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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 | 5YE8 | ic50 ~ 1 mM | 8U3 | C7 H7 F2 N O2 S | CS(=O)(=O).... |
2 | 5JAH | - | 6HQ | C6 H10 N2 O2 | CC1(C(=O)N.... |
3 | 5JAP | ic50 = 0.23 uM | 6HZ | C19 H19 N O | Cc1ccccc1c.... |
4 | 5LZ4 | Kd = 2 uM | 7BW | C15 H17 F N2 O2 | CC1(CC(=O).... |
5 | 5JAL | Kd = 980 uM | 6HO | C11 H10 F N O | c1cc(cc(c1.... |
6 | 5YE9 | ic50 = 355 nM | 8U6 | C25 H19 N3 O4 S | CC(=O)Nc1c.... |
7 | 5JAN | - | 6HP | C10 H16 N2 O3 | CC(C)COC1=.... |
8 | 5JAS | ic50 = 1.7 uM | 6HW | C17 H16 N2 S | Cc1ccccc1c.... |
9 | 5LZ9 | ic50 = 0.12 uM | 7BR | C19 H23 F N2 O4 S | CC1(CCS(=O.... |
10 | 5LZ2 | ic50 ~ 1 mM | 7BX | C10 H10 N2 O2 S | c1cc(cc(c1.... |
11 | 5YE7 | ic50 = 3431 nM | 8U0 | C24 H20 N2 O4 S | CC(=O)Nc1c.... |
12 | 5JAT | ic50 = 0.23 uM | 6HR | C20 H22 N2 O S | Cc1ccccc1c.... |
13 | 5LZ8 | ic50 = 0.98 uM | 7BP | C17 H21 F N2 O2 | CC(C)(C)[C.... |
14 | 5JAU | ic50 = 0.0014 uM | 6HU | C23 H30 N4 O3 | Cc1ccccc1c.... |
15 | 5LZ7 | Kd = 0.53 uM | 7BK | C20 H19 F N2 O2 | C[C@@]1(CC.... |
16 | 5YEA | ic50 = 5 nM | 8U9 | C21 H12 Cl F3 N2 O5 S | c1cc(ccc1C.... |
17 | 5LYY | ic50 = 14 uM | 7BJ | C16 H19 F N2 O3 | c1cc(ccc1O.... |
18 | 5LP1 | ic50 = 0.398 nM | 71H | C35 H38 F4 N4 O2 S | CCN(CC)CCN.... |
19 | 5JAR | ic50 = 2 uM | 6HV | C18 H15 N O S | Cc1ccccc1c.... |
20 | 5LZ5 | Kd = 0.45 uM | 7K4 | C20 H19 F N2 O2 | C[C@]1(CC(.... |
21 | 5I8P | Kd = 0.000000064 M | VQ7 | C23 H19 Cl F5 N3 O5 S | CN1C(=CC(=.... |
22 | 5JAD | Kd = 3.4 mM | FB2 | C6 H7 N O2 S | c1ccc(cc1).... |
23 | 5JAO | - | 6HX | C13 H12 Cl N | Cc1ccc(cc1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 5YE8 | ic50 ~ 1 mM | 8U3 | C7 H7 F2 N O2 S | CS(=O)(=O).... |
2 | 5JAH | - | 6HQ | C6 H10 N2 O2 | CC1(C(=O)N.... |
3 | 5JAP | ic50 = 0.23 uM | 6HZ | C19 H19 N O | Cc1ccccc1c.... |
4 | 5LZ4 | Kd = 2 uM | 7BW | C15 H17 F N2 O2 | CC1(CC(=O).... |
5 | 5JAL | Kd = 980 uM | 6HO | C11 H10 F N O | c1cc(cc(c1.... |
6 | 5YE9 | ic50 = 355 nM | 8U6 | C25 H19 N3 O4 S | CC(=O)Nc1c.... |
7 | 5JAN | - | 6HP | C10 H16 N2 O3 | CC(C)COC1=.... |
8 | 5JAS | ic50 = 1.7 uM | 6HW | C17 H16 N2 S | Cc1ccccc1c.... |
9 | 5LZ9 | ic50 = 0.12 uM | 7BR | C19 H23 F N2 O4 S | CC1(CCS(=O.... |
10 | 5LZ2 | ic50 ~ 1 mM | 7BX | C10 H10 N2 O2 S | c1cc(cc(c1.... |
11 | 5YE7 | ic50 = 3431 nM | 8U0 | C24 H20 N2 O4 S | CC(=O)Nc1c.... |
12 | 5JAT | ic50 = 0.23 uM | 6HR | C20 H22 N2 O S | Cc1ccccc1c.... |
13 | 5LZ8 | ic50 = 0.98 uM | 7BP | C17 H21 F N2 O2 | CC(C)(C)[C.... |
14 | 5JAU | ic50 = 0.0014 uM | 6HU | C23 H30 N4 O3 | Cc1ccccc1c.... |
15 | 5LZ7 | Kd = 0.53 uM | 7BK | C20 H19 F N2 O2 | C[C@@]1(CC.... |
16 | 5YEA | ic50 = 5 nM | 8U9 | C21 H12 Cl F3 N2 O5 S | c1cc(ccc1C.... |
17 | 5LYY | ic50 = 14 uM | 7BJ | C16 H19 F N2 O3 | c1cc(ccc1O.... |
18 | 5LP1 | ic50 = 0.398 nM | 71H | C35 H38 F4 N4 O2 S | CCN(CC)CCN.... |
19 | 5JAR | ic50 = 2 uM | 6HV | C18 H15 N O S | Cc1ccccc1c.... |
20 | 5LZ5 | Kd = 0.45 uM | 7K4 | C20 H19 F N2 O2 | C[C@]1(CC(.... |
21 | 5I8P | Kd = 0.000000064 M | VQ7 | C23 H19 Cl F5 N3 O5 S | CN1C(=CC(=.... |
22 | 5JAD | Kd = 3.4 mM | FB2 | C6 H7 N O2 S | c1ccc(cc1).... |
23 | 5JAO | - | 6HX | C13 H12 Cl N | Cc1ccc(cc1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 6HX | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BP3 | 0.9491 |
2 | BPY | 0.9409 |
3 | B2Y | 0.9405 |
4 | 977 | 0.9389 |
5 | JRB | 0.9380 |
6 | TI7 | 0.9371 |
7 | XDK | 0.9362 |
8 | SV4 | 0.9353 |
9 | TT4 | 0.9340 |
10 | AUV | 0.9338 |
11 | S2T | 0.9328 |
12 | L13 | 0.9311 |
13 | W29 | 0.9297 |
14 | BP6 | 0.9295 |
15 | WOE | 0.9279 |
16 | 0QW | 0.9265 |
17 | 89J | 0.9260 |
18 | 6J9 | 0.9252 |
19 | B2T | 0.9239 |
20 | 1WC | 0.9232 |
21 | DC5 | 0.9231 |
22 | X6P | 0.9230 |
23 | S0G | 0.9224 |
24 | B4O | 0.9210 |
25 | 46P | 0.9202 |
26 | M5E | 0.9192 |
27 | 49O | 0.9182 |
28 | OBP | 0.9173 |
29 | EAJ | 0.9164 |
30 | K80 | 0.9152 |
31 | HNL | 0.9148 |
32 | 2JM | 0.9145 |
33 | AVA | 0.9138 |
34 | MIL | 0.9135 |
35 | X48 | 0.9135 |
36 | T2D | 0.9124 |
37 | 2GD | 0.9111 |
38 | WVV | 0.9103 |
39 | A4T | 0.9101 |
40 | F16 | 0.9099 |
41 | CTN | 0.9092 |
42 | MPK | 0.9083 |
43 | BY5 | 0.9076 |
44 | 2TU | 0.9059 |
45 | MEX | 0.9059 |
46 | 2F6 | 0.9057 |
47 | BPS | 0.9043 |
48 | F69 | 0.9043 |
49 | HNH | 0.9042 |
50 | 7Q1 | 0.9038 |
51 | NCT | 0.9037 |
52 | 6HO | 0.9030 |
53 | DNB | 0.9026 |
54 | JF6 | 0.9017 |
55 | A4N | 0.9010 |
56 | A9P | 0.9008 |
57 | H7S | 0.9007 |
58 | URI | 0.8997 |
59 | C2M | 0.8994 |
60 | 79W | 0.8989 |
61 | GVG | 0.8984 |
62 | N2Z | 0.8981 |
63 | HNK | 0.8976 |
64 | K48 | 0.8975 |
65 | 1ER | 0.8975 |
66 | 7QS | 0.8970 |
67 | BNL | 0.8961 |
68 | 5UD | 0.8960 |
69 | AOT | 0.8950 |
70 | BCK | 0.8948 |
71 | FWD | 0.8944 |
72 | CUT | 0.8940 |
73 | CC5 | 0.8935 |
74 | M4B | 0.8933 |
75 | IWD | 0.8933 |
76 | A4Q | 0.8932 |
77 | 42R | 0.8931 |
78 | 5AE | 0.8930 |
79 | TRP | 0.8926 |
80 | S3C | 0.8919 |
81 | AED | 0.8907 |
82 | 78U | 0.8905 |
83 | GL7 | 0.8902 |
84 | N8Z | 0.8898 |
85 | CH8 | 0.8898 |
86 | F5F | 0.8898 |
87 | L5D | 0.8893 |
88 | R9G | 0.8890 |
89 | SAF | 0.8890 |
90 | 92G | 0.8886 |
91 | 3VW | 0.8878 |
92 | 50C | 0.8874 |
93 | 9W5 | 0.8865 |
94 | A9K | 0.8860 |
95 | PYU | 0.8860 |
96 | MMS | 0.8860 |
97 | 3RP | 0.8856 |
98 | DAH | 0.8855 |
99 | 3IL | 0.8855 |
100 | 54F | 0.8855 |
101 | GLS | 0.8847 |
102 | KF5 | 0.8845 |
103 | HVJ | 0.8840 |
104 | GL2 | 0.8839 |
105 | KWB | 0.8838 |
106 | AMR | 0.8835 |
107 | DKZ | 0.8835 |
108 | 8CB | 0.8832 |
109 | A9O | 0.8832 |
110 | Q4G | 0.8832 |
111 | 0OL | 0.8823 |
112 | 1FF | 0.8823 |
113 | LNR | 0.8821 |
114 | DKX | 0.8821 |
115 | 52C | 0.8818 |
116 | OX2 | 0.8814 |
117 | GFE | 0.8814 |
118 | CJB | 0.8810 |
119 | TYU | 0.8809 |
120 | N3W | 0.8809 |
121 | BZQ | 0.8804 |
122 | 6W6 | 0.8801 |
123 | J27 | 0.8790 |
124 | TCC | 0.8788 |
125 | FPL | 0.8787 |
126 | AMQ | 0.8785 |
127 | G14 | 0.8781 |
128 | MIF | 0.8781 |
129 | SOR | 0.8781 |
130 | MJ5 | 0.8779 |
131 | 6TZ | 0.8778 |
132 | S1D | 0.8777 |
133 | DTR | 0.8776 |
134 | NIY | 0.8774 |
135 | 22L | 0.8773 |
136 | GPU | 0.8773 |
137 | 2B4 | 0.8772 |
138 | 54E | 0.8771 |
139 | DCZ | 0.8771 |
140 | 1KN | 0.8771 |
141 | A6H | 0.8770 |
142 | AUT | 0.8768 |
143 | GL4 | 0.8764 |
144 | 0OY | 0.8761 |
145 | GZQ | 0.8761 |
146 | A4B | 0.8758 |
147 | 9GP | 0.8758 |
148 | GPK | 0.8755 |
149 | FMQ | 0.8752 |
150 | JSX | 0.8750 |
151 | TCL | 0.8744 |
152 | FB4 | 0.8744 |
153 | IQQ | 0.8740 |
154 | GL5 | 0.8738 |
155 | 5AD | 0.8737 |
156 | I5A | 0.8736 |
157 | DPN | 0.8735 |
158 | CLU | 0.8735 |
159 | TZM | 0.8730 |
160 | 9FH | 0.8729 |
161 | VBC | 0.8727 |
162 | 56D | 0.8725 |
163 | KYN | 0.8723 |
164 | AVI | 0.8723 |
165 | GN6 | 0.8721 |
166 | 4GP | 0.8716 |
167 | PHE | 0.8716 |
168 | BQ5 | 0.8712 |
169 | EV2 | 0.8710 |
170 | 6NZ | 0.8705 |
171 | IOS | 0.8705 |
172 | SQV | 0.8704 |
173 | 1U7 | 0.8703 |
174 | BRH | 0.8702 |
175 | HIS | 0.8700 |
176 | GPQ | 0.8700 |
177 | 2KU | 0.8698 |
178 | THM | 0.8698 |
179 | CP7 | 0.8691 |
180 | X29 | 0.8687 |
181 | BP7 | 0.8682 |
182 | 6J3 | 0.8682 |
183 | 60Q | 0.8681 |
184 | 5F5 | 0.8676 |
185 | DK4 | 0.8675 |
186 | A8Q | 0.8666 |
187 | AM1 | 0.8665 |
188 | CPZ | 0.8664 |
189 | NFA | 0.8660 |
190 | 4LV | 0.8659 |
191 | PFF | 0.8656 |
192 | 3C4 | 0.8655 |
193 | PIR | 0.8650 |
194 | N1E | 0.8650 |
195 | I59 | 0.8649 |
196 | PW1 | 0.8649 |
197 | 2LT | 0.8647 |
198 | 6ZX | 0.8645 |
199 | K7M | 0.8644 |
200 | MZR | 0.8643 |
201 | 0DN | 0.8642 |
202 | TB8 | 0.8641 |
203 | 1CY | 0.8638 |
204 | 791 | 0.8634 |
205 | 9X5 | 0.8633 |
206 | HFA | 0.8632 |
207 | TIH | 0.8632 |
208 | 091 | 0.8627 |
209 | ID8 | 0.8625 |
210 | LT8 | 0.8625 |
211 | Z15 | 0.8625 |
212 | CP6 | 0.8619 |
213 | Z57 | 0.8619 |
214 | OMD | 0.8617 |
215 | J47 | 0.8617 |
216 | KDG | 0.8608 |
217 | F1X | 0.8608 |
218 | Q06 | 0.8598 |
219 | B86 | 0.8595 |
220 | NAG | 0.8582 |
221 | LTN | 0.8577 |
222 | 5F8 | 0.8576 |
223 | MSR | 0.8573 |
224 | FUD | 0.8573 |
225 | ARJ | 0.8573 |
226 | NBG | 0.8568 |
227 | 9PL | 0.8565 |
228 | M6H | 0.8565 |
229 | MNP | 0.8558 |
230 | HX8 | 0.8557 |
231 | 8GK | 0.8556 |
232 | 2O6 | 0.8556 |
233 | AVJ | 0.8554 |
234 | TAG | 0.8548 |
235 | 6XI | 0.8543 |
236 | 5BT | 0.8538 |
237 | PUR | 0.8537 |
238 | 9H2 | 0.8534 |
239 | DHY | 0.8533 |
240 | CFA | 0.8527 |
241 | AZC | 0.8519 |
242 | GEO | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 5lp1.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |