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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 | 6TR7 | ic50 = 37 uM | HWH | C12 H13 F N2 O | CC(=O)NCCc.... |
2 | 6YUY | ic50 = 6.7 uM | PQH | C7 H6 F3 N O2 | Cc1c(cc([n.... |
3 | 6YXI | ic50 = 14 uM | PZ8 | C13 H12 Cl N O2 | Cc1cc(c(n1.... |
4 | 6YV0 | ic50 = 18.6 uM | PQT | C11 H12 Cl N O2 | c1ccc(c(c1.... |
5 | 6R8P | ic50 = 33 uM | JVB | C14 H14 N2 O2 | Cc1ccccc1O.... |
6 | 6TR6 | ic50 = 94 uM | ASE | C12 H14 N2 O2 | CC(=O)NCCc.... |
7 | 6YSK | ic50 = 0.11 uM | PJK | C12 H11 Cl F3 N O2 | c1cc(c(cc1.... |
8 | 6R8R | ic50 = 0.085 uM | JV8 | C18 H16 N2 O2 | Cc1ccccc1O.... |
9 | 6TR5 | ic50 = 75 uM | ML1 | C13 H16 N2 O2 | CC(=O)NCCc.... |
10 | 6TV4 | Kd = 85 uM | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
11 | 4UZL | - | MYZ | C14 H26 O2 | CCCC/C=CCC.... |
12 | 4UZ9 | - | GU4 YYJ | n/a | n/a |
13 | 4UZ6 | - | GU4 YYJ | n/a | n/a |
14 | 4UZQ | - | CYS HIS GLY VAL SER GLY SER CYS PAM | n/a | n/a |
15 | 6YV2 | ic50 = 48 uM | PUE | C11 H13 N O2 | c1ccc(cc1).... |
16 | 6R8Q | ic50 = 0.12 uM | JV5 | C15 H14 N4 O2 | Cc1ccccc1O.... |
17 | 6T2K | - | M9K | C11 H9 Cl N2 O2 S2 | c1nc2c(c(s.... |
18 | 6T2H | - | M9N | C9 H11 Cl N2 O2 S2 | Cc1c(c2c(s.... |
19 | 6ZVL | ic50 = 18 nM | QR2 | C9 H4 Cl F3 N2 O2 | c1cc(c(cc1.... |
20 | 6YUW | ic50 = 12.7 uM | PQZ | C11 H15 N O2 | Cc1cc(c(n1.... |
21 | 6ZUV | ic50 = 11.5 uM | B1J | C9 H8 Cl N3 O | c1cc(ccc1n.... |
22 | 4UYW | Kd = 6.4 uM | SGN UAP | n/a | n/a |
23 | 6YV4 | ic50 = 6.3 uM | PQK | C10 H13 N O2 | Cc1cc(c(n1.... |
24 | 6TUZ | Kd = 6.8 mM | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6TR7 | ic50 = 37 uM | HWH | C12 H13 F N2 O | CC(=O)NCCc.... |
2 | 6YUY | ic50 = 6.7 uM | PQH | C7 H6 F3 N O2 | Cc1c(cc([n.... |
3 | 6YXI | ic50 = 14 uM | PZ8 | C13 H12 Cl N O2 | Cc1cc(c(n1.... |
4 | 6YV0 | ic50 = 18.6 uM | PQT | C11 H12 Cl N O2 | c1ccc(c(c1.... |
5 | 6R8P | ic50 = 33 uM | JVB | C14 H14 N2 O2 | Cc1ccccc1O.... |
6 | 6TR6 | ic50 = 94 uM | ASE | C12 H14 N2 O2 | CC(=O)NCCc.... |
7 | 6YSK | ic50 = 0.11 uM | PJK | C12 H11 Cl F3 N O2 | c1cc(c(cc1.... |
8 | 6R8R | ic50 = 0.085 uM | JV8 | C18 H16 N2 O2 | Cc1ccccc1O.... |
9 | 6TR5 | ic50 = 75 uM | ML1 | C13 H16 N2 O2 | CC(=O)NCCc.... |
10 | 6TV4 | Kd = 85 uM | CFF | C8 H10 N4 O2 | Cn1cnc2c1C.... |
11 | 4UZL | - | MYZ | C14 H26 O2 | CCCC/C=CCC.... |
12 | 4UZ9 | - | GU4 YYJ | n/a | n/a |
13 | 4UZ6 | - | GU4 YYJ | n/a | n/a |
14 | 4UZQ | - | CYS HIS GLY VAL SER GLY SER CYS PAM | n/a | n/a |
15 | 6YV2 | ic50 = 48 uM | PUE | C11 H13 N O2 | c1ccc(cc1).... |
16 | 6R8Q | ic50 = 0.12 uM | JV5 | C15 H14 N4 O2 | Cc1ccccc1O.... |
17 | 6T2K | - | M9K | C11 H9 Cl N2 O2 S2 | c1nc2c(c(s.... |
18 | 6T2H | - | M9N | C9 H11 Cl N2 O2 S2 | Cc1c(c2c(s.... |
19 | 6ZVL | ic50 = 18 nM | QR2 | C9 H4 Cl F3 N2 O2 | c1cc(c(cc1.... |
20 | 6YUW | ic50 = 12.7 uM | PQZ | C11 H15 N O2 | Cc1cc(c(n1.... |
21 | 6ZUV | ic50 = 11.5 uM | B1J | C9 H8 Cl N3 O | c1cc(ccc1n.... |
22 | 4UYW | Kd = 6.4 uM | SGN UAP | n/a | n/a |
23 | 6YV4 | ic50 = 6.3 uM | PQK | C10 H13 N O2 | Cc1cc(c(n1.... |
24 | 6TUZ | Kd = 6.8 mM | TEP | C7 H8 N4 O2 | CN1c2c([nH.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | M9N | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | CX4 | 0.9257 |
2 | EYM | 0.9156 |
3 | IOP | 0.9147 |
4 | 34L | 0.9118 |
5 | ET0 | 0.9080 |
6 | 22L | 0.9064 |
7 | EYA | 0.9048 |
8 | F5C | 0.9021 |
9 | 9BF | 0.9019 |
10 | HWH | 0.8986 |
11 | R4E | 0.8977 |
12 | 67Y | 0.8977 |
13 | PLP | 0.8970 |
14 | SU9 | 0.8966 |
15 | DDC | 0.8956 |
16 | EY7 | 0.8941 |
17 | O2Y | 0.8941 |
18 | ASE | 0.8939 |
19 | ZIP | 0.8937 |
20 | JTF | 0.8937 |
21 | 1X8 | 0.8936 |
22 | 9F8 | 0.8929 |
23 | 2GQ | 0.8924 |
24 | 3GX | 0.8922 |
25 | TRP | 0.8909 |
26 | 28S | 0.8893 |
27 | YEX | 0.8892 |
28 | 0H5 | 0.8890 |
29 | 5WM | 0.8890 |
30 | MBP | 0.8888 |
31 | PMP | 0.8885 |
32 | 57D | 0.8884 |
33 | 52F | 0.8879 |
34 | 2UD | 0.8876 |
35 | YE7 | 0.8866 |
36 | 1FE | 0.8863 |
37 | 5NN | 0.8852 |
38 | OTA | 0.8851 |
39 | GJK | 0.8851 |
40 | AXX | 0.8833 |
41 | KOM | 0.8833 |
42 | F40 | 0.8824 |
43 | 54X | 0.8824 |
44 | AMR | 0.8817 |
45 | 7I2 | 0.8812 |
46 | 1QV | 0.8810 |
47 | FER | 0.8810 |
48 | OPA | 0.8803 |
49 | 64F | 0.8796 |
50 | NPL | 0.8789 |
51 | 4B0 | 0.8788 |
52 | ML1 | 0.8786 |
53 | 5P3 | 0.8784 |
54 | DXK | 0.8779 |
55 | Q5M | 0.8779 |
56 | SRO | 0.8777 |
57 | JY2 | 0.8775 |
58 | BHF | 0.8773 |
59 | 3D8 | 0.8770 |
60 | 39Z | 0.8759 |
61 | SXX | 0.8756 |
62 | 8RK | 0.8752 |
63 | M9K | 0.8752 |
64 | VM1 | 0.8750 |
65 | MFZ | 0.8749 |
66 | H35 | 0.8748 |
67 | LTN | 0.8745 |
68 | ONZ | 0.8738 |
69 | A73 | 0.8738 |
70 | JHY | 0.8734 |
71 | 3JC | 0.8734 |
72 | 3WL | 0.8726 |
73 | 47V | 0.8724 |
74 | DFL | 0.8723 |
75 | 7L4 | 0.8722 |
76 | ALN | 0.8722 |
77 | WLH | 0.8720 |
78 | AGI | 0.8720 |
79 | 6XC | 0.8715 |
80 | 2JK | 0.8715 |
81 | 1V1 | 0.8714 |
82 | G6P | 0.8712 |
83 | LF5 | 0.8710 |
84 | ZEA | 0.8709 |
85 | PXP | 0.8707 |
86 | 2T4 | 0.8701 |
87 | B0K | 0.8701 |
88 | 3IL | 0.8698 |
89 | 7M5 | 0.8693 |
90 | CIY | 0.8681 |
91 | L07 | 0.8676 |
92 | X0T | 0.8674 |
93 | X8E | 0.8673 |
94 | BK9 | 0.8671 |
95 | C4E | 0.8670 |
96 | P4L | 0.8668 |
97 | AZY | 0.8660 |
98 | 3SU | 0.8653 |
99 | 1QP | 0.8652 |
100 | B2E | 0.8650 |
101 | EXL | 0.8650 |
102 | VT3 | 0.8647 |
103 | 1V3 | 0.8643 |
104 | KMP | 0.8643 |
105 | 9JT | 0.8642 |
106 | 4Z9 | 0.8640 |
107 | HA6 | 0.8639 |
108 | 7M2 | 0.8637 |
109 | C9E | 0.8633 |
110 | TQ1 | 0.8627 |
111 | 1V4 | 0.8625 |
112 | 6DQ | 0.8624 |
113 | DX2 | 0.8624 |
114 | 5FL | 0.8622 |
115 | BB4 | 0.8621 |
116 | PIQ | 0.8621 |
117 | 5F5 | 0.8614 |
118 | 64E | 0.8612 |
119 | QR2 | 0.8609 |
120 | EVO | 0.8609 |
121 | 5E5 | 0.8608 |
122 | BG6 | 0.8607 |
123 | 78P | 0.8605 |
124 | 5V7 | 0.8605 |
125 | N7I | 0.8602 |
126 | 5F8 | 0.8600 |
127 | TCR | 0.8588 |
128 | CDJ | 0.8582 |
129 | 5WS | 0.8580 |
130 | HMZ | 0.8579 |
131 | HH6 | 0.8577 |
132 | SZ5 | 0.8573 |
133 | JXT | 0.8566 |
134 | SNY | 0.8560 |
135 | DHC | 0.8559 |
136 | EMU | 0.8557 |
137 | 3F4 | 0.8556 |
138 | 2AN | 0.8551 |
139 | LR2 | 0.8549 |
140 | UXH | 0.8532 |
141 | ZHA | 0.8531 |
142 | AC2 | 0.8526 |
143 | NBV | 0.8525 |
144 | EBQ | 0.8521 |
This union binding pocket(no: 1) in the query (biounit: 6zvl.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |