- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 | 2OH | 0.9702 |
2 | DBE | 0.9567 |
3 | 4EU | 0.9557 |
4 | 22F | 0.9555 |
5 | 0OY | 0.9532 |
6 | H3W | 0.9529 |
7 | CW6 | 0.9520 |
8 | S46 | 0.9501 |
9 | 1OH | 0.9493 |
10 | 0D1 | 0.9472 |
11 | A8K | 0.9453 |
12 | BZQ | 0.9445 |
13 | GVQ | 0.9442 |
14 | C6Z | 0.9442 |
15 | 8OE | 0.9431 |
16 | 8OB | 0.9423 |
17 | DCN | 0.9418 |
18 | 27M | 0.9393 |
19 | 6JD | 0.9386 |
20 | TPM | 0.9373 |
21 | 11X | 0.9351 |
22 | S0F | 0.9344 |
23 | 0OL | 0.9334 |
24 | A7Q | 0.9325 |
25 | ENG | 0.9302 |
26 | TQL | 0.9272 |
27 | 6WS | 0.9271 |
28 | SFY | 0.9266 |
29 | 848 | 0.9243 |
30 | VJP | 0.9236 |
31 | 3VW | 0.9225 |
32 | RV1 | 0.9212 |
33 | FPL | 0.9194 |
34 | A08 | 0.9193 |
35 | XI7 | 0.9187 |
36 | MJ5 | 0.9185 |
37 | FB4 | 0.9181 |
38 | TCL | 0.9180 |
39 | 4FP | 0.9168 |
40 | HX8 | 0.9164 |
41 | YTZ | 0.9161 |
42 | M2E | 0.9147 |
43 | LL2 | 0.9145 |
44 | 2J5 | 0.9145 |
45 | N2Y | 0.9140 |
46 | 0QR | 0.9122 |
47 | 9JH | 0.9112 |
48 | 3QO | 0.9106 |
49 | G8V | 0.9104 |
50 | CUT | 0.9100 |
51 | OJD | 0.9098 |
52 | J4K | 0.9096 |
53 | 08D | 0.9090 |
54 | SOJ | 0.9088 |
55 | KYN | 0.9081 |
56 | CH8 | 0.9076 |
57 | FT1 | 0.9075 |
58 | 3IP | 0.9072 |
59 | BZM | 0.9061 |
60 | 4MP | 0.9057 |
61 | AVA | 0.9052 |
62 | 9VQ | 0.9049 |
63 | YIE | 0.9044 |
64 | M5B | 0.9042 |
65 | VIB | 0.9036 |
66 | R7T | 0.9033 |
67 | TRP | 0.9029 |
68 | D4G | 0.9016 |
69 | E9P | 0.9009 |
70 | 96Z | 0.9004 |
71 | NAL | 0.9001 |
72 | FT3 | 0.9000 |
73 | FT2 | 0.8999 |
74 | 78U | 0.8998 |
75 | 2JX | 0.8987 |
76 | BGK | 0.8979 |
77 | HLP | 0.8969 |
78 | HXY | 0.8966 |
79 | 6WT | 0.8958 |
80 | A6H | 0.8949 |
81 | GNW | 0.8945 |
82 | PFT | 0.8944 |
83 | 5O5 | 0.8933 |
84 | PV2 | 0.8933 |
85 | YIH | 0.8933 |
86 | 36M | 0.8932 |
87 | 9AG | 0.8931 |
88 | EXG | 0.8929 |
89 | RE4 | 0.8928 |
90 | 3W1 | 0.8925 |
91 | DP4 | 0.8923 |
92 | D1G | 0.8921 |
93 | JF5 | 0.8918 |
94 | LVP | 0.8918 |
95 | AX4 | 0.8913 |
96 | 0OM | 0.8909 |
97 | PZX | 0.8905 |
98 | B5A | 0.8902 |
99 | KPV | 0.8899 |
100 | AUV | 0.8898 |
101 | S1D | 0.8887 |
102 | CUH | 0.8885 |
103 | 0QA | 0.8872 |
104 | WVV | 0.8871 |
105 | QTV | 0.8871 |
106 | 7Y3 | 0.8868 |
107 | 0OP | 0.8859 |
108 | WCU | 0.8852 |
109 | D8Y | 0.8850 |
110 | XDH | 0.8847 |
111 | L12 | 0.8845 |
112 | TCC | 0.8844 |
113 | IT5 | 0.8842 |
114 | 4WF | 0.8831 |
115 | N9J | 0.8807 |
116 | JA3 | 0.8803 |
117 | CUQ | 0.8801 |
118 | 69K | 0.8785 |
119 | 1HR | 0.8785 |
120 | XYS XYS | 0.8783 |
121 | 56D | 0.8775 |
122 | Q9P | 0.8766 |
123 | DTR | 0.8762 |
124 | 50Q | 0.8756 |
125 | EYY | 0.8751 |
126 | LJ4 | 0.8751 |
127 | AX5 | 0.8746 |
128 | X6P | 0.8733 |
129 | N1E | 0.8733 |
130 | 3IL | 0.8731 |
131 | DBS | 0.8730 |
132 | B2K | 0.8728 |
133 | TYR | 0.8715 |
134 | F91 | 0.8713 |
135 | 7VY | 0.8712 |
136 | F63 | 0.8712 |
137 | ENO | 0.8712 |
138 | HA6 | 0.8709 |
139 | D2G | 0.8702 |
140 | 1YO | 0.8701 |
141 | XDI | 0.8698 |
142 | 9VZ | 0.8698 |
143 | PV4 | 0.8697 |
144 | 12R | 0.8690 |
145 | J47 | 0.8683 |
146 | K80 | 0.8681 |
147 | EGV | 0.8674 |
148 | S7G | 0.8673 |
149 | 1U7 | 0.8673 |
150 | QTJ | 0.8671 |
151 | DUR | 0.8668 |
152 | I2E | 0.8664 |
153 | R9V | 0.8656 |
154 | 2HI | 0.8655 |
155 | TOH | 0.8646 |
156 | EYV | 0.8646 |
157 | P2L | 0.8644 |
158 | AX8 | 0.8644 |
159 | 0QX | 0.8637 |
160 | 1CM | 0.8634 |
161 | 43F | 0.8628 |
162 | NBB | 0.8626 |
163 | ISC | 0.8600 |
164 | IM4 | 0.8599 |
165 | BC3 | 0.8595 |
166 | 1BN | 0.8595 |
167 | 3KJ | 0.8584 |
168 | 5NR | 0.8582 |
169 | 1SF | 0.8552 |
170 | QTS | 0.8545 |
171 | 27L | 0.8540 |
172 | UMP | 0.8533 |
173 | CWP | 0.8518 |
174 | TLE | 0.8516 |
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 |