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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 266 families. | |||||
1 | 2PJL | ic50 = 190 nM | 047 | C23 H28 N2 | Cc1ccc(cc1.... |
2 | 2ZAS | ic50 = 13.9 nM | 1OH | C15 H16 O | CC(C)(c1cc.... |
3 | 6I61 | Kd = 569 nM | H3W | C16 H18 O2 | CCC(C)(c1c.... |
4 | 6I66 | Kd = 182.5 nM | H4Q | C10 H14 O | CC[C@@H](C.... |
5 | 6I64 | Kd = 48.7 nM | H48 | C14 H14 O2 | CC(c1ccc(c.... |
6 | 2EWP | ic50 = 0.079 uM | TXF | C27 H31 N O3 | CN(C)CCOc1.... |
7 | 1S9P | - | DES | C18 H20 O2 | CC/C(=C(/C.... |
8 | 6I67 | Kd = 201.4 nM | H42 | C10 H12 O | c1cc2c(cc1.... |
9 | 2E2R | Kd = 5.5 nM | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
10 | 2P7Z | Kd = 0.262 uM | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
11 | 6I65 | Kd = 390.4 nM | H3Z | C9 H12 O | CC(C)c1ccc.... |
12 | 6I62 | Kd = 157.3 nM | 27N | C14 H11 Cl3 O2 | c1cc(ccc1C.... |
13 | 2GPU | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
14 | 6I63 | Kd = 98 nM | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
15 | 2P7A | Kd = 0.788 uM | 43M | C7 H7 Cl O | Cc1cc(ccc1.... |
16 | 2P7G | Kd = 0.297 uM | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
17 | 6K3N | ic50 = 5.3 nM | CW6 | C15 H15 F O2 | CC(C)(c1cc.... |
18 | 1S9Q | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 3ERT | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
2 | 6WOK | ic50 = 1.6 nM | U6D | C28 H33 F4 N3 O | C[C@@H]1Cc.... |
3 | 1YIM | ic50 = 1.5 nM | CM4 | C28 H31 N O4 | C[C@@H]1c2.... |
4 | 6DF6 | ic50 = 0.059 uM | G8Y | C29 H28 F N O5 | c1cc(ccc1[.... |
5 | 5W9C | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
6 | 1XP6 | ic50 = 0.4 nM | AIU | C28 H31 N O4 S | C[C@@H]1CN.... |
7 | 5FQT | ic50 = 160 nM | 7QN | C23 H27 N O3 | Cc1c(ccc2c.... |
8 | 4IW6 | - | 1GU | C18 H15 F3 N2 O2 | C=CCCn1c(c.... |
9 | 5FQV | ic50 = 610 nM | VQI | C23 H27 N O3 | Cc1cc2c(cc.... |
10 | 4IW8 | - | KN3 | C19 H17 F3 N2 O2 | CC(=CCn1c2.... |
11 | 5FQR | ic50 = 26 nM | QHG | C22 H25 N O3 | CC(C)CN1CC.... |
12 | 6SBO | - | L5B | C31 H30 Cl2 F N O3 | c1cc(ccc1C.... |
13 | 2IOG | ic50 = 8 nM | IOG | C33 H39 N3 O3 | C[C@H](CCc.... |
14 | 1GWQ | Kd = 76 nM | LYS ILE LEU HIS ARG LEU LEU GLN ASP | n/a | n/a |
15 | 6DFN | ic50 = 0.055 uM | G91 | C29 H28 F N O5 | c1cc(ccc1[.... |
16 | 4IVW | - | 1GJ | C21 H15 F3 N2 O2 | c1ccc(cc1).... |
17 | 5U2B | - | 6WV | C24 H29 N O | C[C@]12CC[.... |
18 | 4IUI | - | 1GQ | C18 H17 F3 N2 O2 | CCCCn1c2c(.... |
19 | 1XQC | ic50 = 63 nM | AEJ | C29 H33 N3 O | c1ccc(cc1).... |
20 | 1UOM | ic50 = 19 nM | PTI | C28 H32 N2 O2 | c1ccc(cc1).... |
21 | 1XP1 | ic50 = 0.5 nM | AIH | C28 H31 N O4 S | C[C@H]1CN(.... |
22 | 2QXS | - | RAL | C28 H27 N O4 S | c1cc(ccc1c.... |
23 | 6CHZ | - | F3D | C31 H36 N4 O2 | CC/C(=C(/c.... |
24 | 2Q70 | Ki = 8.3 nM | DC8 | C18 H16 F2 O3 | c1cc(ccc1[.... |
25 | 2R6W | Ki = 0.44 nM | LLB | C29 H29 N O4 S | CC1CCN(CC1.... |
26 | 2QE4 | Ki = 11 nM | JJ3 | C20 H22 O4 | COCc1cc(cc.... |
27 | 5AK2 | ic50 = 0.0039 uM | 85Z | C26 H19 F O5 | Cc1cc(ccc1.... |
28 | 1XP9 | ic50 = 1.3 nM | AIJ | C27 H29 N O4 S | C[C@@H](CO.... |
29 | 4IV4 | - | 1GS | C18 H17 F3 N2 O2 | CC(C)Cn1c(.... |
30 | 5UFW | - | 86V | C29 H31 N O4 | C[C@H]1CCN.... |
31 | 2IOK | ic50 = 1 nM | IOK | C26 H26 N2 O2 | C[C@H](CCc.... |
32 | 3OSA | - | KN3 | C19 H17 F3 N2 O2 | CC(=CCn1c2.... |
33 | 5TN9 | - | 7EC | C31 H32 Br N O6 S | c1cc(ccc1C.... |
34 | 3UUC | - | 0D1 | C14 H10 Cl2 O2 | c1cc(ccc1C.... |
35 | 1GWR | Kd = 250 nM | ASN ALA LEU LEU ARG TYR LEU LEU ASP | n/a | n/a |
36 | 4PP6 | - | LYS ILE LEU HIS ARG LEU LEU GLN ASP | n/a | n/a |
37 | 2OUZ | - | C3D | C28 H31 N O2 | c1ccc(cc1).... |
38 | 3OS9 | - | KN1 | C17 H13 F3 N2 O2 | C=CCn1c2c(.... |
39 | 1XPC | ic50 = 1.7 nM | AIT | C27 H29 N O4 S | C[C@H](COc.... |
40 | 6SQ0 | ic50 = 0.00000001 M | LRQ | C27 H27 F3 N2 O2 | CC(C)(CN1[.... |
41 | 2R6Y | Ki = 0.32 nM | LLC | C27 H25 N O4 S | c1cc(ccc1c.... |
42 | 4IU7 | - | 1GM | C16 H13 F3 N2 O2 | CCn1c(c2cc.... |
43 | 2POG | Ki = 0.29 nM | WST | C18 H18 O3 | c1cc(c2c(c.... |
44 | 5TNB | - | 7EB | C28 H28 Br N O6 S | CN(C)CCOc1.... |
45 | 1SJ0 | ic50 = 0.8 nM | E4D | C27 H29 N O4 S | c1cc(ccc1[.... |
46 | 5T92 | ic50 = 16 nM | 77W | C25 H22 F N O3 | C[C@]1(c2c.... |
47 | 5W9D | - | 9XY | C25 H27 N O2 | CC/C(=C(c1.... |
48 | 3DT3 | - | 369 | C23 H18 O4 | Cc1cc2cc(c.... |
49 | 5AAU | ic50 = 13.8 uM | XBR | C20 H19 Cl N2 O2 | c1ccc2c(c1.... |
50 | 6PET | - | G9J | C22 H17 I O3 | CC1=C([C@@.... |
51 | 6SUO | ic50 = 0.00000001 M | LVH | C26 H27 F3 N2 O2 | C[C@@H]1Cc.... |
52 | 5UFX | - | 86Y | C29 H31 N O4 | C[C@@H]1CC.... |
53 | 4IV2 | - | 1GR | C18 H17 F3 N2 O2 | CC(C)Cn1c2.... |
54 | 4IWC | - | 1GV | C18 H16 O2 S | Cc1cc(ccc1.... |
55 | 5FQP | ic50 = 19 nM | GQD | C23 H27 N O3 | C[C@@H]1Cc.... |
56 | 1YIN | ic50 = 1.4 nM | CM3 | C29 H32 F N O4 | C[C@@H]1c2.... |
57 | 4IVY | - | 1GT | C18 H15 F3 N2 O2 | C=CCCn1c2c.... |
58 | 2AYR | Ki = 0.51 nM | L4G | C30 H31 N O5 S | CS(=O)(=O).... |
59 | 4IWF | - | 15Q | C13 H9 Cl F N O3 | c1cc(c(cc1.... |
60 | 5FQS | ic50 = 44 nM | J0W | C23 H27 N O3 | CC(C)CN1CC.... |
61 | 1QKT | Kd = 0.92 nM | EST | C18 H24 O2 | C[C@]12CC[.... |
62 | 6IAR | - | H8W | C23 H27 N3 O2 | CC(C)CN1CC.... |
63 | 5ACC | ic50 = 0.676 nM | KE9 | C25 H25 F3 N2 O2 | C[C@@H]1Cc.... |
64 | 1G5Y | - | REA | C20 H28 O2 | CC1=C(C(CC.... |
65 | 3PCU | - | LX8 | C21 H24 O5 | CC(=O)OC(C.... |
66 | 5MKJ | - | 4CU | C21 H22 O4 | CCCOc1ccc(.... |
67 | 1FBY | Kd = 1.5 nM | 9CR | C20 H28 O2 | CC1=C(C(CC.... |
68 | 4N5G | ic50 = 14.5 uM | K09 | C23 H23 F N4 | CC1=C(c2cc.... |
69 | 1HG4 | - | LPP | C35 H69 O8 P | CCCCCCCCCC.... |
70 | 1G2N | - | EPH | C39 H68 N O8 P | CCCC=CCC=C.... |
71 | 2PJL | ic50 = 190 nM | 047 | C23 H28 N2 | Cc1ccc(cc1.... |
72 | 2JJ3 | Ki = 0.28 nM | JJ3 | C20 H22 O4 | COCc1cc(cc.... |
73 | 2Z4B | Ki = 0.44 nM | DC8 | C18 H16 F2 O3 | c1cc(ccc1[.... |
74 | 5TOA | - | EST | C18 H24 O2 | C[C@]12CC[.... |
75 | 1QKM | - | GEN | C15 H10 O5 | c1cc(ccc1C.... |
76 | 2GIU | ic50 = 1.5 nM | FBR | C17 H19 Br O2 | CCCC[C@@]1.... |
77 | 1QKN | - | RAL | C28 H27 N O4 S | c1cc(ccc1c.... |
78 | 1U9E | ic50 = 5.7 nM | 397 | C14 H10 O3 | c1cc(ccc1c.... |
79 | 1U3Q | ic50 = 3.5 nM | 272 | C13 H9 N O4 | c1cc2c(cc1.... |
80 | 2I0G | Ki = 0.19 nM | I0G | C18 H18 O3 | c1cc(ccc1[.... |
81 | 1HJ1 | - | PMB | C6 H5 Hg O3 S | c1cc(ccc1S.... |
82 | 2FSZ | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
83 | 2NV7 | ic50 = 5 nM | 555 | C17 H13 N O2 | c1ccc2c(c1.... |
84 | 3FS1 | - | MYR | C14 H28 O2 | CCCCCCCCCC.... |
85 | 2ZAS | ic50 = 13.9 nM | 1OH | C15 H16 O | CC(C)(c1cc.... |
86 | 6I61 | Kd = 569 nM | H3W | C16 H18 O2 | CCC(C)(c1c.... |
87 | 6I66 | Kd = 182.5 nM | H4Q | C10 H14 O | CC[C@@H](C.... |
88 | 6I64 | Kd = 48.7 nM | H48 | C14 H14 O2 | CC(c1ccc(c.... |
89 | 2EWP | ic50 = 0.079 uM | TXF | C27 H31 N O3 | CN(C)CCOc1.... |
90 | 1S9P | - | DES | C18 H20 O2 | CC/C(=C(/C.... |
91 | 6I67 | Kd = 201.4 nM | H42 | C10 H12 O | c1cc2c(cc1.... |
92 | 2E2R | Kd = 5.5 nM | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
93 | 2P7Z | Kd = 0.262 uM | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
94 | 6I65 | Kd = 390.4 nM | H3Z | C9 H12 O | CC(C)c1ccc.... |
95 | 6I62 | Kd = 157.3 nM | 27N | C14 H11 Cl3 O2 | c1cc(ccc1C.... |
96 | 2GPU | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
97 | 6I63 | Kd = 98 nM | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
98 | 2P7A | Kd = 0.788 uM | 43M | C7 H7 Cl O | Cc1cc(ccc1.... |
99 | 2P7G | Kd = 0.297 uM | 2OH | C15 H16 O2 | CC(C)(c1cc.... |
100 | 6K3N | ic50 = 5.3 nM | CW6 | C15 H15 F O2 | CC(C)(c1cc.... |
101 | 1S9Q | - | OHT | C26 H29 N O2 | CC/C(=C(c1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6JD | 0.9733 |
2 | H48 | 0.9702 |
3 | DBE | 0.9597 |
4 | GVQ | 0.9551 |
5 | SFY | 0.9527 |
6 | VJP | 0.9503 |
7 | 4EU | 0.9498 |
8 | YTZ | 0.9477 |
9 | S46 | 0.9409 |
10 | RV1 | 0.9401 |
11 | 0D1 | 0.9395 |
12 | 0QR | 0.9392 |
13 | 22F | 0.9388 |
14 | CUT | 0.9371 |
15 | A8K | 0.9359 |
16 | 08D | 0.9328 |
17 | 27M | 0.9315 |
18 | 0OY | 0.9312 |
19 | BZQ | 0.9249 |
20 | C6Z | 0.9244 |
21 | 27N | 0.9236 |
22 | 8OB | 0.9235 |
23 | 8OE | 0.9234 |
24 | TBL | 0.9216 |
25 | B2K | 0.9206 |
26 | PZX | 0.9194 |
27 | J4K | 0.9190 |
28 | TQL | 0.9172 |
29 | 6WT | 0.9156 |
30 | DCN | 0.9146 |
31 | HX8 | 0.9144 |
32 | CUH | 0.9144 |
33 | BZM | 0.9139 |
34 | AXZ | 0.9138 |
35 | XDH | 0.9138 |
36 | DP4 | 0.9135 |
37 | 11X | 0.9132 |
38 | P3Z | 0.9130 |
39 | 6WS | 0.9127 |
40 | OJD | 0.9110 |
41 | 0OL | 0.9106 |
42 | 2JX | 0.9093 |
43 | 0UT | 0.9089 |
44 | S0F | 0.9088 |
45 | 7Y3 | 0.9086 |
46 | DI9 | 0.9076 |
47 | TCL | 0.9073 |
48 | XI7 | 0.9073 |
49 | 5R8 | 0.9072 |
50 | WDT | 0.9068 |
51 | PV2 | 0.9066 |
52 | A08 | 0.9063 |
53 | A7Q | 0.9048 |
54 | XDI | 0.9046 |
55 | M5B | 0.9040 |
56 | YIH | 0.9035 |
57 | 5O5 | 0.9035 |
58 | 4FP | 0.9022 |
59 | FB4 | 0.9015 |
60 | M2E | 0.9014 |
61 | MJ5 | 0.9001 |
62 | 62P | 0.8999 |
63 | CH8 | 0.8983 |
64 | KYN | 0.8978 |
65 | PFT | 0.8978 |
66 | 4MP | 0.8977 |
67 | FPL | 0.8972 |
68 | 848 | 0.8970 |
69 | EYY | 0.8970 |
70 | E9P | 0.8967 |
71 | Q8G | 0.8961 |
72 | STS | 0.8952 |
73 | 3VW | 0.8951 |
74 | QTV | 0.8949 |
75 | 2BI | 0.8945 |
76 | 3W1 | 0.8939 |
77 | WCU | 0.8937 |
78 | NAL | 0.8935 |
79 | MEX | 0.8934 |
80 | KPV | 0.8934 |
81 | FT1 | 0.8928 |
82 | 0OM | 0.8921 |
83 | DY8 | 0.8920 |
84 | 3IP | 0.8897 |
85 | 1CM | 0.8896 |
86 | JF5 | 0.8887 |
87 | FT2 | 0.8885 |
88 | 9ME | 0.8884 |
89 | 96Z | 0.8880 |
90 | MYT | 0.8879 |
91 | G8V | 0.8868 |
92 | 3IL | 0.8865 |
93 | NBB | 0.8863 |
94 | FT3 | 0.8860 |
95 | 9VZ | 0.8860 |
96 | 0QA | 0.8857 |
97 | 8PO | 0.8852 |
98 | BGK | 0.8851 |
99 | 9JH | 0.8850 |
100 | LVP | 0.8848 |
101 | 8PL | 0.8842 |
102 | 1U7 | 0.8840 |
103 | W1G | 0.8834 |
104 | EXG | 0.8831 |
105 | AX4 | 0.8826 |
106 | AVO | 0.8825 |
107 | F91 | 0.8823 |
108 | HLP | 0.8823 |
109 | B5A | 0.8817 |
110 | N2Y | 0.8817 |
111 | 2HI | 0.8813 |
112 | SOJ | 0.8812 |
113 | L12 | 0.8812 |
114 | QTG | 0.8807 |
115 | 78U | 0.8804 |
116 | R7T | 0.8802 |
117 | DTR | 0.8799 |
118 | JA3 | 0.8798 |
119 | YUG | 0.8796 |
120 | AUV | 0.8792 |
121 | RE4 | 0.8792 |
122 | AVA | 0.8789 |
123 | LJ4 | 0.8788 |
124 | 5AD | 0.8785 |
125 | 9VQ | 0.8783 |
126 | K48 | 0.8780 |
127 | TRP | 0.8779 |
128 | 3QO | 0.8778 |
129 | 87L | 0.8777 |
130 | VIB | 0.8771 |
131 | D4G | 0.8767 |
132 | YKN | 0.8762 |
133 | M5E | 0.8757 |
134 | AX8 | 0.8744 |
135 | WVV | 0.8742 |
136 | 5C1 | 0.8741 |
137 | KP2 | 0.8740 |
138 | CC5 | 0.8734 |
139 | ISC | 0.8734 |
140 | QTS | 0.8734 |
141 | JOT | 0.8733 |
142 | D8Y | 0.8730 |
143 | D1G | 0.8727 |
144 | TCC | 0.8726 |
145 | LFQ | 0.8719 |
146 | PV1 | 0.8716 |
147 | TYP | 0.8708 |
148 | MQS | 0.8702 |
149 | JE7 | 0.8702 |
150 | 6SY | 0.8697 |
151 | L1T | 0.8695 |
152 | 4WF | 0.8685 |
153 | 69K | 0.8683 |
154 | PYU | 0.8682 |
155 | S7G | 0.8681 |
156 | 4NR | 0.8680 |
157 | TI7 | 0.8678 |
158 | RNK | 0.8675 |
159 | J47 | 0.8674 |
160 | 0OP | 0.8671 |
161 | IT5 | 0.8670 |
162 | IQQ | 0.8667 |
163 | AJ1 | 0.8667 |
164 | FNA | 0.8664 |
165 | ISJ | 0.8662 |
166 | 92Y | 0.8660 |
167 | 7VF | 0.8657 |
168 | 1FE | 0.8654 |
169 | PW1 | 0.8652 |
170 | 36M | 0.8652 |
171 | JSX | 0.8648 |
172 | S1D | 0.8647 |
173 | 5R9 | 0.8646 |
174 | F0C | 0.8645 |
175 | 68B | 0.8644 |
176 | D2S | 0.8644 |
177 | BIE | 0.8642 |
178 | 8CC | 0.8641 |
179 | 5FL | 0.8640 |
180 | SNJ | 0.8637 |
181 | IM4 | 0.8636 |
182 | CUQ | 0.8623 |
183 | NWD | 0.8618 |
184 | X6P | 0.8617 |
185 | IWH | 0.8614 |
186 | PV8 | 0.8612 |
187 | URI | 0.8612 |
188 | 22L | 0.8611 |
189 | IQW | 0.8610 |
190 | 47V | 0.8604 |
191 | ALA GLN | 0.8602 |
192 | Q0K | 0.8601 |
193 | AED | 0.8599 |
194 | YIE | 0.8592 |
195 | BC3 | 0.8588 |
196 | 43F | 0.8584 |
197 | 1ER | 0.8583 |
198 | HPF | 0.8582 |
199 | 9W5 | 0.8578 |
200 | 4KN | 0.8575 |
201 | L5D | 0.8572 |
202 | 5F8 | 0.8571 |
203 | NPG | 0.8565 |
204 | DA3 | 0.8560 |
205 | XYS XYS | 0.8547 |
206 | NWL | 0.8546 |
207 | FCD | 0.8534 |
208 | GNR | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 6k3n.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5HCV | 60R | 34.3612 |
2 | 2A3I | C0R | 34.3612 |
3 | 5HCV | 60R | 34.3612 |
4 | 5HCV | 60R | 34.3612 |
5 | 5L7G | 6QE | 34.8018 |
6 | 4UDB | CV7 | 34.8018 |
7 | 6GGG | EYN | 34.8018 |
8 | 1M2Z | DEX | 37.0044 |
9 | 1M2Z | DEX | 37.0044 |
10 | 4LSJ | LSJ | 37.4449 |
11 | 4LSJ | LSJ | 37.4449 |
12 | 3RY9 | 1CA | 37.4449 |
13 | 3RY9 | 1CA | 37.4449 |
14 | 2Q1H | AS4 | 37.8855 |
15 | 4OAR | 2S0 | 38.326 |
16 | 3GN8 | DEX | 38.7665 |
17 | 3GN8 | DEX | 38.7665 |
18 | 6W9K | TUA | 38.7665 |
19 | 5UFS | 1TA | 38.7665 |
20 | 5UFS | 1TA | 38.7665 |
21 | 6NWK | DEX | 39.2071 |
22 | 4P6X | HCY | 42.8571 |
23 | 4P6X | HCY | 42.8571 |
24 | 4P6X | HCY | 42.8571 |
25 | 4P6X | HCY | 42.8571 |
26 | 4P6X | HCY | 42.8571 |
27 | 4E2J | MOF | 50 |
28 | 4E2J | MOF | 50 |
29 | 4P6W | MOF | 50 |
This union binding pocket(no: 2) in the query (biounit: 6k3n.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |