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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 | 2W6O | ic50 = 60.8 uM | OA3 | C10 H13 N3 O | CC1(Cc2c(c.... |
2 | 3JZI | ic50 = 5 uM | JZL | C23 H28 Cl N5 O2 | c1ccc(c(c1.... |
3 | 3JZF | ic50 = 5 uM | JZK | C22 H25 Cl N4 O | c1ccc(c(c1.... |
4 | 3G8C | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
5 | 3RV3 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
6 | 2V59 | Kd = 6.53 nM | LZK | C15 H15 N5 O2 | COc1cccc(c.... |
7 | 2W70 | ic50 = 12 uM | L22 | C7 H7 N5 S | c1cnc(nc1c.... |
8 | 3RV4 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
9 | 2W6P | ic50 = 0.333 uM | OA4 | C15 H14 N4 | Cc1c(ccc2c.... |
10 | 3G8D | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 1DV2 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
12 | 2V5A | ic50 = 150 nM | LZL | C17 H15 N5 | c1ccc(cc1).... |
13 | 2W6N | ic50 = 0.125 uM | OA2 | C18 H17 N3 O2 | c1ccc(cc1).... |
14 | 2W6M | ic50 = 21.5 uM | OA1 | C10 H7 Br N2 O2 | c1cc(cc(c1.... |
15 | 2W6Q | ic50 = 25.4 uM | OA5 | C11 H13 N5 O2 | c1ccc(cc1).... |
16 | 2J9G | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
17 | 2W6Z | ic50 = 1500 uM | L21 | C10 H13 N5 | CC(=CCn1cn.... |
18 | 6OI9 | - | MQM | C18 H18 Cl2 N6 | c1cc(c(c(c.... |
19 | 2V58 | Kd = 0.82 nM | LZJ | C13 H9 Br2 N5 | c1cc(c(c(c.... |
20 | 3RUP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
21 | 2W71 | ic50 = 0.334 uM | L23 | C15 H13 Cl2 N5 | Cc1nc(cn1C.... |
22 | 2VQD | - | AP2 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
23 | 4MV6 | - | PCT | C2 H6 N O4 P | C(C(=O)N)P.... |
24 | 4RZQ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
25 | 4MV4 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
26 | 4MV1 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
27 | 4MV8 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
28 | 4MV7 | - | PPF | C H3 O5 P | C(=O)(O)P(.... |
29 | 4MV3 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
30 | 6OI8 | - | MQV | C23 H20 Cl N7 | c1cc(c(c(c.... |
31 | 2VPQ | - | ANP | C10 H17 N6 O12 P3 | 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 | 2W6O | ic50 = 60.8 uM | OA3 | C10 H13 N3 O | CC1(Cc2c(c.... |
2 | 3JZI | ic50 = 5 uM | JZL | C23 H28 Cl N5 O2 | c1ccc(c(c1.... |
3 | 3JZF | ic50 = 5 uM | JZK | C22 H25 Cl N4 O | c1ccc(c(c1.... |
4 | 3G8C | - | BTN | C10 H16 N2 O3 S | C1[C@H]2[C.... |
5 | 3RV3 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
6 | 2V59 | Kd = 6.53 nM | LZK | C15 H15 N5 O2 | COc1cccc(c.... |
7 | 2W70 | ic50 = 12 uM | L22 | C7 H7 N5 S | c1cnc(nc1c.... |
8 | 3RV4 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
9 | 2W6P | ic50 = 0.333 uM | OA4 | C15 H14 N4 | Cc1c(ccc2c.... |
10 | 3G8D | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
11 | 1DV2 | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
12 | 2V5A | ic50 = 150 nM | LZL | C17 H15 N5 | c1ccc(cc1).... |
13 | 2W6N | ic50 = 0.125 uM | OA2 | C18 H17 N3 O2 | c1ccc(cc1).... |
14 | 2W6M | ic50 = 21.5 uM | OA1 | C10 H7 Br N2 O2 | c1cc(cc(c1.... |
15 | 2W6Q | ic50 = 25.4 uM | OA5 | C11 H13 N5 O2 | c1ccc(cc1).... |
16 | 2J9G | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
17 | 2W6Z | ic50 = 1500 uM | L21 | C10 H13 N5 | CC(=CCn1cn.... |
18 | 6OI9 | - | MQM | C18 H18 Cl2 N6 | c1cc(c(c(c.... |
19 | 2V58 | Kd = 0.82 nM | LZJ | C13 H9 Br2 N5 | c1cc(c(c(c.... |
20 | 3RUP | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
21 | 2W71 | ic50 = 0.334 uM | L23 | C15 H13 Cl2 N5 | Cc1nc(cn1C.... |
22 | 2VQD | - | AP2 | C11 H17 N5 O9 P2 | c1nc(c2c(n.... |
23 | 4MV6 | - | PCT | C2 H6 N O4 P | C(C(=O)N)P.... |
24 | 4RZQ | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
25 | 4MV4 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
26 | 4MV1 | - | ADP | C10 H15 N5 O10 P2 | c1nc(c2c(n.... |
27 | 4MV8 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
28 | 4MV7 | - | PPF | C H3 O5 P | C(=O)(O)P(.... |
29 | 4MV3 | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
30 | 6OI8 | - | MQV | C23 H20 Cl N7 | c1cc(c(c(c.... |
31 | 2VPQ | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | S0H | 1.0000 |
2 | TB6 | 0.9940 |
3 | SAT | 0.9826 |
4 | MPD | 0.9819 |
5 | FCN | 0.9789 |
6 | POA | 0.9616 |
7 | 8X3 | 0.9594 |
8 | COM | 0.9590 |
9 | OPE | 0.9555 |
10 | 3HR | 0.9537 |
11 | CHT | 0.9531 |
12 | IVA | 0.9529 |
13 | POP | 0.9518 |
14 | PGA | 0.9511 |
15 | MLI | 0.9493 |
16 | TAU | 0.9480 |
17 | GG6 | 0.9463 |
18 | 2HE | 0.9451 |
19 | PPV | 0.9440 |
20 | MLA | 0.9439 |
21 | EFS | 0.9436 |
22 | P7I | 0.9427 |
23 | PIS | 0.9423 |
24 | ETM | 0.9392 |
25 | MLM | 0.9388 |
26 | 2PN | 0.9378 |
27 | 1DQ | 0.9377 |
28 | FLA | 0.9350 |
29 | LLQ | 0.9348 |
30 | 3PP | 0.9343 |
31 | HX2 | 0.9335 |
32 | XPO | 0.9335 |
33 | DMG | 0.9327 |
34 | 3HL | 0.9318 |
35 | ODV | 0.9316 |
36 | BTL | 0.9311 |
37 | A20 | 0.9307 |
38 | IPU | 0.9302 |
39 | C5J | 0.9292 |
40 | VX | 0.9285 |
41 | P2D | 0.9282 |
42 | AAE | 0.9281 |
43 | 1GP | 0.9264 |
44 | MDN | 0.9243 |
45 | BAE | 0.9232 |
46 | X1S | 0.9210 |
47 | VAL | 0.9199 |
48 | 9SB | 0.9191 |
49 | MLT | 0.9187 |
50 | THR | 0.9186 |
51 | MAE | 0.9185 |
52 | SIN | 0.9184 |
53 | 9X6 | 0.9183 |
54 | ASP | 0.9166 |
55 | FJO | 0.9158 |
56 | PRO | 0.9158 |
57 | KIV | 0.9147 |
58 | 2PC | 0.9142 |
59 | 4MV | 0.9133 |
60 | HYP | 0.9127 |
61 | ASN | 0.9120 |
62 | TFS | 0.9119 |
63 | MRY | 0.9106 |
64 | FUM | 0.9092 |
65 | PAF | 0.9090 |
66 | LEU | 0.9082 |
67 | PEP | 0.9075 |
68 | T2C | 0.9073 |
69 | DTL | 0.9071 |
70 | G2H | 0.9069 |
71 | 1Y8 | 0.9069 |
72 | PPF | 0.9063 |
73 | 98J | 0.9061 |
74 | G3H | 0.9059 |
75 | G3P | 0.9059 |
76 | HDA | 0.9057 |
77 | 2RH | 0.9055 |
78 | FW5 | 0.9053 |
79 | SRT | 0.9047 |
80 | ABU | 0.9037 |
81 | CIZ | 0.9032 |
82 | TFB | 0.9031 |
83 | LMR | 0.9025 |
84 | TZC | 0.9023 |
85 | NMG | 0.9021 |
86 | PYC | 0.9020 |
87 | THE | 0.9006 |
88 | SMV | 0.9006 |
89 | H95 | 0.9005 |
90 | 273 | 0.9004 |
91 | 3PY | 0.9004 |
92 | FOA | 0.9003 |
93 | PMB | 0.9002 |
94 | IHG | 0.8998 |
95 | SPV | 0.8995 |
96 | JBN | 0.8994 |
97 | DCL | 0.8993 |
98 | IQ0 | 0.8990 |
99 | HV2 | 0.8990 |
100 | TLA | 0.8987 |
101 | UY7 | 0.8986 |
102 | PRS | 0.8983 |
103 | DPR | 0.8981 |
104 | LEA | 0.8977 |
105 | SSN | 0.8975 |
106 | CRN | 0.8972 |
107 | 1SP | 0.8970 |
108 | HZP | 0.8966 |
109 | HIO | 0.8956 |
110 | TEO | 0.8953 |
111 | MAK | 0.8952 |
112 | AKB | 0.8948 |
113 | OAA | 0.8946 |
114 | TP5 | 0.8943 |
115 | ITN | 0.8941 |
116 | 1SA | 0.8940 |
117 | 13P | 0.8937 |
118 | GZ3 | 0.8935 |
119 | DMV | 0.8933 |
120 | COI | 0.8930 |
121 | HSE | 0.8926 |
122 | ILE | 0.8922 |
123 | LER | 0.8916 |
124 | ICF | 0.8915 |
125 | XBT | 0.8913 |
126 | PPR | 0.8911 |
127 | DSS | 0.8902 |
128 | ALO | 0.8897 |
129 | XYL | 0.8895 |
130 | RB5 | 0.8895 |
131 | 1AC | 0.8893 |
132 | FSG | 0.8890 |
133 | GLN | 0.8885 |
134 | 2KT | 0.8883 |
135 | DAS | 0.8879 |
136 | TAR | 0.8878 |
137 | O7U | 0.8874 |
138 | 0V5 | 0.8873 |
139 | PEQ | 0.8873 |
140 | IOM | 0.8860 |
141 | JYD | 0.8857 |
142 | SER | 0.8854 |
143 | 3SL | 0.8854 |
144 | 6PC | 0.8846 |
145 | ZBT | 0.8844 |
146 | TZL | 0.8844 |
147 | BAL | 0.8844 |
148 | 1DV | 0.8842 |
149 | 1DU | 0.8842 |
150 | C21 | 0.8841 |
151 | BUA | 0.8834 |
152 | MSF | 0.8826 |
153 | BU4 | 0.8824 |
154 | 2AS | 0.8814 |
155 | PBE | 0.8810 |
156 | JZ5 | 0.8809 |
157 | VAH | 0.8809 |
158 | RBL | 0.8804 |
159 | NXA | 0.8801 |
160 | PCA | 0.8793 |
161 | SGL | 0.8790 |
162 | GLY ALA | 0.8790 |
163 | 03W | 0.8787 |
164 | PUT | 0.8787 |
165 | YCP | 0.8787 |
166 | XLS | 0.8785 |
167 | XUL | 0.8780 |
168 | BMD | 0.8778 |
169 | ACH | 0.8777 |
170 | HSM | 0.8776 |
171 | DXX | 0.8773 |
172 | DAB | 0.8769 |
173 | NVA | 0.8768 |
174 | FB2 | 0.8764 |
175 | BVC | 0.8764 |
176 | GLU | 0.8762 |
177 | 9YL | 0.8759 |
178 | GP9 | 0.8753 |
179 | BEN | 0.8750 |
180 | 1CO | 0.8746 |
181 | SPA | 0.8744 |
182 | HCS | 0.8742 |
183 | AHB | 0.8735 |
184 | AC5 | 0.8735 |
185 | SAR | 0.8734 |
186 | 2MH | 0.8722 |
187 | 4JU | 0.8722 |
188 | MET | 0.8718 |
189 | J1Z | 0.8718 |
190 | CMS | 0.8717 |
191 | 3PG | 0.8716 |
192 | BXO | 0.8715 |
193 | URP | 0.8715 |
194 | MTG | 0.8711 |
195 | BAM | 0.8711 |
196 | ITU | 0.8710 |
197 | AKG | 0.8706 |
198 | 284 | 0.8705 |
199 | CSS | 0.8704 |
200 | M58 | 0.8703 |
201 | DE2 | 0.8700 |
202 | R67 | 0.8694 |
203 | 23W | 0.8694 |
204 | M6W | 0.8693 |
205 | 3V4 | 0.8676 |
206 | 265 | 0.8670 |
207 | JAB | 0.8668 |
208 | DGY | 0.8665 |
209 | SS2 | 0.8647 |
210 | FBJ | 0.8643 |
211 | IZC | 0.8642 |
212 | 7N0 | 0.8642 |
213 | ROR | 0.8639 |
214 | 2PG | 0.8638 |
215 | BUB | 0.8636 |
216 | 2CO | 0.8633 |
217 | UYA | 0.8631 |
218 | XAP | 0.8627 |
219 | ABN | 0.8626 |
220 | QSC | 0.8620 |
221 | ORN | 0.8619 |
222 | SNE | 0.8618 |
223 | GUA | 0.8609 |
224 | 39J | 0.8607 |
225 | 1SH | 0.8599 |
226 | 8K2 | 0.8597 |
227 | 3OH | 0.8590 |
228 | MEV | 0.8588 |
229 | BUQ | 0.8583 |
230 | SS1 | 0.8583 |
231 | I2M | 0.8579 |
232 | APY | 0.8563 |
233 | 54D | 0.8557 |
234 | AC0 | 0.8546 |
This union binding pocket(no: 1) in the query (biounit: 4rzq.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4rzq.bio1) has 37 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4rzq.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4rzq.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |