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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 24 families. | |||||
1 | 4FPE | - | 0H9 | C10 H15 N O4 S | COc1ccc(cc.... |
2 | 4FPH | - | 0V7 | C9 H12 F N O3 S | c1cc(cc(c1.... |
3 | 2JKB | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
4 | 4FPF | ic50 = 38.9 uM | JKK | C9 H12 Cl N O3 S | c1cc(cc(c1.... |
5 | 4FOQ | - | TAU | C2 H7 N O3 S | C(CS(=O)(=.... |
6 | 4FPC | - | MFY | C9 H12 Cl N O3 S | c1cc(ccc1C.... |
7 | 4FOY | - | D53 | C9 H13 N O3 S | c1ccc(cc1).... |
8 | 4FPL | - | 7HV | C9 H11 Cl2 N O3 S | c1cc(c(cc1.... |
9 | 4FOW | - | A20 | C3 H9 N O3 S | C(CN)CS(=O.... |
10 | 4FPJ | - | D8I | C10 H15 N O4 S | COc1cccc(c.... |
11 | 4FPK | ic50 = 57.4 uM | IJ1 | C10 H15 N O3 S | Cc1cccc(c1.... |
12 | 4FQ4 | - | IJ4 | C10 H14 F N O3 S | Cc1cc(ccc1.... |
13 | 4FPY | - | 0V8 | C9 H12 Br N O3 S | c1cc(cc(c1.... |
14 | 4FP2 | - | IJ6 | C9 H19 N O3 S | C1CCC(CC1).... |
15 | 2VW1 | Ki = 0.3 mM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 18 families. | |||||
1 | 2VK6 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
2 | 2JKB | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
3 | 4FPF | ic50 = 38.9 uM | JKK | C9 H12 Cl N O3 S | c1cc(cc(c1.... |
4 | 4FOQ | - | TAU | C2 H7 N O3 S | C(CS(=O)(=.... |
5 | 4FPC | - | MFY | C9 H12 Cl N O3 S | c1cc(ccc1C.... |
6 | 4FOY | - | D53 | C9 H13 N O3 S | c1ccc(cc1).... |
7 | 4FPL | - | 7HV | C9 H11 Cl2 N O3 S | c1cc(c(cc1.... |
8 | 4FOW | - | A20 | C3 H9 N O3 S | C(CN)CS(=O.... |
9 | 4FPJ | - | D8I | C10 H15 N O4 S | COc1cccc(c.... |
10 | 4FPK | ic50 = 57.4 uM | IJ1 | C10 H15 N O3 S | Cc1cccc(c1.... |
11 | 4FQ4 | - | IJ4 | C10 H14 F N O3 S | Cc1cc(ccc1.... |
12 | 4FPY | - | 0V8 | C9 H12 Br N O3 S | c1cc(cc(c1.... |
13 | 4X6K | ic50 = 0.00487 mM | 3XR | C8 H15 N2 O5 | CC(=O)N[C@.... |
14 | 4X47 | ic50 = 1.41 mM | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
15 | 4X4A | Ki = 2.37 mM | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
16 | 4YW5 | - | G39 | C14 H24 N2 O4 | CCC(CC)O[C.... |
17 | 4YW2 | Kd = 1.6 mM | GAL SIA | n/a | n/a |
18 | 5F9T | - | SFJ | C11 H17 F2 N O8 | CC(=O)N[C@.... |
19 | 4YW3 | - | DAN | C11 H17 N O8 | CC(=O)N[C@.... |
20 | 4YW1 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
21 | 4YZ4 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
22 | 4YZ5 | Kd = 1.48 mM | GLC GAL SIA | n/a | n/a |
23 | 4SLI | - | CNP | C14 H23 N O8 | CC(=O)N[C@.... |
24 | 3SLI | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
25 | 2SLI | - | SKD | C11 H17 N O8 | CC(=O)N[C@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | OPE | 1.0000 |
2 | PGA | 0.9828 |
3 | CHT | 0.9742 |
4 | P7I | 0.9672 |
5 | X1S | 0.9655 |
6 | 2HE | 0.9651 |
7 | ETM | 0.9585 |
8 | TB6 | 0.9527 |
9 | PAE | 0.9526 |
10 | SAT | 0.9512 |
11 | G3P | 0.9509 |
12 | 7VD | 0.9486 |
13 | LEA | 0.9472 |
14 | 1SH | 0.9472 |
15 | S0H | 0.9471 |
16 | ODV | 0.9457 |
17 | MPD | 0.9449 |
18 | EFS | 0.9442 |
19 | 3PP | 0.9421 |
20 | POA | 0.9414 |
21 | VX | 0.9413 |
22 | 1GP | 0.9411 |
23 | CP | 0.9367 |
24 | ABU | 0.9347 |
25 | SIN | 0.9342 |
26 | LLQ | 0.9336 |
27 | SSN | 0.9320 |
28 | HX2 | 0.9318 |
29 | PCT | 0.9307 |
30 | BAE | 0.9307 |
31 | H95 | 0.9306 |
32 | PAH | 0.9303 |
33 | FJO | 0.9289 |
34 | FUM | 0.9264 |
35 | XPO | 0.9230 |
36 | SPV | 0.9229 |
37 | IVA | 0.9227 |
38 | PEP | 0.9221 |
39 | 13P | 0.9221 |
40 | BUB | 0.9193 |
41 | BTL | 0.9188 |
42 | MLI | 0.9183 |
43 | MAE | 0.9175 |
44 | ORN | 0.9169 |
45 | 0V5 | 0.9164 |
46 | MLA | 0.9160 |
47 | 1SP | 0.9156 |
48 | MDN | 0.9149 |
49 | PPV | 0.9141 |
50 | PSE | 0.9138 |
51 | G3H | 0.9123 |
52 | A8C | 0.9121 |
53 | HSM | 0.9106 |
54 | POP | 0.9106 |
55 | PGH | 0.9102 |
56 | PPR | 0.9096 |
57 | ILE | 0.9091 |
58 | 3SL | 0.9088 |
59 | DSS | 0.9084 |
60 | HDA | 0.9078 |
61 | 3HL | 0.9076 |
62 | GP9 | 0.9070 |
63 | PLU | 0.9068 |
64 | 4MV | 0.9062 |
65 | BUA | 0.9057 |
66 | BMD | 0.9055 |
67 | GZ3 | 0.9051 |
68 | ACH | 0.9049 |
69 | 9X7 | 0.9045 |
70 | 9YL | 0.9044 |
71 | LTL | 0.9034 |
72 | 98J | 0.9031 |
73 | PIS | 0.9030 |
74 | 3OM | 0.9019 |
75 | GG6 | 0.9018 |
76 | DQY | 0.9018 |
77 | HTX | 0.9015 |
78 | DMG | 0.9014 |
79 | ITU | 0.9013 |
80 | 2PN | 0.9009 |
81 | LMR | 0.9006 |
82 | SGL | 0.9005 |
83 | IXW | 0.9005 |
84 | 1DU | 0.9005 |
85 | 2EH | 0.8999 |
86 | ASN | 0.8990 |
87 | 1DQ | 0.8989 |
88 | PEQ | 0.8988 |
89 | 6NA | 0.8987 |
90 | 1SA | 0.8985 |
91 | MET | 0.8984 |
92 | NVA | 0.8978 |
93 | PRO | 0.8977 |
94 | HSE | 0.8976 |
95 | HCS | 0.8975 |
96 | SHO | 0.8970 |
97 | CCD | 0.8969 |
98 | GPJ | 0.8966 |
99 | PUT | 0.8965 |
100 | 3HR | 0.8964 |
101 | AAE | 0.8964 |
102 | VKC | 0.8964 |
103 | BAL | 0.8960 |
104 | IPU | 0.8957 |
105 | ICF | 0.8955 |
106 | ASP | 0.8954 |
107 | LEU | 0.8953 |
108 | PMB | 0.8947 |
109 | CMS | 0.8944 |
110 | IHG | 0.8940 |
111 | TAR | 0.8935 |
112 | 1DV | 0.8930 |
113 | 2RH | 0.8928 |
114 | DAV | 0.8921 |
115 | CYX | 0.8918 |
116 | 4LR | 0.8917 |
117 | NMG | 0.8911 |
118 | 3SS | 0.8910 |
119 | MLT | 0.8909 |
120 | KVV | 0.8906 |
121 | MSF | 0.8905 |
122 | BU4 | 0.8898 |
123 | SHF | 0.8897 |
124 | IP8 | 0.8897 |
125 | 1KA | 0.8896 |
126 | SLP | 0.8892 |
127 | MED | 0.8882 |
128 | OAA | 0.8877 |
129 | CHH | 0.8867 |
130 | HE2 | 0.8862 |
131 | GLU | 0.8862 |
132 | HYP | 0.8858 |
133 | RTK | 0.8853 |
134 | O8Y | 0.8851 |
135 | GPF | 0.8848 |
136 | PE9 | 0.8845 |
137 | CSS | 0.8844 |
138 | BXO | 0.8842 |
139 | NM3 | 0.8840 |
140 | 8K2 | 0.8840 |
141 | GLN | 0.8839 |
142 | 9X6 | 0.8832 |
143 | P2D | 0.8829 |
144 | MTG | 0.8827 |
145 | NLE | 0.8814 |
146 | OKG | 0.8809 |
147 | MLM | 0.8808 |
148 | FB2 | 0.8806 |
149 | XUL | 0.8794 |
150 | DGL | 0.8791 |
151 | MZ0 | 0.8789 |
152 | 69O | 0.8787 |
153 | TEO | 0.8786 |
154 | PYC | 0.8786 |
155 | SRT | 0.8785 |
156 | GLY ALA | 0.8785 |
157 | AT3 | 0.8781 |
158 | GUA | 0.8781 |
159 | MPH | 0.8780 |
160 | 49F | 0.8779 |
161 | 9ON | 0.8770 |
162 | COI | 0.8768 |
163 | CRN | 0.8767 |
164 | CCE | 0.8766 |
165 | ETX | 0.8759 |
166 | SAR | 0.8758 |
167 | JYD | 0.8753 |
168 | 129 | 0.8750 |
169 | 2CO | 0.8749 |
170 | PG0 | 0.8746 |
171 | XAP | 0.8744 |
172 | 7WG | 0.8736 |
173 | AML | 0.8731 |
174 | GLY GLY | 0.8727 |
175 | MSE | 0.8725 |
176 | DTL | 0.8724 |
177 | OEG | 0.8716 |
178 | 273 | 0.8716 |
179 | 4HA | 0.8712 |
180 | DAB | 0.8710 |
181 | ONL | 0.8707 |
182 | FQI | 0.8705 |
183 | UGC | 0.8703 |
184 | DAS | 0.8696 |
185 | XLS | 0.8696 |
186 | 3S5 | 0.8682 |
187 | RBL | 0.8676 |
188 | AKG | 0.8676 |
189 | 0VT | 0.8671 |
190 | C21 | 0.8670 |
191 | AL0 | 0.8666 |
192 | XBT | 0.8660 |
193 | ZBT | 0.8658 |
194 | TZL | 0.8658 |
195 | ITN | 0.8656 |
196 | BHH | 0.8646 |
197 | HVQ | 0.8640 |
198 | CIZ | 0.8636 |
199 | IOM | 0.8633 |
200 | 5XA | 0.8624 |
201 | VAH | 0.8606 |
202 | XYL | 0.8605 |
203 | FW5 | 0.8605 |
204 | FBJ | 0.8597 |
205 | KVP | 0.8588 |
206 | G2H | 0.8584 |
207 | 0OC | 0.8577 |
208 | 40E | 0.8565 |
209 | 2FT | 0.8546 |
210 | CXF | 0.8541 |
211 | 152 | 0.8540 |
212 | JZ7 | 0.8540 |
213 | ROR | 0.8523 |
214 | A09 | 0.8519 |
215 | MD0 | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 2vw1.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |