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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 8 families. | |||||
1 | 2KI5 | - | AC2 | C8 H11 N5 O3 | c1nc2c(n1C.... |
2 | 1KI7 | - | ID2 | C9 H11 I N2 O5 | C1[C@@H]([.... |
3 | 1KIM | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
4 | 1E2N | Ki = 30.9 uM | RCA | C12 H16 N4 O5 | CC1=C(NC(=.... |
5 | 1QHI | - | BPG | C15 H17 N5 O2 | c1ccc(cc1).... |
6 | 1KI2 | - | GA2 | C9 H13 N5 O4 | c1nc2c(n1C.... |
7 | 1E2P | Ki = 27 uM | CCV | C9 H14 N2 O4 | CC1=C(NC(=.... |
8 | 1E2I | - | ARP | C8 H11 N5 O | C[C@H](Cn1.... |
9 | 1KI4 | - | BTD | C13 H13 Br N2 O5 S | c1cc(sc1C2.... |
10 | 1P7C | - | T5A | C20 H30 N7 O23 P5 | CC1=CN(C(=.... |
11 | 1E2M | - | HPT | C8 H12 N2 O3 | CC1=C(NC(=.... |
12 | 1OF1 | ic50 = 15 uM | SCT | C12 H16 N2 O4 | CC1=CN(C(=.... |
13 | 1E2L | Ki = 51.5 uM | TMC | C12 H16 N2 O4 | CC1=CN(C(=.... |
14 | 1KI3 | - | PE2 | C10 H15 N5 O3 | c1nc2c(n1C.... |
15 | 1E2K | Ki = 11.4 uM | TMC | C12 H16 N2 O4 | CC1=CN(C(=.... |
16 | 1KI8 | - | BVD | C11 H13 Br N2 O5 | C1[C@@H]([.... |
17 | 1E2J | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
18 | 3F0T | - | NCV | C10 H16 N2 O4 | CC1=C(N(C(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2KI5 | - | AC2 | C8 H11 N5 O3 | c1nc2c(n1C.... |
2 | 1KI7 | - | ID2 | C9 H11 I N2 O5 | C1[C@@H]([.... |
3 | 1KIM | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
4 | 1E2N | Ki = 30.9 uM | RCA | C12 H16 N4 O5 | CC1=C(NC(=.... |
5 | 1QHI | - | BPG | C15 H17 N5 O2 | c1ccc(cc1).... |
6 | 1KI2 | - | GA2 | C9 H13 N5 O4 | c1nc2c(n1C.... |
7 | 1E2P | Ki = 27 uM | CCV | C9 H14 N2 O4 | CC1=C(NC(=.... |
8 | 1E2I | - | ARP | C8 H11 N5 O | C[C@H](Cn1.... |
9 | 1KI4 | - | BTD | C13 H13 Br N2 O5 S | c1cc(sc1C2.... |
10 | 1P7C | - | T5A | C20 H30 N7 O23 P5 | CC1=CN(C(=.... |
11 | 1E2M | - | HPT | C8 H12 N2 O3 | CC1=C(NC(=.... |
12 | 1OF1 | ic50 = 15 uM | SCT | C12 H16 N2 O4 | CC1=CN(C(=.... |
13 | 1E2L | Ki = 51.5 uM | TMC | C12 H16 N2 O4 | CC1=CN(C(=.... |
14 | 1KI3 | - | PE2 | C10 H15 N5 O3 | c1nc2c(n1C.... |
15 | 1E2K | Ki = 11.4 uM | TMC | C12 H16 N2 O4 | CC1=CN(C(=.... |
16 | 1KI8 | - | BVD | C11 H13 Br N2 O5 | C1[C@@H]([.... |
17 | 1E2J | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
18 | 3F0T | - | NCV | C10 H16 N2 O4 | CC1=C(N(C(.... |
19 | 1P6X | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
20 | 1P72 | - | THM | C10 H14 N2 O5 | CC1=CN(C(=.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NCV | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CCV | 0.9556 |
2 | CLU | 0.9235 |
3 | BY5 | 0.9219 |
4 | TRP | 0.9194 |
5 | CMU | 0.9189 |
6 | 9KH | 0.9189 |
7 | S3C | 0.9163 |
8 | XFE | 0.9160 |
9 | B4O | 0.9151 |
10 | 57O | 0.9093 |
11 | ALN | 0.9090 |
12 | M3Q | 0.9084 |
13 | MUR | 0.9082 |
14 | IBC | 0.9077 |
15 | ZME | 0.9072 |
16 | EXL | 0.9070 |
17 | 3B4 | 0.9070 |
18 | CPW | 0.9069 |
19 | 3Y7 | 0.9059 |
20 | AM1 | 0.9058 |
21 | IPD | 0.9058 |
22 | IBM | 0.9057 |
23 | LIP | 0.9029 |
24 | DTR | 0.9017 |
25 | HPT | 0.8998 |
26 | CGW | 0.8998 |
27 | LAO | 0.8984 |
28 | L21 | 0.8982 |
29 | 3DT | 0.8977 |
30 | KED | 0.8977 |
31 | 3LJ | 0.8974 |
32 | EXR | 0.8973 |
33 | QMS | 0.8967 |
34 | I4D | 0.8966 |
35 | 0XT | 0.8962 |
36 | 5JT | 0.8956 |
37 | GL6 | 0.8955 |
38 | 6DP | 0.8954 |
39 | G6P | 0.8952 |
40 | AIN | 0.8950 |
41 | 790 | 0.8948 |
42 | 5OF | 0.8945 |
43 | OUB | 0.8944 |
44 | S7B | 0.8936 |
45 | 64C | 0.8934 |
46 | 505 | 0.8920 |
47 | PVQ | 0.8916 |
48 | 6J9 | 0.8914 |
49 | NVU | 0.8911 |
50 | DBS | 0.8903 |
51 | 54X | 0.8902 |
52 | 5E4 | 0.8900 |
53 | 9UL | 0.8897 |
54 | PVK | 0.8897 |
55 | 2LT | 0.8896 |
56 | 2KU | 0.8894 |
57 | T6Z | 0.8892 |
58 | MQB | 0.8886 |
59 | G1P | 0.8885 |
60 | C9E | 0.8883 |
61 | BPY | 0.8875 |
62 | CTE | 0.8875 |
63 | TRF | 0.8874 |
64 | ACE TRP | 0.8873 |
65 | FWD | 0.8873 |
66 | MXD | 0.8873 |
67 | X0T | 0.8870 |
68 | 4OG | 0.8863 |
69 | 1QP | 0.8858 |
70 | A1Y | 0.8857 |
71 | BG6 | 0.8854 |
72 | 5MD | 0.8849 |
73 | TNX | 0.8848 |
74 | TLF | 0.8847 |
75 | NIY | 0.8845 |
76 | NLA | 0.8843 |
77 | LTN | 0.8838 |
78 | ZON | 0.8835 |
79 | 9GP | 0.8835 |
80 | F5C | 0.8834 |
81 | A4G | 0.8834 |
82 | 1VQ | 0.8830 |
83 | C0W | 0.8830 |
84 | IOS | 0.8829 |
85 | RVE | 0.8829 |
86 | NAG | 0.8826 |
87 | W8G | 0.8824 |
88 | 512 | 0.8813 |
89 | M02 | 0.8812 |
90 | MCY | 0.8802 |
91 | XQI | 0.8801 |
92 | ZYV | 0.8800 |
93 | ITW | 0.8800 |
94 | JR2 | 0.8799 |
95 | A3Q | 0.8799 |
96 | 6J3 | 0.8791 |
97 | PLP | 0.8791 |
98 | YO5 | 0.8790 |
99 | 6HP | 0.8790 |
100 | YTX | 0.8788 |
101 | O2Y | 0.8787 |
102 | L5E | 0.8786 |
103 | DBQ | 0.8783 |
104 | 9B3 | 0.8783 |
105 | OX2 | 0.8776 |
106 | X04 | 0.8774 |
107 | 0DN | 0.8772 |
108 | NDG | 0.8772 |
109 | ZIQ | 0.8770 |
110 | KFN | 0.8770 |
111 | F34 | 0.8768 |
112 | 7I2 | 0.8763 |
113 | ETV | 0.8762 |
114 | Q5M | 0.8757 |
115 | DAH | 0.8746 |
116 | BZE | 0.8746 |
117 | 22L | 0.8745 |
118 | YOF | 0.8744 |
119 | DTE | 0.8743 |
120 | THM | 0.8741 |
121 | 3IL | 0.8741 |
122 | AY4 | 0.8737 |
123 | NPA | 0.8737 |
124 | 3TC | 0.8734 |
125 | QZ8 | 0.8732 |
126 | CWD | 0.8728 |
127 | BQ5 | 0.8727 |
128 | ARP | 0.8725 |
129 | ELH | 0.8724 |
130 | 6ZW | 0.8721 |
131 | N3W | 0.8716 |
132 | SY4 | 0.8715 |
133 | WOE | 0.8714 |
134 | JP2 | 0.8713 |
135 | KYN | 0.8713 |
136 | LTT | 0.8711 |
137 | 3D1 | 0.8710 |
138 | BWD | 0.8709 |
139 | 96Z | 0.8703 |
140 | AC2 | 0.8702 |
141 | 55D | 0.8697 |
142 | MDR | 0.8696 |
143 | NBG | 0.8695 |
144 | PLR | 0.8692 |
145 | PRZ | 0.8691 |
146 | OSB | 0.8690 |
147 | STT | 0.8688 |
148 | DUR | 0.8684 |
149 | CG8 | 0.8683 |
150 | 2VQ | 0.8681 |
151 | MQG | 0.8679 |
152 | H7S | 0.8677 |
153 | LLT | 0.8674 |
154 | TOH | 0.8672 |
155 | W29 | 0.8671 |
156 | CE2 | 0.8670 |
157 | 2UD | 0.8670 |
158 | PXP | 0.8668 |
159 | I59 | 0.8667 |
160 | TSR | 0.8664 |
161 | M5H | 0.8662 |
162 | 67Y | 0.8662 |
163 | 2JK | 0.8653 |
164 | IPT | 0.8650 |
165 | AH9 | 0.8647 |
166 | NWD | 0.8645 |
167 | PMP | 0.8643 |
168 | 2LX | 0.8638 |
169 | 6PB | 0.8637 |
170 | UFO | 0.8634 |
171 | EYA | 0.8628 |
172 | APS | 0.8626 |
173 | X1P | 0.8626 |
174 | BZM | 0.8625 |
175 | CSN | 0.8624 |
176 | DDU | 0.8619 |
177 | P9I | 0.8619 |
178 | M1Z | 0.8618 |
179 | GA2 | 0.8616 |
180 | 56N | 0.8616 |
181 | AJD | 0.8615 |
182 | DCZ | 0.8613 |
183 | 8DA | 0.8612 |
184 | UQ1 | 0.8611 |
185 | IYR | 0.8610 |
186 | LDC | 0.8610 |
187 | IWD | 0.8608 |
188 | M3E | 0.8608 |
189 | AKD | 0.8608 |
190 | DE3 | 0.8607 |
191 | L22 | 0.8606 |
192 | VXX | 0.8605 |
193 | KF5 | 0.8604 |
194 | 8G6 | 0.8603 |
195 | JTH | 0.8601 |
196 | FSU | 0.8601 |
197 | SBK | 0.8600 |
198 | FF2 | 0.8596 |
199 | K68 | 0.8593 |
200 | DEW | 0.8592 |
201 | 61M | 0.8589 |
202 | LAH | 0.8589 |
203 | 8U3 | 0.8588 |
204 | C0H | 0.8583 |
205 | GRX | 0.8581 |
206 | U1K | 0.8577 |
207 | TOM | 0.8576 |
208 | 2CZ | 0.8573 |
209 | B2T | 0.8573 |
210 | DNA | 0.8571 |
211 | 25O | 0.8570 |
212 | 1A7 | 0.8570 |
213 | KTW | 0.8566 |
214 | 2K8 | 0.8565 |
215 | MW5 | 0.8563 |
216 | GF4 | 0.8562 |
217 | GMP | 0.8550 |
218 | 1VK | 0.8550 |
219 | GLP | 0.8549 |
220 | HBI | 0.8545 |
221 | CH9 | 0.8534 |
222 | 8NX | 0.8520 |
223 | GFP | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 1e2k.bio1) has 39 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1e2k.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |