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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 39 families. | |||||
1 | 2IME | Kd = 19 uM | 2C2 | C10 H8 O4 | c1ccc2c(c1.... |
2 | 2IMD | Kd = 19 uM | 2C2 | C10 H8 O4 | c1ccc2c(c1.... |
3 | 2IMF | Kd = 14 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 2IME | Kd = 19 uM | 2C2 | C10 H8 O4 | c1ccc2c(c1.... |
2 | 2IMD | Kd = 19 uM | 2C2 | C10 H8 O4 | c1ccc2c(c1.... |
3 | 2IMF | Kd = 14 uM | GSH | C10 H17 N3 O6 S | C(CC(=O)N[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GSH | 1 | 1 |
2 | HCG | 0.75 | 0.973684 |
3 | HGS | 0.730769 | 0.925 |
4 | GSM | 0.690909 | 0.878049 |
5 | GDS | 0.672727 | 0.837209 |
6 | GS8 | 0.672727 | 0.840909 |
7 | GTS | 0.672727 | 0.660714 |
8 | GSF | 0.660714 | 0.72549 |
9 | AHE | 0.649123 | 0.9 |
10 | 3GC | 0.645833 | 0.918919 |
11 | HGD | 0.637931 | 0.837209 |
12 | GCG | 0.6 | 0.860465 |
13 | KGT | 0.592593 | 0.923077 |
14 | TGG | 0.587302 | 0.9 |
15 | BWS | 0.581818 | 0.871795 |
16 | TS5 | 0.573529 | 0.880952 |
17 | 0HH | 0.528571 | 0.782609 |
18 | GSB | 0.528571 | 0.878049 |
19 | KSN | 0.528302 | 0.789474 |
20 | GSO | 0.521127 | 0.857143 |
21 | BOB | 0.493506 | 0.75 |
22 | GTB | 0.493333 | 0.631579 |
23 | P9H | 0.486842 | 0.857143 |
24 | GBI | 0.486842 | 0.782609 |
25 | 48T | 0.481013 | 0.8 |
26 | L9X | 0.480519 | 0.62069 |
27 | GTD | 0.480519 | 0.6 |
28 | ESG | 0.480519 | 0.62069 |
29 | 1R4 | 0.474359 | 0.62069 |
30 | GIP | 0.474359 | 0.6 |
31 | GPS | 0.468354 | 0.72 |
32 | GPR | 0.468354 | 0.72 |
33 | GBP | 0.468354 | 0.6 |
34 | GAZ | 0.457831 | 0.679245 |
35 | GVX | 0.45679 | 0.8 |
36 | HFV | 0.447761 | 0.8 |
37 | ASV | 0.446154 | 0.9 |
38 | GNB | 0.445783 | 0.6 |
39 | W05 | 0.444444 | 0.923077 |
40 | VB1 | 0.444444 | 0.9 |
41 | LZ6 | 0.436782 | 0.692308 |
42 | ACV | 0.430769 | 0.878049 |
43 | BCV | 0.424242 | 0.9 |
44 | CDH | 0.424242 | 0.818182 |
45 | 2G2 | 0.42029 | 0.615385 |
46 | HGA | 0.42 | 0.622222 |
47 | M8F | 0.411765 | 0.837209 |
48 | MEQ | 0.411765 | 0.658537 |
49 | TS4 | 0.410256 | 0.804348 |
50 | M9F | 0.405797 | 0.837209 |
51 | KKA | 0.4 | 0.894737 |
52 | M2W | 0.4 | 0.8 |
53 | ACW | 0.4 | 0.8 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GSN | 0.9495 |
2 | MP2 | 0.9045 |
3 | ALA ALA ALA ALA | 0.8738 |
4 | GGL CYW GLY | 0.8570 |
5 | DN8 | 0.8566 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | TB8 | 0.9437 |
2 | 6J5 | 0.9424 |
3 | 3D8 | 0.9242 |
4 | TRP | 0.9231 |
5 | 9W5 | 0.9203 |
6 | KYN | 0.9196 |
7 | FPL | 0.9179 |
8 | NFK | 0.9178 |
9 | C0H | 0.9177 |
10 | P7Y | 0.9156 |
11 | QUS | 0.9148 |
12 | MJW | 0.9148 |
13 | GZV | 0.9136 |
14 | G6P | 0.9122 |
15 | AJD | 0.9116 |
16 | A7K | 0.9112 |
17 | FUZ | 0.9112 |
18 | 2LX | 0.9111 |
19 | 7ZL | 0.9108 |
20 | FNA | 0.9102 |
21 | GXD | 0.9101 |
22 | CH8 | 0.9092 |
23 | MBP | 0.9089 |
24 | MJ5 | 0.9084 |
25 | SLY | 0.9082 |
26 | 4OG | 0.9082 |
27 | 0QW | 0.9053 |
28 | EQA | 0.9042 |
29 | YE6 | 0.9035 |
30 | F06 | 0.9028 |
31 | GXG | 0.9025 |
32 | PLP | 0.9024 |
33 | XQI | 0.9015 |
34 | B23 | 0.9013 |
35 | AMR | 0.9011 |
36 | FWD | 0.9006 |
37 | OSB | 0.8998 |
38 | 0FR | 0.8997 |
39 | 2J5 | 0.8992 |
40 | IOP | 0.8992 |
41 | 61M | 0.8988 |
42 | TZM | 0.8988 |
43 | O2Y | 0.8986 |
44 | CLU | 0.8981 |
45 | PMP | 0.8976 |
46 | 3SU | 0.8975 |
47 | XI7 | 0.8975 |
48 | ZZ2 | 0.8972 |
49 | WL3 | 0.8972 |
50 | AYS | 0.8972 |
51 | 9F8 | 0.8969 |
52 | 3IP | 0.8969 |
53 | HJH | 0.8964 |
54 | EXG | 0.8961 |
55 | HFA | 0.8960 |
56 | PHE | 0.8957 |
57 | AKD | 0.8957 |
58 | HWD | 0.8956 |
59 | E9S | 0.8955 |
60 | PXP | 0.8954 |
61 | 3B4 | 0.8951 |
62 | IBC | 0.8942 |
63 | 2UD | 0.8938 |
64 | PPY | 0.8938 |
65 | 2KU | 0.8934 |
66 | L21 | 0.8927 |
67 | CWD | 0.8924 |
68 | 9E3 | 0.8921 |
69 | A6H | 0.8917 |
70 | 6J9 | 0.8912 |
71 | ALN | 0.8908 |
72 | DTR | 0.8906 |
73 | NPL | 0.8902 |
74 | BWD | 0.8899 |
75 | PLR | 0.8898 |
76 | 2VQ | 0.8896 |
77 | 4Z1 | 0.8896 |
78 | 5WM | 0.8891 |
79 | DAH | 0.8891 |
80 | 12R | 0.8888 |
81 | ZIP | 0.8885 |
82 | LTN | 0.8884 |
83 | A4V | 0.8880 |
84 | IWD | 0.8878 |
85 | D1Y | 0.8876 |
86 | 9BF | 0.8874 |
87 | MP5 | 0.8873 |
88 | 4Z9 | 0.8864 |
89 | MD6 | 0.8864 |
90 | 2HC | 0.8864 |
91 | 5E4 | 0.8864 |
92 | C53 | 0.8861 |
93 | 3IB | 0.8860 |
94 | 6Q3 | 0.8856 |
95 | HHV | 0.8856 |
96 | CFA | 0.8856 |
97 | BGP | 0.8850 |
98 | HO6 | 0.8847 |
99 | 1VQ | 0.8846 |
100 | SBK | 0.8842 |
101 | TZP | 0.8841 |
102 | F5C | 0.8838 |
103 | BRH | 0.8826 |
104 | BHS | 0.8825 |
105 | TH4 | 0.8824 |
106 | X2M | 0.8817 |
107 | D6G | 0.8815 |
108 | PYU | 0.8813 |
109 | 7QY | 0.8813 |
110 | 5WN | 0.8811 |
111 | M5H | 0.8808 |
112 | ABF | 0.8802 |
113 | M74 | 0.8801 |
114 | FTV | 0.8801 |
115 | M3Q | 0.8797 |
116 | 0XR | 0.8793 |
117 | 3IL | 0.8792 |
118 | Q5M | 0.8792 |
119 | LL2 | 0.8791 |
120 | XRS | 0.8788 |
121 | ENG | 0.8783 |
122 | AMQ | 0.8778 |
123 | S2P | 0.8773 |
124 | 96Z | 0.8771 |
125 | CCV | 0.8770 |
126 | TCC | 0.8770 |
127 | LVD | 0.8769 |
128 | TYR | 0.8769 |
129 | HSX | 0.8768 |
130 | RP5 | 0.8767 |
131 | ZIQ | 0.8763 |
132 | EXL | 0.8759 |
133 | HNL | 0.8757 |
134 | QMS | 0.8756 |
135 | Z70 | 0.8754 |
136 | HNK | 0.8751 |
137 | IM4 | 0.8751 |
138 | SHI | 0.8751 |
139 | ITW | 0.8750 |
140 | 5ER | 0.8747 |
141 | 78U | 0.8747 |
142 | P0P | 0.8746 |
143 | RVE | 0.8745 |
144 | 8OB | 0.8743 |
145 | 3LJ | 0.8737 |
146 | GT1 | 0.8735 |
147 | M6D | 0.8732 |
148 | 6DP | 0.8728 |
149 | ZON | 0.8727 |
150 | OMD | 0.8722 |
151 | N9J | 0.8722 |
152 | 5TO | 0.8719 |
153 | 67Y | 0.8718 |
154 | NFA | 0.8710 |
155 | 4WF | 0.8708 |
156 | 4R1 | 0.8707 |
157 | BG6 | 0.8706 |
158 | 3CR | 0.8705 |
159 | GLP | 0.8701 |
160 | I59 | 0.8699 |
161 | CMU | 0.8698 |
162 | AEY | 0.8693 |
163 | S3C | 0.8689 |
164 | 3M8 | 0.8684 |
165 | 2GA | 0.8684 |
166 | SB7 | 0.8682 |
167 | SYE | 0.8680 |
168 | ZEZ | 0.8679 |
169 | GLR | 0.8676 |
170 | DTY | 0.8676 |
171 | 1BN | 0.8676 |
172 | ONZ | 0.8674 |
173 | A6P | 0.8673 |
174 | E9P | 0.8672 |
175 | AM1 | 0.8671 |
176 | IOS | 0.8667 |
177 | F52 | 0.8665 |
178 | 8OE | 0.8661 |
179 | TSR | 0.8659 |
180 | X04 | 0.8658 |
181 | PRZ | 0.8652 |
182 | CPW | 0.8647 |
183 | BDJ | 0.8637 |
184 | GNW | 0.8633 |
185 | 56D | 0.8630 |
186 | YOF | 0.8627 |
187 | 3G1 | 0.8623 |
188 | M1P | 0.8617 |
189 | DI6 | 0.8613 |
190 | ZYC | 0.8605 |
191 | I2E | 0.8604 |
192 | 7MX | 0.8599 |
193 | C9E | 0.8597 |
194 | OJD | 0.8596 |
195 | IYR | 0.8594 |
196 | MPP | 0.8590 |
197 | M02 | 0.8588 |
198 | B5A | 0.8588 |
199 | KDG | 0.8585 |
200 | C6Z | 0.8583 |
201 | NCV | 0.8576 |
202 | J47 | 0.8558 |
203 | HPT | 0.8530 |
204 | RE4 | 0.8522 |
205 | GC3 | 0.8520 |
206 | IQU | 0.8519 |
207 | TYC | 0.8512 |
208 | TYE | 0.8512 |
This union binding pocket(no: 1) in the query (biounit: 2imf.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2imf.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2imf.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 2imf.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |