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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 214 families. | |||||
1 | 5VII | Ki = 51.8 nM | 5DY | C16 H18 F N3 O4 | c1cc(ccc1C.... |
2 | 6USU | - | QGM | C17 H15 Cl2 N3 O3 | c1ccc(cc1).... |
3 | 5H8F | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
4 | 2A5T | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
5 | 5VIJ | Ki = 24.3 nM | 5DX | C13 H12 Br N3 O4 | c1cc(ccc1n.... |
6 | 6UZW | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
7 | 6UZG | - | QM1 | C8 H7 N O4 | c1cc(c(nc1.... |
8 | 6UZX | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
9 | 5I57 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
10 | 5H8Q | - | 5YE | C18 H18 F N3 O S | CCN(CC1=CC.... |
11 | 5U8C | Ki = 29.58 nM | 84J | C17 H17 Br N3 O5 P | C[C@@H](c1.... |
12 | 6UZR | - | QM1 | C8 H7 N O4 | c1cc(c(nc1.... |
13 | 5KCJ | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
14 | 5DEX | Ki = 22.6 nM | 5E0 | C13 H13 N3 O4 | c1ccc(cc1).... |
15 | 5H8N | - | 5YD | C20 H18 F N3 O3 S | c1cc(cnc1).... |
16 | 5TPA | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
17 | 4NF8 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
18 | 5KDT | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
19 | 4NF4 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
20 | 4NF5 | - | 2JJ | C5 H12 N O5 P | C(C[C@H](C.... |
21 | 6USV | - | QGP | C16 H16 Cl2 N O6 P | c1cc(c(cc1.... |
22 | 5TP9 | - | GLU | C5 H9 N O4 | C(CC(=O)O).... |
23 | 6UZ6 | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
24 | 5VIH | Ki = 32.2 nM | 5DZ | C13 H12 F N3 O4 | c1cc(ccc1n.... |
25 | 5H8H | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
26 | 5I59 | ic50 = 641 nM | 67Q | C18 H19 F2 N5 O3 S2 | Cc1c(ncc(n.... |
27 | 4NF6 | Ki = 0.82 uM | 2JL | C21 H18 N2 O5 | c1ccc2c(c1.... |
28 | 5I56 | ic50 = 1530 nM | 67P | C21 H17 Cl F N3 O4 S | c1ccc(cc1).... |
29 | 5I2N | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 4NF5 | - | 2JJ | C5 H12 N O5 P | C(C[C@H](C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2JJ | 1 | 1 |
2 | 5OY | 1 | 1 |
3 | API | 0.566667 | 0.631579 |
4 | PAO | 0.488372 | 0.74 |
5 | 11C | 0.485714 | 0.675676 |
6 | UN1 | 0.485714 | 0.675676 |
7 | DHH | 0.472222 | 0.657895 |
8 | ONH | 0.459459 | 0.613636 |
9 | NPI | 0.459459 | 0.657895 |
10 | 6CL | 0.447368 | 0.615385 |
11 | 26P | 0.447368 | 0.666667 |
12 | ABH | 0.435897 | 0.853659 |
13 | RPI | 0.425532 | 0.72 |
14 | 6HN | 0.425 | 0.612245 |
15 | PSQ | 0.416667 | 0.610169 |
16 | RGP | 0.404762 | 0.897436 |
17 | GGL | 0.4 | 0.648649 |
18 | GLU | 0.4 | 0.648649 |
19 | DGL | 0.4 | 0.648649 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LUQ | 0.9634 |
2 | DER | 0.9583 |
3 | MF3 | 0.9513 |
4 | 3PG | 0.9470 |
5 | FOM | 0.9460 |
6 | F98 | 0.9429 |
7 | DXP | 0.9322 |
8 | KPA | 0.9317 |
9 | OOG | 0.9314 |
10 | RES | 0.9313 |
11 | DHM | 0.9302 |
12 | KPC | 0.9298 |
13 | M3P | 0.9295 |
14 | DEZ | 0.9292 |
15 | PC | 0.9290 |
16 | 4TP | 0.9261 |
17 | TZP | 0.9261 |
18 | 5RP | 0.9251 |
19 | 2FM | 0.9248 |
20 | E4P | 0.9228 |
21 | 1PS | 0.9223 |
22 | AKG | 0.9213 |
23 | 0L1 | 0.9185 |
24 | 9GB | 0.9185 |
25 | 1HS | 0.9183 |
26 | ABF | 0.9179 |
27 | LX1 | 0.9176 |
28 | QFJ | 0.9173 |
29 | E79 | 0.9164 |
30 | HBU | 0.9134 |
31 | GVA | 0.9109 |
32 | GGB | 0.9104 |
33 | ARG | 0.9078 |
34 | DX5 | 0.9077 |
35 | MES | 0.9066 |
36 | 4TB | 0.9064 |
37 | R5P | 0.9060 |
38 | 5DL | 0.9057 |
39 | M3L | 0.9046 |
40 | DAR | 0.9045 |
41 | 650 | 0.9044 |
42 | A5P | 0.9042 |
43 | JX7 | 0.9040 |
44 | NSB | 0.9040 |
45 | HCI | 0.9038 |
46 | XRX | 0.9037 |
47 | ILO | 0.9036 |
48 | LVD | 0.9033 |
49 | BL0 | 0.9030 |
50 | HSX | 0.9022 |
51 | SEP | 0.9021 |
52 | IAR | 0.9019 |
53 | CIR | 0.9019 |
54 | RP5 | 0.9016 |
55 | 1X4 | 0.9013 |
56 | AHN | 0.9013 |
57 | CLT | 0.9010 |
58 | MLY | 0.9003 |
59 | AZM | 0.8996 |
60 | CCD | 0.8995 |
61 | 5LD | 0.8986 |
62 | RP3 | 0.8982 |
63 | MSL | 0.8977 |
64 | R52 | 0.8976 |
65 | O45 | 0.8974 |
66 | G3P | 0.8972 |
67 | IVL | 0.8969 |
68 | Q06 | 0.8968 |
69 | PHE | 0.8958 |
70 | PML | 0.8957 |
71 | HC4 | 0.8948 |
72 | JFM | 0.8946 |
73 | NFA | 0.8945 |
74 | HFA | 0.8944 |
75 | ENW | 0.8941 |
76 | PBA | 0.8940 |
77 | GPJ | 0.8939 |
78 | LYS | 0.8939 |
79 | 13P | 0.8936 |
80 | GPF | 0.8934 |
81 | DLY | 0.8930 |
82 | CHH | 0.8926 |
83 | TEG | 0.8921 |
84 | PPY | 0.8919 |
85 | IP8 | 0.8919 |
86 | 9YT | 0.8916 |
87 | PMV | 0.8912 |
88 | ENO | 0.8911 |
89 | 2NP | 0.8907 |
90 | XRS | 0.8903 |
91 | MP5 | 0.8903 |
92 | NNH | 0.8902 |
93 | FK8 | 0.8898 |
94 | 4LR | 0.8896 |
95 | GLR | 0.8895 |
96 | E8U | 0.8894 |
97 | TYR | 0.8887 |
98 | DIR | 0.8886 |
99 | CXP | 0.8883 |
100 | P81 | 0.8881 |
101 | KNA | 0.8881 |
102 | HG3 | 0.8880 |
103 | 3S5 | 0.8878 |
104 | SYM | 0.8878 |
105 | 7OD | 0.8874 |
106 | NMH | 0.8873 |
107 | TCA | 0.8864 |
108 | PPT | 0.8852 |
109 | PLR | 0.8851 |
110 | PLP | 0.8844 |
111 | XOG | 0.8841 |
112 | 7C3 | 0.8838 |
113 | J0Z | 0.8834 |
114 | MLZ | 0.8833 |
115 | KDG | 0.8832 |
116 | FB6 | 0.8831 |
117 | HPV | 0.8827 |
118 | 4ZD | 0.8818 |
119 | GRQ | 0.8813 |
120 | DHC | 0.8811 |
121 | ENV | 0.8810 |
122 | Z70 | 0.8810 |
123 | 5SP | 0.8809 |
124 | PBN | 0.8808 |
125 | HGA | 0.8807 |
126 | G3H | 0.8803 |
127 | BVA | 0.8800 |
128 | 61M | 0.8798 |
129 | 7BC | 0.8797 |
130 | EGV | 0.8797 |
131 | F90 | 0.8795 |
132 | DPN | 0.8794 |
133 | OCA | 0.8791 |
134 | 3H2 | 0.8785 |
135 | DLT | 0.8785 |
136 | 37E | 0.8780 |
137 | N9J | 0.8780 |
138 | PGH | 0.8778 |
139 | 64Z | 0.8777 |
140 | 58X | 0.8772 |
141 | HPP | 0.8771 |
142 | S0W | 0.8771 |
143 | 011 | 0.8768 |
144 | D5X | 0.8764 |
145 | ZZU | 0.8763 |
146 | 5PV | 0.8763 |
147 | MAJ | 0.8762 |
148 | SB7 | 0.8761 |
149 | LSQ | 0.8760 |
150 | AG2 | 0.8758 |
151 | NMM | 0.8758 |
152 | 2D8 | 0.8754 |
153 | LGT | 0.8753 |
154 | SSC | 0.8750 |
155 | CYX | 0.8748 |
156 | 3YP | 0.8747 |
157 | DZA | 0.8744 |
158 | DTY | 0.8742 |
159 | 129 | 0.8738 |
160 | Q04 | 0.8732 |
161 | BCH | 0.8731 |
162 | P80 | 0.8729 |
163 | DXG | 0.8726 |
164 | Q9Z | 0.8725 |
165 | PO6 | 0.8720 |
166 | 1L5 | 0.8719 |
167 | GO2 | 0.8718 |
168 | PJL | 0.8717 |
169 | 5WN | 0.8717 |
170 | F06 | 0.8714 |
171 | PRO GLY | 0.8712 |
172 | SG3 | 0.8707 |
173 | AHC | 0.8703 |
174 | XIZ | 0.8702 |
175 | XI7 | 0.8701 |
176 | HMS | 0.8700 |
177 | TZM | 0.8695 |
178 | PRA | 0.8694 |
179 | GZ2 | 0.8693 |
180 | S7A | 0.8690 |
181 | ATX | 0.8687 |
182 | TX4 | 0.8681 |
183 | C82 | 0.8681 |
184 | PFF | 0.8679 |
185 | HF2 | 0.8677 |
186 | QH3 | 0.8677 |
187 | 8SZ | 0.8675 |
188 | GAE | 0.8673 |
189 | HXY | 0.8673 |
190 | 3QO | 0.8673 |
191 | RA7 | 0.8671 |
192 | MHN | 0.8668 |
193 | GRF | 0.8664 |
194 | 6C4 | 0.8662 |
195 | TB8 | 0.8659 |
196 | R10 | 0.8658 |
197 | OJD | 0.8658 |
198 | 2O6 | 0.8657 |
199 | SHV | 0.8653 |
200 | DAH | 0.8652 |
201 | YIE | 0.8645 |
202 | 3OL | 0.8643 |
203 | EQW | 0.8641 |
204 | ACA | 0.8637 |
205 | HRG | 0.8633 |
206 | 5OO | 0.8623 |
207 | TOH | 0.8622 |
208 | P7Y | 0.8618 |
209 | TYC | 0.8617 |
210 | YPN | 0.8616 |
211 | YOF | 0.8606 |
212 | S8V | 0.8605 |
213 | BHH | 0.8604 |
214 | KYN | 0.8592 |
215 | LY0 | 0.8589 |
216 | LTL | 0.8586 |
217 | SB9 | 0.8584 |
218 | 7UC | 0.8582 |
219 | SZ7 | 0.8580 |
220 | IAC | 0.8577 |
221 | N4B | 0.8571 |
222 | IPE | 0.8569 |
223 | MVH | 0.8568 |
224 | B3U | 0.8567 |
225 | A51 | 0.8560 |
226 | 4XF | 0.8560 |
227 | 0NX | 0.8558 |
228 | HIC | 0.8552 |
229 | GVM | 0.8552 |
230 | HAR | 0.8544 |
231 | I38 | 0.8540 |
232 | SOJ | 0.8538 |
233 | PA5 | 0.8529 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLV | 1.0257 |
2 | HAE | 1.0000 |
3 | J3K | 1.0000 |
4 | 61G | 1.0000 |
5 | 2A1 | 1.0000 |
6 | 1BP | 1.0000 |
7 | 2A3 | 1.0000 |
8 | EDO | 1.0000 |
9 | BRJ | 1.0000 |
10 | NOE | 1.0000 |
11 | MGX | 1.0000 |
12 | F50 | 1.0000 |
13 | BXA | 1.0000 |
14 | AGU | 1.0000 |
15 | PPI | 1.0000 |
16 | AKR | 1.0000 |
17 | NIE | 1.0000 |
18 | FAH | 1.0000 |
19 | GOA | 1.0000 |
20 | R3W | 1.0000 |
21 | NMU | 1.0000 |
22 | NHY | 1.0000 |
23 | F3V | 1.0000 |
24 | HVB | 1.0000 |
25 | ATO | 0.9993 |
26 | TSZ | 0.9961 |
27 | ALA | 0.9954 |
28 | OSM | 0.9953 |
29 | CP2 | 0.9916 |
30 | AOA | 0.9846 |
31 | AXO | 0.9840 |
32 | 3BR | 0.9835 |
33 | 9A4 | 0.9822 |
34 | PXO | 0.9818 |
35 | SAR | 0.9798 |
36 | GOL | 0.9787 |
37 | BU4 | 0.9767 |
38 | OXL | 0.9755 |
39 | NIS | 0.9748 |
40 | DAL | 0.9737 |
41 | OXM | 0.9733 |
42 | GXV | 0.9729 |
43 | BUA | 0.9721 |
44 | 3OH | 0.9719 |
45 | BMD | 0.9714 |
46 | BRP | 0.9711 |
47 | OXD | 0.9705 |
48 | TCV | 0.9704 |
49 | LAC | 0.9682 |
50 | 2OP | 0.9682 |
51 | PYR | 0.9679 |
52 | HGY | 0.9660 |
53 | QPT | 0.9660 |
54 | DCE | 0.9659 |
55 | NAK | 0.9647 |
56 | 6SP | 0.9642 |
57 | 1CB | 0.9640 |
58 | HBR | 0.9637 |
59 | ALQ | 0.9637 |
60 | HBS | 0.9620 |
61 | 4MZ | 0.9600 |
62 | 2HA | 0.9597 |
63 | PYM | 0.9596 |
64 | BAQ | 0.9588 |
65 | MEU | 0.9585 |
66 | 3GR | 0.9582 |
67 | 2MZ | 0.9581 |
68 | GBL | 0.9579 |
69 | BUQ | 0.9570 |
70 | BUO | 0.9557 |
71 | 3CL | 0.9532 |
72 | CRD | 0.9528 |
73 | 3MT | 0.9523 |
74 | HOW | 0.9521 |
75 | MR3 | 0.9519 |
76 | ABA | 0.9519 |
77 | 1MZ | 0.9512 |
78 | MMU | 0.9510 |
79 | 3ZS | 0.9509 |
80 | 2AI | 0.9505 |
81 | BUB | 0.9505 |
82 | ATQ | 0.9502 |
83 | JZ6 | 0.9501 |
84 | 3TR | 0.9493 |
85 | ACT | 0.9492 |
86 | ETF | 0.9490 |
87 | AMT | 0.9489 |
88 | 5Y9 | 0.9488 |
89 | 5KX | 0.9481 |
90 | 13D | 0.9474 |
91 | MTG | 0.9468 |
92 | CYS | 0.9457 |
93 | BYZ | 0.9442 |
94 | ITU | 0.9434 |
95 | BXO | 0.9429 |
96 | CB0 | 0.9427 |
97 | SO2 | 0.9425 |
98 | SLP | 0.9425 |
99 | HP4 | 0.9410 |
100 | XAP | 0.9404 |
101 | 3BB | 0.9398 |
102 | MZY | 0.9395 |
103 | TF4 | 0.9390 |
104 | PYZ | 0.9377 |
105 | N2O | 0.9375 |
106 | 5MP | 0.9367 |
107 | 9A7 | 0.9366 |
108 | ES3 | 0.9364 |
109 | 78T | 0.9358 |
110 | AF3 | 0.9357 |
111 | 2PO | 0.9353 |
112 | ACM | 0.9352 |
113 | IPA | 0.9348 |
114 | BEF | 0.9339 |
115 | VSO | 0.9338 |
116 | D2P | 0.9336 |
117 | ALF | 0.9326 |
118 | HSW | 0.9325 |
119 | PZO | 0.9319 |
120 | SEY | 0.9317 |
121 | 0CL | 0.9309 |
122 | TRI | 0.9307 |
123 | IMD | 0.9296 |
124 | BBU | 0.9282 |
125 | MSF | 0.9276 |
126 | MZ0 | 0.9268 |
127 | HUH | 0.9266 |
128 | MMQ | 0.9235 |
129 | MSM | 0.9230 |
130 | THR | 0.9220 |
131 | 2KT | 0.9218 |
132 | TAN | 0.9214 |
133 | 1AC | 0.9213 |
134 | SER | 0.9211 |
135 | TB0 | 0.9211 |
136 | CNH | 0.9209 |
137 | BBX | 0.9200 |
138 | PUT | 0.9192 |
139 | FW5 | 0.9192 |
140 | KCS | 0.9182 |
141 | HYN | 0.9182 |
142 | BVG | 0.9180 |
143 | DE2 | 0.9178 |
144 | DSN | 0.9164 |
145 | 03W | 0.9162 |
146 | DGY | 0.9162 |
147 | MTD | 0.9159 |
148 | HIU | 0.9155 |
149 | KG7 | 0.9153 |
150 | BVC | 0.9152 |
151 | FJO | 0.9147 |
152 | DXX | 0.9145 |
153 | XIX | 0.9143 |
154 | MB3 | 0.9134 |
155 | DBB | 0.9120 |
156 | A3B | 0.9120 |
157 | 3PY | 0.9118 |
158 | HAI | 0.9113 |
159 | NVI | 0.9111 |
160 | HUI | 0.9110 |
161 | B20 | 0.9108 |
162 | CXL | 0.9106 |
163 | CYH | 0.9106 |
164 | P1R | 0.9098 |
165 | A2Q | 0.9098 |
166 | 0PY | 0.9081 |
167 | BNZ | 0.9081 |
168 | CEJ | 0.9080 |
169 | CHT | 0.9074 |
170 | PRI | 0.9073 |
171 | ETX | 0.9072 |
172 | 25T | 0.9062 |
173 | 39J | 0.9057 |
174 | SMB | 0.9057 |
175 | HSL | 0.9054 |
176 | 24T | 0.9050 |
177 | 4AX | 0.9031 |
178 | 7EX | 0.9030 |
179 | L60 | 0.9028 |
180 | 1SP | 0.9026 |
181 | 8FH | 0.9024 |
182 | PHZ | 0.9023 |
183 | XPO | 0.9019 |
184 | 2HP | 0.9019 |
185 | 2EZ | 0.9013 |
186 | SGL | 0.9004 |
187 | FPO | 0.8999 |
188 | VN4 | 0.8993 |
189 | BTL | 0.8991 |
190 | HVQ | 0.8987 |
191 | TAU | 0.8986 |
192 | 2IM | 0.8985 |
193 | TMO | 0.8985 |
194 | IPH | 0.8983 |
195 | DTI | 0.8978 |
196 | EGD | 0.8976 |
197 | MCH | 0.8975 |
198 | E60 | 0.8974 |
199 | 03S | 0.8974 |
200 | DSS | 0.8968 |
201 | DMG | 0.8966 |
202 | MLA | 0.8965 |
203 | C5J | 0.8965 |
204 | HV2 | 0.8963 |
205 | C2N | 0.8963 |
206 | 8X3 | 0.8961 |
207 | 1DH | 0.8953 |
208 | MLI | 0.8952 |
209 | V1L | 0.8947 |
210 | 93B | 0.8943 |
211 | 9PO | 0.8942 |
212 | MMZ | 0.8940 |
213 | 4AP | 0.8936 |
214 | GB | 0.8936 |
215 | SSN | 0.8935 |
216 | LGA | 0.8933 |
217 | 2AP | 0.8932 |
218 | HVK | 0.8932 |
219 | PPF | 0.8931 |
220 | 3AP | 0.8930 |
221 | TAY | 0.8929 |
222 | HRZ | 0.8927 |
223 | PO4 | 0.8927 |
224 | MBN | 0.8919 |
225 | KSW | 0.8918 |
226 | TBU | 0.8917 |
227 | WOT | 0.8907 |
228 | DCY | 0.8904 |
229 | BF4 | 0.8901 |
230 | 3HL | 0.8899 |
231 | FUS | 0.8896 |
232 | ETM | 0.8887 |
233 | DMI | 0.8881 |
234 | 2HE | 0.8879 |
235 | HLT | 0.8876 |
236 | COM | 0.8875 |
237 | 3HR | 0.8868 |
238 | MLM | 0.8864 |
239 | GXE | 0.8857 |
240 | AAE | 0.8850 |
241 | HHN | 0.8850 |
242 | PIH | 0.8844 |
243 | 8CL | 0.8841 |
244 | P7I | 0.8841 |
245 | 2PA | 0.8840 |
246 | IVA | 0.8825 |
247 | 9XN | 0.8811 |
248 | POA | 0.8809 |
249 | 9SB | 0.8792 |
250 | WO6 | 0.8776 |
251 | TTO | 0.8755 |
252 | HGW | 0.8750 |
253 | P2D | 0.8688 |
254 | ART | 0.8686 |
255 | EFS | 0.8679 |
256 | 280 | 0.8605 |
257 | PEJ | 0.8598 |
This union binding pocket(no: 1) in the query (biounit: 5dex.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5dex.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |