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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 2 families. | |||||
1 | 3FTW | - | 11X | C12 H12 N2 | c1ccc(cc1).... |
2 | 3FUK | ic50 = 966 uM | 58Z | C16 H20 N2 O3 | c1cc2c(cc[.... |
3 | 3FU6 | ic50 = 106 uM | 80G | C11 H11 N S | c1cc(sc1)c.... |
4 | 6END | ic50 = 0.133 uM | BGK | C13 H8 N2 O2 S | c1cc2c(nc1.... |
5 | 3FUI | ic50 = 0.157 uM | 812 | C18 H22 N2 O | c1ccc(cc1).... |
6 | 3FU5 | ic50 = 75.2 uM | 492 | C9 H9 N S2 | c1cc(sc1)c.... |
7 | 2R59 | Ki = 6.5 nM | PH0 | C27 H31 N2 O5 P | c1ccc(cc1).... |
8 | 5N3W | ic50 = 0.5 uM | 8KW | C15 H16 O3 | COc1cc(cc(.... |
9 | 3CHP | ic50 = 5400 nM | 4BO | C17 H18 N2 O4 | c1ccc(cc1).... |
10 | 4L2L | Ki = 2.3 uM | 1V6 | C16 H14 N2 S | c1ccc(cc1).... |
11 | 1HS6 | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
12 | 6ENB | - | PRO GLY PRO | n/a | n/a |
13 | 3B7T | - | ARG ALA ARG | n/a | n/a |
14 | 3B7R | Ki = 20 nM | BIR | C21 H27 N2 O5 P | C[C@@H](C(.... |
15 | 3FUN | ic50 = 0.189 uM | 798 | C22 H21 N O2 S | c1cc(ccc1c.... |
16 | 3FTX | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
17 | 5NI4 | - | DJ3 | C20 H30 O3 | CCCCC/C=CC.... |
18 | 3CHR | ic50 = 61 nM | 4BS | C17 H20 N2 O2 | c1ccc(cc1).... |
19 | 3B7S | - | ARG SER ARG | n/a | n/a |
20 | 2VJ8 | Ki = 0.002 uM | HA2 | C22 H28 N2 O5 | c1ccc(cc1).... |
21 | 3FUH | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
22 | 5AEN | ic50 = 0.06 uM | DP8 | C16 H19 N O2 | CN(C)CCOc1.... |
23 | 4MS6 | - | 28T | C13 H20 N2 O4 | C1C[C@H](N.... |
24 | 3FUE | ic50 = 1510 uM | 11S | C8 H6 Cl N | c1cc2c(cc[.... |
25 | 3FH8 | ic50 = 180 nM | 27P | C19 H23 N O | c1ccc(cc1).... |
26 | 5BPP | ic50 = 15.86 uM | A4Z | C12 H17 N O3 | CCCCOc1ccc.... |
27 | 3FTZ | - | 848 | C12 H12 N2 O | c1ccc(c(c1.... |
28 | 5NI6 | - | DJ3 | C20 H30 O3 | CCCCC/C=CC.... |
29 | 3FTV | ic50 = 1667 uM | 11X | C12 H12 N2 | c1ccc(cc1).... |
30 | 3CHQ | ic50 = 20 nM | 4BQ | C18 H20 N2 O4 | c1ccc(cc1).... |
31 | 3FUL | ic50 = 199 uM | 52D | C18 H20 N2 O2 | c1cc(ccc1C.... |
32 | 3FTS | ic50 = 212 uM | STL | C14 H12 O3 | c1cc(ccc1C.... |
33 | 3FHE | - | 28P | C20 H25 N O3 | C[N@@](CCC.... |
34 | 6ENC | ic50 = 0.019 uM | BGW | C20 H20 N2 O3 S | c1ccc2c(c1.... |
35 | 3FUM | ic50 = 170 uM | 80A | C18 H22 N2 O2 | c1cc(ccc1[.... |
36 | 3B7U | - | KEL | C14 H18 N2 O5 | C[C@@H](C(.... |
37 | 3FTY | ic50 = 619 uM | 3IP | C12 H12 N2 O | c1ccc(cc1).... |
38 | 3FTU | ic50 = 247 uM | RE2 | C14 H14 O3 | c1cc(ccc1C.... |
39 | 3FH7 | Kd = 25 nM | 25P | C21 H23 Cl N O4 | c1cc(ccc1O.... |
40 | 3FUJ | ic50 = 234 uM | 00G | C14 H14 N2 O | c1ccn(c1)C.... |
41 | 3FU0 | ic50 = 5308 uM | 22F | C12 H8 F N O | c1cc(ccc1C.... |
42 | 3FH5 | ic50 = 87 nM | 24P | C18 H21 N O | c1ccc(cc1).... |
43 | 3CHO | ic50 = 280 nM | 4BG | C15 H16 N2 O2 | c1ccc(cc1).... |
44 | 3FUD | ic50 > 2000 uM | 692 | C12 H13 N S | CNCc1ccccc.... |
45 | 3FU3 | ic50 = 1443 uM | 92G | C9 H8 N2 O S | c1cc(ccc1c.... |
46 | 4MKT | Ki = 2.3 uM | 1V6 | C16 H14 N2 S | c1ccc(cc1).... |
47 | 5NI2 | - | DJ3 | C20 H30 O3 | CCCCC/C=CC.... |
48 | 1GW6 | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
49 | 4GAA | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 3FTW | - | 11X | C12 H12 N2 | c1ccc(cc1).... |
2 | 3FUK | ic50 = 966 uM | 58Z | C16 H20 N2 O3 | c1cc2c(cc[.... |
3 | 3FU6 | ic50 = 106 uM | 80G | C11 H11 N S | c1cc(sc1)c.... |
4 | 6END | ic50 = 0.133 uM | BGK | C13 H8 N2 O2 S | c1cc2c(nc1.... |
5 | 3FUI | ic50 = 0.157 uM | 812 | C18 H22 N2 O | c1ccc(cc1).... |
6 | 3FU5 | ic50 = 75.2 uM | 492 | C9 H9 N S2 | c1cc(sc1)c.... |
7 | 2R59 | Ki = 6.5 nM | PH0 | C27 H31 N2 O5 P | c1ccc(cc1).... |
8 | 5N3W | ic50 = 0.5 uM | 8KW | C15 H16 O3 | COc1cc(cc(.... |
9 | 3CHP | ic50 = 5400 nM | 4BO | C17 H18 N2 O4 | c1ccc(cc1).... |
10 | 4L2L | Ki = 2.3 uM | 1V6 | C16 H14 N2 S | c1ccc(cc1).... |
11 | 1HS6 | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
12 | 6ENB | - | PRO GLY PRO | n/a | n/a |
13 | 3B7T | - | ARG ALA ARG | n/a | n/a |
14 | 3B7R | Ki = 20 nM | BIR | C21 H27 N2 O5 P | C[C@@H](C(.... |
15 | 3FUN | ic50 = 0.189 uM | 798 | C22 H21 N O2 S | c1cc(ccc1c.... |
16 | 3FTX | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
17 | 5NI4 | - | DJ3 | C20 H30 O3 | CCCCC/C=CC.... |
18 | 3CHR | ic50 = 61 nM | 4BS | C17 H20 N2 O2 | c1ccc(cc1).... |
19 | 3B7S | - | ARG SER ARG | n/a | n/a |
20 | 2VJ8 | Ki = 0.002 uM | HA2 | C22 H28 N2 O5 | c1ccc(cc1).... |
21 | 3FUH | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
22 | 5AEN | ic50 = 0.06 uM | DP8 | C16 H19 N O2 | CN(C)CCOc1.... |
23 | 4MS6 | - | 28T | C13 H20 N2 O4 | C1C[C@H](N.... |
24 | 3FUE | ic50 = 1510 uM | 11S | C8 H6 Cl N | c1cc2c(cc[.... |
25 | 3FH8 | ic50 = 180 nM | 27P | C19 H23 N O | c1ccc(cc1).... |
26 | 5BPP | ic50 = 15.86 uM | A4Z | C12 H17 N O3 | CCCCOc1ccc.... |
27 | 3FTZ | - | 848 | C12 H12 N2 O | c1ccc(c(c1.... |
28 | 5NI6 | - | DJ3 | C20 H30 O3 | CCCCC/C=CC.... |
29 | 3FTV | ic50 = 1667 uM | 11X | C12 H12 N2 | c1ccc(cc1).... |
30 | 3CHQ | ic50 = 20 nM | 4BQ | C18 H20 N2 O4 | c1ccc(cc1).... |
31 | 3FUL | ic50 = 199 uM | 52D | C18 H20 N2 O2 | c1cc(ccc1C.... |
32 | 3FTS | ic50 = 212 uM | STL | C14 H12 O3 | c1cc(ccc1C.... |
33 | 3FHE | - | 28P | C20 H25 N O3 | C[N@@](CCC.... |
34 | 6ENC | ic50 = 0.019 uM | BGW | C20 H20 N2 O3 S | c1ccc2c(c1.... |
35 | 3FUM | ic50 = 170 uM | 80A | C18 H22 N2 O2 | c1cc(ccc1[.... |
36 | 3B7U | - | KEL | C14 H18 N2 O5 | C[C@@H](C(.... |
37 | 3FTY | ic50 = 619 uM | 3IP | C12 H12 N2 O | c1ccc(cc1).... |
38 | 3FTU | ic50 = 247 uM | RE2 | C14 H14 O3 | c1cc(ccc1C.... |
39 | 3FH7 | Kd = 25 nM | 25P | C21 H23 Cl N O4 | c1cc(ccc1O.... |
40 | 3FUJ | ic50 = 234 uM | 00G | C14 H14 N2 O | c1ccn(c1)C.... |
41 | 3FU0 | ic50 = 5308 uM | 22F | C12 H8 F N O | c1cc(ccc1C.... |
42 | 3FH5 | ic50 = 87 nM | 24P | C18 H21 N O | c1ccc(cc1).... |
43 | 3CHO | ic50 = 280 nM | 4BG | C15 H16 N2 O2 | c1ccc(cc1).... |
44 | 3FUD | ic50 > 2000 uM | 692 | C12 H13 N S | CNCc1ccccc.... |
45 | 3FU3 | ic50 = 1443 uM | 92G | C9 H8 N2 O S | c1cc(ccc1c.... |
46 | 4MKT | Ki = 2.3 uM | 1V6 | C16 H14 N2 S | c1ccc(cc1).... |
47 | 5NI2 | - | DJ3 | C20 H30 O3 | CCCCC/C=CC.... |
48 | 1GW6 | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
49 | 4GAA | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
50 | 2XQ0 | - | BES | C16 H24 N2 O4 | CC(C)C[C@@.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | STL | 0.9849 |
2 | IEE | 0.9721 |
3 | BVB | 0.9667 |
4 | PIT | 0.9579 |
5 | RE4 | 0.9479 |
6 | 8KW | 0.9474 |
7 | 83D | 0.9438 |
8 | D8Y | 0.9381 |
9 | IW5 | 0.9321 |
10 | LJ1 | 0.9315 |
11 | 1UA | 0.9276 |
12 | 6IP | 0.9269 |
13 | V15 | 0.9265 |
14 | 0QR | 0.9259 |
15 | NX1 | 0.9223 |
16 | TPM | 0.9217 |
17 | AEY | 0.9216 |
18 | LJ5 | 0.9193 |
19 | IW3 | 0.9157 |
20 | NXY | 0.9120 |
21 | MR6 | 0.9119 |
22 | EMU | 0.9110 |
23 | N0H | 0.9088 |
24 | OSY | 0.9080 |
25 | OA5 | 0.9077 |
26 | 6H2 | 0.9077 |
27 | 4P9 | 0.9075 |
28 | LJ2 | 0.9067 |
29 | IW4 | 0.9063 |
30 | 2M7 | 0.9061 |
31 | 0OP | 0.9060 |
32 | 7ZO | 0.9038 |
33 | YIP | 0.9036 |
34 | 245 | 0.9028 |
35 | D4G | 0.9021 |
36 | FY8 | 0.9014 |
37 | SFY | 0.9004 |
38 | G2V | 0.8994 |
39 | ZEA | 0.8993 |
40 | L12 | 0.8991 |
41 | OLU | 0.8977 |
42 | CMG | 0.8968 |
43 | BSU | 0.8959 |
44 | F18 | 0.8956 |
45 | IW2 | 0.8954 |
46 | 7FZ | 0.8936 |
47 | AJ4 | 0.8936 |
48 | 1A6 | 0.8933 |
49 | AJ6 | 0.8928 |
50 | HPK | 0.8923 |
51 | SJR | 0.8920 |
52 | 6EO | 0.8919 |
53 | KVD | 0.8906 |
54 | D8B | 0.8903 |
55 | NW1 | 0.8901 |
56 | CIU | 0.8899 |
57 | HPZ | 0.8896 |
58 | 5TU | 0.8895 |
59 | AOY | 0.8894 |
60 | S0B | 0.8892 |
61 | C0E | 0.8888 |
62 | 3IP | 0.8887 |
63 | CDX | 0.8874 |
64 | 4TX | 0.8873 |
65 | MJW | 0.8872 |
66 | 0X2 | 0.8872 |
67 | CWP | 0.8865 |
68 | 4RG | 0.8861 |
69 | WCU | 0.8854 |
70 | A0R | 0.8853 |
71 | 3RL | 0.8853 |
72 | 8M5 | 0.8852 |
73 | 4YE | 0.8850 |
74 | T07 | 0.8846 |
75 | NX5 | 0.8843 |
76 | M16 | 0.8840 |
77 | C1E | 0.8837 |
78 | LZ7 | 0.8832 |
79 | NAR | 0.8832 |
80 | GJB | 0.8831 |
81 | JBB | 0.8827 |
82 | D59 | 0.8822 |
83 | DZ2 | 0.8822 |
84 | C4F | 0.8814 |
85 | RNK | 0.8814 |
86 | DZ3 | 0.8812 |
87 | 0ON | 0.8809 |
88 | 9JT | 0.8802 |
89 | QC1 | 0.8801 |
90 | 1Q2 | 0.8799 |
91 | F91 | 0.8798 |
92 | A51 | 0.8796 |
93 | WG8 | 0.8794 |
94 | 0XR | 0.8791 |
95 | Y27 | 0.8787 |
96 | LU2 | 0.8785 |
97 | T03 | 0.8781 |
98 | KLS | 0.8780 |
99 | NNF | 0.8779 |
100 | LND | 0.8773 |
101 | SE5 | 0.8772 |
102 | FBC | 0.8768 |
103 | ZRK | 0.8765 |
104 | IW1 | 0.8763 |
105 | 5S9 | 0.8759 |
106 | HCC | 0.8757 |
107 | DTB | 0.8755 |
108 | DMB | 0.8752 |
109 | 8WW | 0.8751 |
110 | ZYC | 0.8749 |
111 | FHV | 0.8747 |
112 | 47V | 0.8743 |
113 | 1Q1 | 0.8743 |
114 | X8W | 0.8741 |
115 | NZ4 | 0.8741 |
116 | 2L1 | 0.8739 |
117 | 68B | 0.8739 |
118 | SFQ | 0.8739 |
119 | 4CN | 0.8734 |
120 | NQE | 0.8733 |
121 | MRE | 0.8733 |
122 | TH1 | 0.8732 |
123 | S0A | 0.8731 |
124 | O9T | 0.8724 |
125 | ZRL | 0.8721 |
126 | AGI | 0.8717 |
127 | YKN | 0.8715 |
128 | O9Z | 0.8711 |
129 | 5RV | 0.8708 |
130 | U13 | 0.8707 |
131 | LI7 | 0.8704 |
132 | 7G0 | 0.8704 |
133 | ESJ | 0.8700 |
134 | DZ1 | 0.8699 |
135 | 2L2 | 0.8698 |
136 | MR4 | 0.8698 |
137 | BTN | 0.8692 |
138 | 135 | 0.8686 |
139 | MHB | 0.8682 |
140 | K0G | 0.8677 |
141 | XYP XYP | 0.8673 |
142 | HHV | 0.8672 |
143 | 6BK | 0.8668 |
144 | MR5 | 0.8664 |
145 | ZTW | 0.8658 |
146 | WA1 | 0.8657 |
147 | J2N | 0.8656 |
148 | 3TI | 0.8656 |
149 | 246 | 0.8656 |
150 | PW5 | 0.8655 |
151 | BGK | 0.8655 |
152 | D26 | 0.8654 |
153 | 5ER | 0.8647 |
154 | LR2 | 0.8633 |
155 | S7D | 0.8633 |
156 | 5WK | 0.8629 |
157 | OUA | 0.8622 |
158 | CMP | 0.8621 |
159 | CBE | 0.8621 |
160 | AT2 | 0.8621 |
161 | BMC | 0.8621 |
162 | LVB | 0.8620 |
163 | JP5 | 0.8617 |
164 | IPJ | 0.8617 |
165 | U8K | 0.8615 |
166 | N5B | 0.8612 |
167 | C4E | 0.8603 |
168 | 1V8 | 0.8600 |
169 | 8BD | 0.8587 |
170 | NQK | 0.8582 |
171 | J3B | 0.8581 |
172 | H35 | 0.8574 |
173 | AHR AHR | 0.8567 |
174 | 0QA | 0.8566 |
175 | EDZ | 0.8564 |
176 | AZB | 0.8558 |
177 | CWE | 0.8556 |
178 | 25K | 0.8554 |
179 | ZW2 | 0.8549 |
180 | LMZ | 0.8532 |
181 | 6T5 | 0.8530 |
182 | 28C | 0.8517 |
This union binding pocket(no: 1) in the query (biounit: 2vj8.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6Q4R | HJ5 | 24.5499 |