3W | 0.9657 |
38 | HAE | 0.9650 |
39 | KSW | 0.9644 |
40 | AKR | 0.9644 |
41 | MLI | 0.9642 |
42 | 39J | 0.9640 |
43 | 3ZS | 0.9636 |
44 | 3PY | 0.9631 |
45 | 3OH | 0.9625 |
46 | 4AX | 0.9621 |
47 | HSL | 0.9616 |
48 | F50 | 0.9614 |
49 | 2KT | 0.9613 |
50 | 3MT | 0.9608 |
51 | DMI | 0.9605 |
52 | KG7 | 0.9603 |
53 | F3V | 0.9600 |
54 | ALF | 0.9597 |
55 | AGU | 0.9595 |
56 | BU4 | 0.9594 |
57 | HVB | 0.9588 |
58 | THR | 0.9586 |
59 | ABA | 0.9584 |
60 | SAR | 0.9582 |
61 | B20 | 0.9581 |
62 | GBL | 0.9580 |
63 | BMD | 0.9579 |
64 | BAL | 0.9577 |
65 | DBB | 0.9564 |
66 | DTI | 0.9563 |
67 | BNZ | 0.9563 |
68 | NHY | 0.9563 |
69 | 1CB | 0.9558 |
70 | 0PY | 0.9558 |
71 | MGX | 0.9554 |
72 | DMG | 0.9552 |
73 | 3TR | 0.9551 |
74 | BAQ | 0.9544 |
75 | A3B | 0.9541 |
76 | 61G | 0.9536 |
77 | PHZ | 0.9536 |
78 | TAY | 0.9536 |
79 | 6SP | 0.9535 |
80 | P1R | 0.9532 |
81 | 2A3 | 0.9530 |
82 | BUA | 0.9529 |
83 | ETF | 0.9526 |
84 | 2A1 | 0.9522 |
85 | TMO | 0.9521 |
86 | HOW | 0.9508 |
87 | MMZ | 0.9505 |
88 | 1MZ | 0.9502 |
89 | ATO | 0.9501 |
90 | AMT | 0.9494 |
91 | 2MZ | 0.9493 |
92 | PPF | 0.9490 |
93 | IVA | 0.9489 |
94 | XAP | 0.9483 |
95 | TSZ | 0.9482 |
96 | 4MZ | 0.9482 |
97 | BUQ | 0.9479 |
98 | NMU | 0.9471 |
99 | PXO | 0.9463 |
100 | GOL | 0.9462 |
101 | 03S | 0.9461 |
102 | MR3 | 0.9458 |
103 | CXL | 0.9456 |
104 | CYH | 0.9456 |
105 | BXA | 0.9455 |
106 | MLA | 0.9446 |
107 | ATQ | 0.9443 |
108 | JZ6 | 0.9443 |
109 | 2AI | 0.9443 |
110 | HSW | 0.9442 |
111 | HLT | 0.9433 |
112 | 3GR | 0.9426 |
113 | 3HR | 0.9423 |
114 | EGD | 0.9418 |
115 | BRP | 0.9417 |
116 | J3K | 0.9416 |
117 | PZO | 0.9410 |
118 | 5KX | 0.9403 |
119 | 9A4 | 0.9399 |
120 | IPH | 0.9395 |
121 | BF4 | 0.9394 |
122 | 2HP | 0.9392 |
123 | FPO | 0.9392 |
124 | 2AP | 0.9390 |
125 | HVK | 0.9390 |
126 | MBN | 0.9383 |
127 | MEU | 0.9379 |
128 | TRI | 0.9378 |
129 | 3BB | 0.9376 |
130 | 3AP | 0.9371 |
131 | 5MP | 0.9371 |
132 | SLP | 0.9371 |
133 | 7EX | 0.9368 |
134 | C5J | 0.9361 |
135 | TBU | 0.9357 |
136 | BUB | 0.9355 |
137 | HUH | 0.9353 |
138 | MZY | 0.9350 |
139 | HV2 | 0.9348 |
140 | 3CL | 0.9347 |
141 | IMD | 0.9345 |
142 | A2Q | 0.9345 |
143 | BXO | 0.9345 |
144 | TB0 | 0.9342 |
145 | 2IM | 0.9338 |
146 | MTG | 0.9334 |
147 | HYN | 0.9334 |
148 | LGA | 0.9332 |
149 | PO4 | 0.9331 |
150 | L60 | 0.9324 |
151 | 9PO | 0.9323 |
152 | PYZ | 0.9322 |
153 | HRZ | 0.9320 |
154 | GXE | 0.9319 |
155 | BYZ | 0.9317 |
156 | HAI | 0.9315 |
157 | MRY | 0.9315 |
158 | 8CL | 0.9309 |
159 | MLM | 0.9307 |
160 | TAN | 0.9300 |
161 | GB | 0.9296 |
162 | 93Q | 0.9294 |
163 | V1L | 0.9294 |
164 | ES3 | 0.9292 |
165 | 2HA | 0.9291 |
166 | 3HL | 0.9291 |
167 | HHN | 0.9289 |
168 | 23W | 0.9280 |
169 | 4AP | 0.9277 |
170 | LER | 0.9272 |
171 | 24T | 0.9270 |
172 | FUS | 0.9270 |
173 | 3ZQ | 0.9269 |
174 | CNH | 0.9265 |
175 | WOT | 0.9263 |
176 | L89 | 0.9262 |
177 | GXV | 0.9259 |
178 | CAQ | 0.9257 |
179 | AAE | 0.9257 |
180 | DTL | 0.9256 |
181 | VSO | 0.9250 |
182 | CP2 | 0.9248 |
183 | NVI | 0.9247 |
184 | 192 | 0.9246 |
185 | TTO | 0.9244 |
186 | JZ0 | 0.9242 |
187 | 76X | 0.9240 |
188 | 938 | 0.9239 |
189 | 1AN | 0.9232 |
190 | XIX | 0.9230 |
191 | 93B | 0.9225 |
192 | 2AF | 0.9224 |
193 | FP2 | 0.9220 |
194 | 8LG | 0.9220 |
195 | OXE | 0.9218 |
196 | 1BP | 0.9216 |
197 | 4XX | 0.9210 |
198 | CHT | 0.9208 |
199 | PRI | 0.9203 |
200 | 2CH | 0.9201 |
201 | 92Z | 0.9201 |
202 | PIH | 0.9200 |
203 | 2PA | 0.9196 |
204 | HTS | 0.9193 |
205 | TCV | 0.9181 |
206 | HGW | 0.9179 |
207 | CEJ | 0.9173 |
208 | P2D | 0.9169 |
209 | BEW | 0.9164 |
210 | 40O | 0.9162 |
211 | TMT | 0.9159 |
212 | FW5 | 0.9156 |
213 | ITU | 0.9155 |
214 | TMZ | 0.9142 |
215 | 25T | 0.9131 |
216 | 8X3 | 0.9115 |
217 | MZ0 | 0.9114 |
218 | DCD | 0.9111 |
219 | E60 | 0.9110 |
220 | SSN | 0.9106 |
221 | 4DX | 0.9106 |
222 | XPO | 0.9105 |
223 | D2P | 0.9103 |
224 | J1Z | 0.9103 |
225 | 280 | 0.9101 |
226 | PEJ | 0.9099 |
227 | YAN | 0.9098 |
228 | 8FH | 0.9098 |
229 | SGL | 0.9086 |
230 | PRS | 0.9085 |
231 | TAU | 0.9084 |
232 | ART | 0.9084 |
233 | WO6 | 0.9082 |
234 | 6X8 | 0.9081 |
235 | 278 | 0.9072 |
236 | TFB | 0.9068 |
237 | MMQ | 0.9065 |
238 | H3M | 0.9056 |
239 | 285 | 0.9043 |
240 | BAE | 0.9037 |
241 | FJO | 0.9035 |
242 | MMU | 0.9031 |
243 | BVG | 0.9029 |
244 | HDA | 0.9023 |
245 | DTT | 0.9019 |
246 | 9XN | 0.9015 |
247 | FMS | 0.9011 |
248 | IQ0 | 0.8990 |
249 | ETM | 0.8988 |
250 | DPR | 0.8985 |
251 | 1DH | 0.8984 |
252 | URA | 0.8983 |
253 | TFS | 0.8981 |
254 | 2HE | 0.8971 |
255 | AKB | 0.8969 |
256 | 2EZ | 0.8967 |
257 | DUC | 0.8964 |
258 | PRO | 0.8963 |
259 | LG3 | 0.8962 |
260 | VAL | 0.8954 |
261 | FCN | 0.8950 |
262 | HPY | 0.8948 |
263 | RP7 | 0.8946 |
264 | POA | 0.8944 |
265 | 8GF | 0.8944 |
266 | 26D | 0.8935 |
267 | CYT | 0.8935 |
268 | ICN | 0.8930 |
269 | ODV | 0.8928 |
270 | DTU | 0.8918 |
271 | 9SB | 0.8917 |
272 | P7I | 0.8915 |
273 | HCS | 0.8913 |
274 | ALO | 0.8909 |
275 | EDO | 0.8904 |
276 | BVC | 0.8904 |
277 | MSF | 0.8902 |
278 | PUT | 0.8896 |
279 | NCM | 0.8895 |
280 | 25R | 0.8894 |
281 | CSS | 0.8893 |
282 | LG5 | 0.8893 |
283 | HSE | 0.8893 |
284 | 2PC | 0.8893 |
285 | PAE | 0.8889 |
286 | BVF | 0.8886 |
287 | CRS | 0.8884 |
288 | BTL | 0.8878 |
289 | HVQ | 0.8876 |
290 | DAB | 0.8875 |
291 | 9X7 | 0.8872 |
292 | RCO | 0.8869 |
293 | MAK | 0.8868 |
294 | TZC | 0.8867 |
295 | CIG | 0.8866 |
296 | DA1 | 0.8864 |
297 | FOA | 0.8861 |
298 | HHQ | 0.8861 |
299 | LG4 | 0.8860 |
300 | RSF | 0.8857 |
301 | 273 | 0.8850 |
302 | HGQ | 0.8848 |
303 | NVA | 0.8845 |
304 | JBN | 0.8843 |
305 | HQE | 0.8842 |
306 | CRD | 0.8842 |
307 | PCR | 0.8837 |
308 | B3R | 0.8830 |
309 | PYC | 0.8818 |
310 | ICC | 0.8818 |
311 | 3CH | 0.8815 |
312 | 4JU | 0.8812 |
313 | 284 | 0.8812 |
314 | 4HS | 0.8808 |
315 | 1XX | 0.8807 |
316 | 4JN | 0.8798 |
317 | 4H2 | 0.8796 |
318 | M3T | 0.8796 |
319 | BML | 0.8793 |
320 | 4CH | 0.8792 |
321 | IOL | 0.8791 |
322 | TP5 | 0.8789 |
323 | NEQ | 0.8785 |
324 | IDH | 0.8779 |
325 | PXY | 0.8778 |
326 | YHO | 0.8773 |
327 | FPN | 0.8769 |
328 | CP | 0.8761 |
329 | PLQ | 0.8760 |
330 | ECE | 0.8759 |
331 | 69O | 0.8752 |
332 | T2C | 0.8748 |
333 | 1DU | 0.8748 |
334 | 2MH | 0.8727 |
335 | 9YL | 0.8724 |
336 | SYN | 0.8715 |
337 | TZZ | 0.8710 |
338 | SAT | 0.8708 |
339 | OSM | 0.8702 |
340 | ISU | 0.8700 |
341 | 3SY | 0.8685 |
342 | URF | 0.8677 |
343 | ACT | 0.8663 |
344 | 282 | 0.8660 |
345 | MTD | 0.8632 |
346 | NOE | 0.8611 |
347 | WBU | 0.8600 |
348 | NBE | 0.8595 |
349 | ABN | 0.8588 |
350 | APY | 0.8584 |
351 | JZ3 | 0.8581 |
352 | AF3 | 0.8579 |
353 | BRJ | 0.8577 |
354 | HZP | 0.8543 |
This union binding pocket(no: 2) in the query (biounit: 2imp.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2imp.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2imp.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 2imp.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 2imp.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 7) in the query (biounit: 2imp.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 8) in the query (biounit: 2imp.bio1) has 11 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |