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- Structure Biounit | Ligand Information
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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 6 families. | |||||
1 | 1BX4 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
2 | 2I6B | ic50 = 68 nM | 89I | C23 H24 N6 O | CN(C)c1ccc.... |
3 | 4O1L | ic50 = 0.2 uM | HO4 | C13 H14 N4 O4 | C#Cc1cn(c2.... |
4 | 2I6A | ic50 = 0.9 nM | 5I5 | C11 H13 I N4 O3 | C[C@@H]1[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 2AA0 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
2 | 2ABS | - | ACP | C11 H18 N5 O12 P3 | c1nc(c2c(n.... |
3 | 1DGM | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
4 | 1LIJ | - | RPP | C10 H14 I N5 O4 | c1nc(c2c(n.... |
5 | 1LII | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
6 | 2AB8 | - | MTP | C11 H14 N4 O4 S | CSc1c2c(nc.... |
7 | 1BX4 | - | ADN | C10 H13 N5 O4 | c1nc(c2c(n.... |
8 | 2I6B | ic50 = 68 nM | 89I | C23 H24 N6 O | CN(C)c1ccc.... |
9 | 4O1L | ic50 = 0.2 uM | HO4 | C13 H14 N4 O4 | C#Cc1cn(c2.... |
10 | 2I6A | ic50 = 0.9 nM | 5I5 | C11 H13 I N4 O3 | C[C@@H]1[C.... |
11 | 3LOO | Ki = 860 nM | B4P | C20 H28 N10 O19 P4 | c1nc(c2c(n.... |
12 | 3OTX | ic50 = 29.4 uM | AP5 | C20 H29 N10 O22 P5 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | HO4 | 1 | 1 |
2 | TO1 | 0.745763 | 0.9375 |
3 | EKH | 0.603175 | 0.909091 |
4 | 5ID | 0.603175 | 0.909091 |
5 | FTU | 0.59375 | 0.909091 |
6 | EKK | 0.59375 | 0.909091 |
7 | SGV | 0.567164 | 0.952381 |
8 | ADN | 0.434783 | 0.952381 |
9 | XYA | 0.434783 | 0.952381 |
10 | TBN | 0.434783 | 0.967742 |
11 | RAB | 0.434783 | 0.952381 |
12 | ZJB | 0.43038 | 0.84507 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | RPP | 0.9801 |
2 | 7CI | 0.9801 |
3 | 5I5 | 0.9694 |
4 | MG7 | 0.9510 |
5 | NOS | 0.9400 |
6 | GMP | 0.9331 |
7 | 5FD | 0.9300 |
8 | 1DA | 0.9282 |
9 | AD3 | 0.9279 |
10 | 5N5 | 0.9277 |
11 | 2FA | 0.9277 |
12 | A4D | 0.9259 |
13 | Z16 | 0.9252 |
14 | 5CD | 0.9248 |
15 | A | 0.9244 |
16 | NOC | 0.9230 |
17 | ARJ | 0.9220 |
18 | 5AD | 0.9202 |
19 | MTA | 0.9170 |
20 | PRH | 0.9169 |
21 | HPR | 0.9169 |
22 | MDR | 0.9160 |
23 | 3AD | 0.9157 |
24 | DBM | 0.9149 |
25 | Y3J | 0.9136 |
26 | 8OX | 0.9113 |
27 | UX0 | 0.9105 |
28 | 3DT | 0.9095 |
29 | Q9G | 0.9091 |
30 | MTP | 0.9090 |
31 | F01 | 0.9087 |
32 | 3D1 | 0.9083 |
33 | CFE | 0.9081 |
34 | GNG | 0.9080 |
35 | Z2T | 0.9077 |
36 | 4UO | 0.9070 |
37 | 5F1 | 0.9069 |
38 | AVX | 0.9068 |
39 | BBY | 0.9067 |
40 | ABJ | 0.9065 |
41 | 9DI | 0.9062 |
42 | 26A | 0.9061 |
43 | NWW | 0.9046 |
44 | XTS | 0.9036 |
45 | MZR | 0.9030 |
46 | AFX | 0.9028 |
47 | 5NB | 0.9025 |
48 | 6MD | 0.9024 |
49 | FMC | 0.9019 |
50 | 6PB | 0.9018 |
51 | LM7 | 0.9012 |
52 | IMH | 0.9012 |
53 | UA2 | 0.9010 |
54 | PUR | 0.9001 |
55 | 53X | 0.8998 |
56 | FMB | 0.8993 |
57 | 7GP | 0.8992 |
58 | 5E4 | 0.8988 |
59 | IMG | 0.8978 |
60 | 7VF | 0.8962 |
61 | Z15 | 0.8960 |
62 | GPQ | 0.8947 |
63 | GPU | 0.8947 |
64 | DXK | 0.8947 |
65 | 5UD | 0.8939 |
66 | 3BH | 0.8938 |
67 | DK4 | 0.8925 |
68 | AB3 | 0.8925 |
69 | CC5 | 0.8924 |
70 | THM | 0.8922 |
71 | D1M | 0.8921 |
72 | GPK | 0.8920 |
73 | B2L | 0.8918 |
74 | 6J3 | 0.8916 |
75 | CL9 | 0.8916 |
76 | TLF | 0.8900 |
77 | IMV | 0.8893 |
78 | Z57 | 0.8888 |
79 | CJZ | 0.8885 |
80 | 145 | 0.8874 |
81 | 13A | 0.8871 |
82 | 4P8 | 0.8870 |
83 | 3WO | 0.8869 |
84 | 3WN | 0.8869 |
85 | 64I | 0.8862 |
86 | 6GP | 0.8856 |
87 | RFZ | 0.8855 |
88 | 17C | 0.8849 |
89 | RUG | 0.8839 |
90 | RB1 | 0.8834 |
91 | ZYV | 0.8832 |
92 | IA2 | 0.8829 |
93 | TOP | 0.8829 |
94 | DCF | 0.8828 |
95 | ER6 | 0.8827 |
96 | IMQ | 0.8826 |
97 | CJB | 0.8824 |
98 | 5BT | 0.8822 |
99 | ID8 | 0.8818 |
100 | ZAS | 0.8817 |
101 | 5P7 | 0.8816 |
102 | 581 | 0.8815 |
103 | FLF | 0.8802 |
104 | 8HH | 0.8801 |
105 | 4K2 | 0.8800 |
106 | 7D7 | 0.8800 |
107 | MCY | 0.8797 |
108 | 4GP | 0.8793 |
109 | OX2 | 0.8786 |
110 | CTN | 0.8781 |
111 | AZC | 0.8780 |
112 | XIL | 0.8779 |
113 | B86 | 0.8774 |
114 | TGW | 0.8773 |
115 | 43S | 0.8772 |
116 | XYP XDN | 0.8769 |
117 | TMC | 0.8766 |
118 | 5MD | 0.8765 |
119 | 0DN | 0.8764 |
120 | ISX | 0.8757 |
121 | XYP AHR | 0.8756 |
122 | MCF | 0.8755 |
123 | L3L | 0.8746 |
124 | ID2 | 0.8741 |
125 | XZ8 | 0.8741 |
126 | 6GR | 0.8739 |
127 | CDY | 0.8738 |
128 | XDL XYP | 0.8736 |
129 | 43U | 0.8735 |
130 | XIF XYP | 0.8734 |
131 | 3DH | 0.8732 |
132 | SCT | 0.8732 |
133 | 7L4 | 0.8731 |
134 | GLC GAL | 0.8727 |
135 | 5V7 | 0.8727 |
136 | P9I | 0.8725 |
137 | XYP XYP | 0.8721 |
138 | XYP XIF | 0.8719 |
139 | BGC BGC | 0.8711 |
140 | 78P | 0.8711 |
141 | XYS XYP | 0.8709 |
142 | 8HG | 0.8708 |
143 | 1TD | 0.8707 |
144 | XDN XYP | 0.8702 |
145 | GLC BGC | 0.8697 |
146 | IMK | 0.8692 |
147 | CC6 | 0.8692 |
148 | EP4 | 0.8688 |
149 | C2M | 0.8687 |
150 | BVD | 0.8685 |
151 | NWQ | 0.8682 |
152 | NAR | 0.8682 |
153 | H7S | 0.8680 |
154 | 3WJ | 0.8677 |
155 | GA2 | 0.8675 |
156 | BIE | 0.8670 |
157 | AV4 | 0.8642 |
158 | 3RP | 0.8640 |
159 | VCE | 0.8633 |
160 | YM6 | 0.8628 |
161 | ACK | 0.8627 |
162 | BQ5 | 0.8620 |
163 | EXX | 0.8612 |
164 | PP2 | 0.8611 |
165 | NEC | 0.8610 |
166 | 6KP | 0.8608 |
167 | XYS XYS | 0.8607 |
168 | QZ8 | 0.8607 |
169 | Z8B | 0.8606 |
170 | BGC OXZ | 0.8602 |
171 | KF5 | 0.8598 |
172 | IFM BGC | 0.8595 |
173 | X29 | 0.8594 |
174 | 0GA | 0.8594 |
175 | PNX | 0.8592 |
176 | PP1 | 0.8588 |
177 | A4V | 0.8584 |
178 | P2L | 0.8580 |
179 | XEV | 0.8573 |
180 | RVC | 0.8558 |
181 | CIW | 0.8552 |
182 | I0D | 0.8541 |
183 | 2LT | 0.8540 |
184 | 6DE | 0.8530 |
185 | 5AE | 0.8525 |
186 | Q2R | 0.8522 |
187 | DBS | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 2i6a.bio3) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2i6a.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2i6a.bio4) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2i6a.bio2) has 20 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |