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- 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 20 families. | |||||
1 | 4CJU | - | JNS | C16 H12 O4 | c1ccc(cc1).... |
2 | 6VLM | ic50 = 10 uM | R2D | C17 H11 Cl N2 O2 S | c1ccc2c(c1.... |
3 | 4CEB | Kd = 1080 uM | ZSV | C32 H35 N2 O8 | COc1ccc(cc.... |
4 | 3AVG | - | ALA ASP LYS ILE ASP ASN LEU ASP | n/a | n/a |
5 | 4CIE | - | Y7N | C24 H26 N2 O5 | c1ccc2c(c1.... |
6 | 4LH5 | ic50 = 0.23 uM | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
7 | 5OI8 | ic50 = 0.21 uM | 9VN | C24 H31 N O3 S | Cc1c(c(c(s.... |
8 | 3NFA | - | CBJ | C18 H12 Br N O6 | c1cc2c(cc1.... |
9 | 3ZSZ | - | OM2 | C22 H27 N2 O5 | CC[C@H](C).... |
10 | 4DMN | ic50 = 2.3 uM | 0L9 | C19 H15 Br Cl N O3 | Cc1c(c(c2c.... |
11 | 3L3V | - | GLC FRU | n/a | n/a |
12 | 4CJL | - | 9PA | C20 H30 N2 O5 | CC(C)C[C@@.... |
13 | 3AVA | ic50 = 39.7 uM | ALA LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
14 | 4CF0 | - | O5U | C28 H34 N2 O7 | c1ccc2c(c1.... |
15 | 4AHT | - | Q6T | C8 H6 O4 | c1cc(c2c(c.... |
16 | 4O5B | - | LF9 | C26 H26 Cl N3 O3 | Cc1c(c(c(n.... |
17 | 4CER | - | VL4 | C27 H32 N2 O7 | CN(Cc1cccc.... |
18 | 4CFA | - | WOP | C26 H25 N3 O6 | CN(Cc1ccc2.... |
19 | 4CJT | - | HLR | C7 H6 N2 O | c1ccc2c(c1.... |
20 | 4CJ3 | - | E4F | C23 H26 N2 O5 | c1ccc2c(c1.... |
21 | 4CGF | - | UJ6 | C17 H13 N O5 | c1ccc2c(c1.... |
22 | 4CJF | - | RVN | C17 H11 N O5 | c1ccc2c(c1.... |
23 | 5KGW | - | 7SK | C24 H27 N O4 | CC(C)(C)O[.... |
24 | 3ZSW | - | ZSW | C28 H35 N2 O7 | CC[C@@H](C.... |
25 | 4O55 | ic50 = 5.03 uM | LF9 | C26 H26 Cl N3 O3 | Cc1c(c(c(n.... |
26 | 4E1N | ic50 = 19 nM | TQX | C26 H28 F N O4 | Cc1c(cc(c2.... |
27 | 4CEO | - | G0T | C30 H32 N2 O8 | CN(Cc1cccc.... |
28 | 3NF7 | ic50 = 340 uM | CIW | C17 H12 Cl N O5 | c1cc2c(cc1.... |
29 | 3AO2 | Kd = 0.17 mM | AVX | C11 H10 Br N3 O2 | Cn1c(cc(n1.... |
30 | 3ZT4 | Kd = 1375 uM | ZT2 | C18 H12 O5 | c1ccc2c(c1.... |
31 | 4OVL | - | 1TD | C16 H11 N O3 | c1ccc2c(c1.... |
32 | 5KRS | - | 6XI | C9 H7 N O2 S | c1ccn(c1)c.... |
33 | 3AVN | - | SER HIS LYS ILE ASP ASN LEU ASP | n/a | n/a |
34 | 4CHY | - | C5Q | C17 H13 N O4 | c1ccc2c(c1.... |
35 | 3ZSR | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
36 | 4CGI | Kd = 752 uM | NZL | C24 H28 N2 O5 | c1ccc2c(c1.... |
37 | 3VQE | - | FMQ | C11 H11 F N2 O | Cc1c(cnn1c.... |
38 | 3AVI | - | SER LEU LYS ILE ASP ASN MET ASP | n/a | n/a |
39 | 3VQP | - | DBJ | C9 H10 O3 | c1cc(c2c(c.... |
40 | 4CK2 | - | NVU | C9 H7 N O3 | c1ccc2c(c1.... |
41 | 4CJW | - | CBJ | C18 H12 Br N O6 | c1cc2c(cc1.... |
42 | 3VQ7 | - | GLC FRU | n/a | n/a |
43 | 6NCJ | ic50 = 0.024 uM | KJJ | C35 H41 F N2 O4 | Cc1c(cc(c2.... |
44 | 4CES | - | NFW | C27 H28 N2 O8 | CN(Cc1cccc.... |
45 | 4CF2 | - | 3GM | C26 H30 N2 O7 | c1ccc2c(c1.... |
46 | 3AVH | - | ALA ARG LYS ILE ASP ASN LEU ASP | n/a | n/a |
47 | 3ZSX | - | N44 | C27 H25 N2 O5 | C=CCN(Cc1c.... |
48 | 3AVC | - | SER ASP LYS ILE ASP ASN LEU ASP | n/a | n/a |
49 | 4O0J | ic50 = 13 uM | LF8 | C27 H30 Cl N O3 | Cc1ccc(cc1.... |
50 | 3AVM | - | SER ARG LYS ILE ASP ASN LEU ASP | n/a | n/a |
51 | 4AHU | - | ICO | C9 H7 N O2 | c1ccc2c(c1.... |
52 | 5KRT | - | 6W6 | C9 H5 Cl2 N O2 S | c1cc(n(c1C.... |
53 | 3AVB | ic50 = 85.2 uM | SER LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
54 | 4CJR | Kd = 793 uM | FYM | C27 H28 N2 O7 | CN(Cc1cccc.... |
55 | 4AHS | - | AKH | C9 H6 O3 | c1cc2ccoc2.... |
56 | 4CIF | - | JDX | C26 H28 N2 O5 | CN(Cc1cccc.... |
57 | 3VQ6 | - | BCK | C11 H12 N2 O | Cn1c(c(cn1.... |
58 | 3ZT0 | Kd = 595 nM | ZT0 | C26 H27 N2 O6 | C[NH+](Cc1.... |
59 | 3AO5 | Kd = 5.9 mM | BBY | C11 H10 Br N3 O2 | Cn1c(cc(n1.... |
60 | 4NYF | Kd = 49 nM | 4BI | C22 H22 Cl N O3 | Cc1c(c(c2c.... |
61 | 4CK3 | Kd = 268 uM | K1T | C19 H28 N2 O5 | CC(C)C[C@@.... |
62 | 4CEE | - | B0T | C26 H32 N2 O7 | CC[C@H](C).... |
63 | 4AH9 | - | 0MB | C13 H16 N4 S | c1ccc(cc1).... |
64 | 4TSX | Kd = 10.3 uM | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
65 | 4CJQ | Kd = 256 uM | VXO | C25 H28 N2 O5 | CC(C)C[C@@.... |
66 | 5OI5 | ic50 = 0.19 uM | 9VK | C24 H31 N O3 S | Cc1c(c(c(s.... |
67 | 1HYZ | ic50 = 380 uM | TTO | C24 H20 As O2 | c1ccc(cc1).... |
68 | 4CF1 | - | IY7 | C27 H32 N2 O7 | c1ccc2c(c1.... |
69 | 4CE9 | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
70 | 3AO4 | Kd = 8.5 mM | 833 | C11 H11 N3 O2 | Cn1c(cc(n1.... |
71 | 3ZT2 | Kd = 1375 uM | ZT2 | C18 H12 O5 | c1ccc2c(c1.... |
72 | 4CFB | - | OM3 | C25 H31 N2 O5 | C[N@H+](Cc.... |
73 | 3VQD | - | MOK | C11 H9 N O3 | Cc1c(c(no1.... |
74 | 4CHP | - | IMV | C17 H13 N O5 | c1ccc2c(c1.... |
75 | 3ZT1 | - | OM1 | C25 H25 N2 O6 | COc1ccc(cc.... |
76 | 3VQ9 | - | FBB | C7 H5 F N2 S | c1cc2c(cc1.... |
77 | 3VQC | - | MPK | C11 H11 N O2 | Cc1c(c(no1.... |
78 | 3ZSV | - | ZSV | C32 H35 N2 O8 | COc1ccc(cc.... |
79 | 4CJP | - | 4D2 | C21 H24 N2 O5 | CC(C)C[C@@.... |
80 | 4CGG | - | K5Q | C22 H19 N O7 | c1ccc2c(c1.... |
81 | 6NUJ | - | L3D | C27 H26 N2 O4 | Cc1c(c(c2c.... |
82 | 4CFC | - | 7NV | C23 H27 N3 O6 | CCCCNC(=O).... |
83 | 4CEF | - | D0T | C29 H30 N2 O7 | CN(Cc1cccc.... |
84 | 3AO1 | Kd = 5.5 mM | BZX | C7 H6 O3 | c1cc2c(cc1.... |
85 | 3ZT3 | Kd = 1435 uM | ZT4 | C18 H14 O5 | c1ccc2c(c1.... |
86 | 4CHO | - | U2Z | C12 H15 N3 O | Cc1cc(nn1c.... |
87 | 3NF9 | ic50 = 290 uM | CD9 | C17 H12 Cl N O5 | c1cc2c(cc1.... |
88 | 1HYV | ic50 > 5 mM | TTA | C24 H20 As | c1ccc(cc1).... |
89 | 3ZSQ | Kd = 10.9 uM | O4N | C31 H34 N2 O6 | CCC[C@@H](.... |
90 | 4CGD | - | 8P3 | C16 H13 N O3 | c1ccc2c(c1.... |
91 | 4CF9 | - | 5EY | C22 H20 O7 | c1ccc2c(c1.... |
92 | 3AVK | - | SER LEU LYS ILE ASP ASN GLU ASP | n/a | n/a |
93 | 4CEC | - | 2SS | C29 H34 N2 O7 | C=CCN(Cc1c.... |
94 | 4CHQ | - | CWU | C18 H16 O5 | c1ccc2c(c1.... |
95 | 5HRR | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
96 | 4CGJ | - | NZL | C24 H28 N2 O5 | c1ccc2c(c1.... |
97 | 3VQB | - | FBG | C9 H7 F O4 | c1c(cc(c2c.... |
98 | 4GVM | ic50 = 1.49 uM | LF2 | C22 H21 Br Cl N O3 | Cc1c(c(c2c.... |
99 | 3VQQ | - | BTE | C6 H5 N3 S | c1cc(c2c(c.... |
100 | 3AVJ | - | ALA LEU LYS ILE ASP ASN MET ASP | n/a | n/a |
101 | 4CFD | - | S8Y | C23 H27 N3 O6 | CC(C)(C)NC.... |
102 | 4JLH | ic50 = 15.6 uM | 0L9 | C19 H15 Br Cl N O3 | Cc1c(c(c2c.... |
103 | 4CJK | - | H39 | C21 H26 N2 O5 | CC(C)C[C@@.... |
104 | 4CF8 | - | V7H | C28 H28 N2 O7 | c1ccc(cc1).... |
105 | 4CK1 | - | OM1 | C25 H25 N2 O6 | COc1ccc(cc.... |
106 | 4CHN | - | ONZ | C10 H9 N O5 | c1cc(c2c(c.... |
107 | 4OJR | - | 2SQ | C26 H28 F N O5 | Cc1c(cc(c2.... |
108 | 4ID1 | - | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
109 | 6UM8 | Ki = 0.17 uM | QCG | C29 H30 F N3 O4 | Cc1c(cc(c2.... |
110 | 3VQ8 | - | BCU | C10 H12 O2 | c1ccc2c(c1.... |
111 | 6LMI | - | EJ9 | C32 H39 N O6 S | Cc1ccc(cc1.... |
112 | 3OVN | Kd = 2.8 mM | MPV | C8 H9 N3 S | Cn1c(cc(n1.... |
113 | 3VQ4 | - | 0NX | C10 H9 N O2 | c1ccc(cc1).... |
114 | 4CHZ | - | H75 | C13 H13 Br N2 O | c1cc(ccc1N.... |
115 | 1QS4 | ic50 = 2.3 uM | 100 | C12 H8 Cl N5 O2 | c1cc2c(cc1.... |
116 | 4CIG | Kd = 214 uM | X0P | C30 H30 N2 O5 | CN(Cc1cccc.... |
117 | 6EB1 | ic50 = 4.65 uM | J3M | C30 H29 N O4 | CC(C)(C)O[.... |
118 | 5HRS | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
119 | 3AV9 | ic50 = 435 uM | SER ALA LYS ILE ASP ASN LEU ASP | n/a | n/a |
120 | 4CED | - | 9NS | C29 H30 N2 O8 | C=CCN(Cc1c.... |
121 | 4CEZ | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
122 | 4AHR | - | I2E | C10 H10 O4 | c1cc2c(cc1.... |
123 | 3ZSO | Kd = 7.6 uM | O2N | C35 H34 N2 O7 | COc1ccc(cc.... |
124 | 5HRP | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
125 | 3AO3 | - | BMC | C12 H10 N2 O4 | Cn1c(cc(n1.... |
126 | 5OI2 | ic50 = 0.17 uM | 9VN | C24 H31 N O3 S | Cc1c(c(c(s.... |
127 | 4CJ4 | Kd = 432 uM | S3G | C21 H24 N2 O5 | CC(C)C[C@@.... |
128 | 4CJS | - | L0Y | C26 H32 N2 O5 | CN(Cc1cccc.... |
129 | 3ZCM | Kd = 519 uM | PX3 | C28 H28 N2 O6 | COc1ccc(cc.... |
130 | 3NF6 | ic50 = 295 uM | IMV | C17 H13 N O5 | c1ccc2c(c1.... |
131 | 4CEA | - | ZSW | C28 H35 N2 O7 | CC[C@@H](C.... |
132 | 4CJE | - | Q31 | C20 H25 N3 O5 | CC(C)C[C@@.... |
133 | 4CJ5 | Kd = 200 uM | 4VW | C22 H26 N2 O5 | CC(C)C[C@@.... |
134 | 3AVL | ic50 = 65.8 uM | ALA THR LYS ILE ASP ASN LEU ASP | n/a | n/a |
135 | 4CGH | - | LOZ | C22 H24 N2 O5 | c1ccc2c(c1.... |
136 | 6LMQ | - | 940 | C31 H38 N2 O6 S | Cc1ccc(cc1.... |
137 | 3NF8 | - | CDQ | C18 H14 Cl N O5 | c1cc2c(cc1.... |
138 | 3VQA | - | MWP | C8 H7 N O2 S | c1cc2c(cc1.... |
139 | 6EB2 | ic50 = 0.48 uM | J3P | C34 H33 N3 O4 | CC(C)(C)O[.... |
140 | 4CJV | - | IV2 | C8 H7 Cl N2 S | Cc1c(ccc2c.... |
141 | 3AVF | ic50 = 295 uM | ASP LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
142 | 5OIA | ic50 = 0.17 uM | 9VK | C24 H31 N O3 S | Cc1c(c(c(s.... |
143 | 3ZSY | - | OM3 | C25 H31 N2 O5 | C[N@H+](Cc.... |
144 | 4CEQ | - | QCH | C29 H36 N2 O7 | CN(Cc1cccc.... |
145 | 3VQ5 | - | MMJ | C12 H14 N2 S | Cc1c(sc(n1.... |
146 | 4AHV | - | Z5P | C10 H11 N3 | c1ccc(c(c1.... |
147 | 4E1M | ic50 = 215 nM | TQ2 | C24 H27 N O3 | Cc1ccc(cc1.... |
148 | 5HRN | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 4CJU | - | JNS | C16 H12 O4 | c1ccc(cc1).... |
2 | 6VLM | ic50 = 10 uM | R2D | C17 H11 Cl N2 O2 S | c1ccc2c(c1.... |
3 | 4CEB | Kd = 1080 uM | ZSV | C32 H35 N2 O8 | COc1ccc(cc.... |
4 | 3AVG | - | ALA ASP LYS ILE ASP ASN LEU ASP | n/a | n/a |
5 | 4CIE | - | Y7N | C24 H26 N2 O5 | c1ccc2c(c1.... |
6 | 4LH5 | ic50 = 0.23 uM | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
7 | 5OI8 | ic50 = 0.21 uM | 9VN | C24 H31 N O3 S | Cc1c(c(c(s.... |
8 | 3NFA | - | CBJ | C18 H12 Br N O6 | c1cc2c(cc1.... |
9 | 3ZSZ | - | OM2 | C22 H27 N2 O5 | CC[C@H](C).... |
10 | 4DMN | ic50 = 2.3 uM | 0L9 | C19 H15 Br Cl N O3 | Cc1c(c(c2c.... |
11 | 3L3V | - | GLC FRU | n/a | n/a |
12 | 4CJL | - | 9PA | C20 H30 N2 O5 | CC(C)C[C@@.... |
13 | 3AVA | ic50 = 39.7 uM | ALA LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
14 | 4CF0 | - | O5U | C28 H34 N2 O7 | c1ccc2c(c1.... |
15 | 4AHT | - | Q6T | C8 H6 O4 | c1cc(c2c(c.... |
16 | 4O5B | - | LF9 | C26 H26 Cl N3 O3 | Cc1c(c(c(n.... |
17 | 4CER | - | VL4 | C27 H32 N2 O7 | CN(Cc1cccc.... |
18 | 4CFA | - | WOP | C26 H25 N3 O6 | CN(Cc1ccc2.... |
19 | 4CJT | - | HLR | C7 H6 N2 O | c1ccc2c(c1.... |
20 | 4CJ3 | - | E4F | C23 H26 N2 O5 | c1ccc2c(c1.... |
21 | 4CGF | - | UJ6 | C17 H13 N O5 | c1ccc2c(c1.... |
22 | 4CJF | - | RVN | C17 H11 N O5 | c1ccc2c(c1.... |
23 | 5KGW | - | 7SK | C24 H27 N O4 | CC(C)(C)O[.... |
24 | 3ZSW | - | ZSW | C28 H35 N2 O7 | CC[C@@H](C.... |
25 | 4O55 | ic50 = 5.03 uM | LF9 | C26 H26 Cl N3 O3 | Cc1c(c(c(n.... |
26 | 4E1N | ic50 = 19 nM | TQX | C26 H28 F N O4 | Cc1c(cc(c2.... |
27 | 4CEO | - | G0T | C30 H32 N2 O8 | CN(Cc1cccc.... |
28 | 3NF7 | ic50 = 340 uM | CIW | C17 H12 Cl N O5 | c1cc2c(cc1.... |
29 | 3AO2 | Kd = 0.17 mM | AVX | C11 H10 Br N3 O2 | Cn1c(cc(n1.... |
30 | 3ZT4 | Kd = 1375 uM | ZT2 | C18 H12 O5 | c1ccc2c(c1.... |
31 | 4OVL | - | 1TD | C16 H11 N O3 | c1ccc2c(c1.... |
32 | 5KRS | - | 6XI | C9 H7 N O2 S | c1ccn(c1)c.... |
33 | 3AVN | - | SER HIS LYS ILE ASP ASN LEU ASP | n/a | n/a |
34 | 4CHY | - | C5Q | C17 H13 N O4 | c1ccc2c(c1.... |
35 | 3ZSR | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
36 | 4CGI | Kd = 752 uM | NZL | C24 H28 N2 O5 | c1ccc2c(c1.... |
37 | 3VQE | - | FMQ | C11 H11 F N2 O | Cc1c(cnn1c.... |
38 | 3AVI | - | SER LEU LYS ILE ASP ASN MET ASP | n/a | n/a |
39 | 3VQP | - | DBJ | C9 H10 O3 | c1cc(c2c(c.... |
40 | 4CK2 | - | NVU | C9 H7 N O3 | c1ccc2c(c1.... |
41 | 4CJW | - | CBJ | C18 H12 Br N O6 | c1cc2c(cc1.... |
42 | 3VQ7 | - | GLC FRU | n/a | n/a |
43 | 6NCJ | ic50 = 0.024 uM | KJJ | C35 H41 F N2 O4 | Cc1c(cc(c2.... |
44 | 4CES | - | NFW | C27 H28 N2 O8 | CN(Cc1cccc.... |
45 | 4CF2 | - | 3GM | C26 H30 N2 O7 | c1ccc2c(c1.... |
46 | 3AVH | - | ALA ARG LYS ILE ASP ASN LEU ASP | n/a | n/a |
47 | 3ZSX | - | N44 | C27 H25 N2 O5 | C=CCN(Cc1c.... |
48 | 3AVC | - | SER ASP LYS ILE ASP ASN LEU ASP | n/a | n/a |
49 | 4O0J | ic50 = 13 uM | LF8 | C27 H30 Cl N O3 | Cc1ccc(cc1.... |
50 | 3AVM | - | SER ARG LYS ILE ASP ASN LEU ASP | n/a | n/a |
51 | 4AHU | - | ICO | C9 H7 N O2 | c1ccc2c(c1.... |
52 | 5KRT | - | 6W6 | C9 H5 Cl2 N O2 S | c1cc(n(c1C.... |
53 | 3AVB | ic50 = 85.2 uM | SER LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
54 | 4CJR | Kd = 793 uM | FYM | C27 H28 N2 O7 | CN(Cc1cccc.... |
55 | 4AHS | - | AKH | C9 H6 O3 | c1cc2ccoc2.... |
56 | 4CIF | - | JDX | C26 H28 N2 O5 | CN(Cc1cccc.... |
57 | 3VQ6 | - | BCK | C11 H12 N2 O | Cn1c(c(cn1.... |
58 | 3ZT0 | Kd = 595 nM | ZT0 | C26 H27 N2 O6 | C[NH+](Cc1.... |
59 | 3AO5 | Kd = 5.9 mM | BBY | C11 H10 Br N3 O2 | Cn1c(cc(n1.... |
60 | 4NYF | Kd = 49 nM | 4BI | C22 H22 Cl N O3 | Cc1c(c(c2c.... |
61 | 4CK3 | Kd = 268 uM | K1T | C19 H28 N2 O5 | CC(C)C[C@@.... |
62 | 4CEE | - | B0T | C26 H32 N2 O7 | CC[C@H](C).... |
63 | 4AH9 | - | 0MB | C13 H16 N4 S | c1ccc(cc1).... |
64 | 4TSX | Kd = 10.3 uM | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
65 | 4CJQ | Kd = 256 uM | VXO | C25 H28 N2 O5 | CC(C)C[C@@.... |
66 | 5OI5 | ic50 = 0.19 uM | 9VK | C24 H31 N O3 S | Cc1c(c(c(s.... |
67 | 1HYZ | ic50 = 380 uM | TTO | C24 H20 As O2 | c1ccc(cc1).... |
68 | 4CF1 | - | IY7 | C27 H32 N2 O7 | c1ccc2c(c1.... |
69 | 4CE9 | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
70 | 3AO4 | Kd = 8.5 mM | 833 | C11 H11 N3 O2 | Cn1c(cc(n1.... |
71 | 3ZT2 | Kd = 1375 uM | ZT2 | C18 H12 O5 | c1ccc2c(c1.... |
72 | 4CFB | - | OM3 | C25 H31 N2 O5 | C[N@H+](Cc.... |
73 | 3VQD | - | MOK | C11 H9 N O3 | Cc1c(c(no1.... |
74 | 4CHP | - | IMV | C17 H13 N O5 | c1ccc2c(c1.... |
75 | 3ZT1 | - | OM1 | C25 H25 N2 O6 | COc1ccc(cc.... |
76 | 3VQ9 | - | FBB | C7 H5 F N2 S | c1cc2c(cc1.... |
77 | 3VQC | - | MPK | C11 H11 N O2 | Cc1c(c(no1.... |
78 | 3ZSV | - | ZSV | C32 H35 N2 O8 | COc1ccc(cc.... |
79 | 4CJP | - | 4D2 | C21 H24 N2 O5 | CC(C)C[C@@.... |
80 | 4CGG | - | K5Q | C22 H19 N O7 | c1ccc2c(c1.... |
81 | 6NUJ | - | L3D | C27 H26 N2 O4 | Cc1c(c(c2c.... |
82 | 4CFC | - | 7NV | C23 H27 N3 O6 | CCCCNC(=O).... |
83 | 4CEF | - | D0T | C29 H30 N2 O7 | CN(Cc1cccc.... |
84 | 3AO1 | Kd = 5.5 mM | BZX | C7 H6 O3 | c1cc2c(cc1.... |
85 | 3ZT3 | Kd = 1435 uM | ZT4 | C18 H14 O5 | c1ccc2c(c1.... |
86 | 4CHO | - | U2Z | C12 H15 N3 O | Cc1cc(nn1c.... |
87 | 3NF9 | ic50 = 290 uM | CD9 | C17 H12 Cl N O5 | c1cc2c(cc1.... |
88 | 1HYV | ic50 > 5 mM | TTA | C24 H20 As | c1ccc(cc1).... |
89 | 3ZSQ | Kd = 10.9 uM | O4N | C31 H34 N2 O6 | CCC[C@@H](.... |
90 | 4CGD | - | 8P3 | C16 H13 N O3 | c1ccc2c(c1.... |
91 | 4CF9 | - | 5EY | C22 H20 O7 | c1ccc2c(c1.... |
92 | 3AVK | - | SER LEU LYS ILE ASP ASN GLU ASP | n/a | n/a |
93 | 4CEC | - | 2SS | C29 H34 N2 O7 | C=CCN(Cc1c.... |
94 | 4CHQ | - | CWU | C18 H16 O5 | c1ccc2c(c1.... |
95 | 5HRR | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
96 | 4CGJ | - | NZL | C24 H28 N2 O5 | c1ccc2c(c1.... |
97 | 3VQB | - | FBG | C9 H7 F O4 | c1c(cc(c2c.... |
98 | 4GVM | ic50 = 1.49 uM | LF2 | C22 H21 Br Cl N O3 | Cc1c(c(c2c.... |
99 | 3VQQ | - | BTE | C6 H5 N3 S | c1cc(c2c(c.... |
100 | 3AVJ | - | ALA LEU LYS ILE ASP ASN MET ASP | n/a | n/a |
101 | 4CFD | - | S8Y | C23 H27 N3 O6 | CC(C)(C)NC.... |
102 | 4JLH | ic50 = 15.6 uM | 0L9 | C19 H15 Br Cl N O3 | Cc1c(c(c2c.... |
103 | 4CJK | - | H39 | C21 H26 N2 O5 | CC(C)C[C@@.... |
104 | 4CF8 | - | V7H | C28 H28 N2 O7 | c1ccc(cc1).... |
105 | 4CK1 | - | OM1 | C25 H25 N2 O6 | COc1ccc(cc.... |
106 | 4CHN | - | ONZ | C10 H9 N O5 | c1cc(c2c(c.... |
107 | 4OJR | - | 2SQ | C26 H28 F N O5 | Cc1c(cc(c2.... |
108 | 4ID1 | - | LF0 | C25 H27 N O4 | Cc1c(c(c2c.... |
109 | 6UM8 | Ki = 0.17 uM | QCG | C29 H30 F N3 O4 | Cc1c(cc(c2.... |
110 | 3VQ8 | - | BCU | C10 H12 O2 | c1ccc2c(c1.... |
111 | 6LMI | - | EJ9 | C32 H39 N O6 S | Cc1ccc(cc1.... |
112 | 3OVN | Kd = 2.8 mM | MPV | C8 H9 N3 S | Cn1c(cc(n1.... |
113 | 3VQ4 | - | 0NX | C10 H9 N O2 | c1ccc(cc1).... |
114 | 4CHZ | - | H75 | C13 H13 Br N2 O | c1cc(ccc1N.... |
115 | 1QS4 | ic50 = 2.3 uM | 100 | C12 H8 Cl N5 O2 | c1cc2c(cc1.... |
116 | 4CIG | Kd = 214 uM | X0P | C30 H30 N2 O5 | CN(Cc1cccc.... |
117 | 6EB1 | ic50 = 4.65 uM | J3M | C30 H29 N O4 | CC(C)(C)O[.... |
118 | 5HRS | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
119 | 3AV9 | ic50 = 435 uM | SER ALA LYS ILE ASP ASN LEU ASP | n/a | n/a |
120 | 4CED | - | 9NS | C29 H30 N2 O8 | C=CCN(Cc1c.... |
121 | 4CEZ | - | O3N | C31 H38 N2 O7 | C=CCN(Cc1c.... |
122 | 4AHR | - | I2E | C10 H10 O4 | c1cc2c(cc1.... |
123 | 3ZSO | Kd = 7.6 uM | O2N | C35 H34 N2 O7 | COc1ccc(cc.... |
124 | 5HRP | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
125 | 3AO3 | - | BMC | C12 H10 N2 O4 | Cn1c(cc(n1.... |
126 | 5OI2 | ic50 = 0.17 uM | 9VN | C24 H31 N O3 S | Cc1c(c(c(s.... |
127 | 4CJ4 | Kd = 432 uM | S3G | C21 H24 N2 O5 | CC(C)C[C@@.... |
128 | 4CJS | - | L0Y | C26 H32 N2 O5 | CN(Cc1cccc.... |
129 | 3ZCM | Kd = 519 uM | PX3 | C28 H28 N2 O6 | COc1ccc(cc.... |
130 | 3NF6 | ic50 = 295 uM | IMV | C17 H13 N O5 | c1ccc2c(c1.... |
131 | 4CEA | - | ZSW | C28 H35 N2 O7 | CC[C@@H](C.... |
132 | 4CJE | - | Q31 | C20 H25 N3 O5 | CC(C)C[C@@.... |
133 | 4CJ5 | Kd = 200 uM | 4VW | C22 H26 N2 O5 | CC(C)C[C@@.... |
134 | 3AVL | ic50 = 65.8 uM | ALA THR LYS ILE ASP ASN LEU ASP | n/a | n/a |
135 | 4CGH | - | LOZ | C22 H24 N2 O5 | c1ccc2c(c1.... |
136 | 6LMQ | - | 940 | C31 H38 N2 O6 S | Cc1ccc(cc1.... |
137 | 3NF8 | - | CDQ | C18 H14 Cl N O5 | c1cc2c(cc1.... |
138 | 3VQA | - | MWP | C8 H7 N O2 S | c1cc2c(cc1.... |
139 | 6EB2 | ic50 = 0.48 uM | J3P | C34 H33 N3 O4 | CC(C)(C)O[.... |
140 | 4CJV | - | IV2 | C8 H7 Cl N2 S | Cc1c(ccc2c.... |
141 | 3AVF | ic50 = 295 uM | ASP LEU LYS ILE ASP ASN LEU ASP | n/a | n/a |
142 | 5OIA | ic50 = 0.17 uM | 9VK | C24 H31 N O3 S | Cc1c(c(c(s.... |
143 | 3ZSY | - | OM3 | C25 H31 N2 O5 | C[N@H+](Cc.... |
144 | 4CEQ | - | QCH | C29 H36 N2 O7 | CN(Cc1cccc.... |
145 | 3VQ5 | - | MMJ | C12 H14 N2 S | Cc1c(sc(n1.... |
146 | 4AHV | - | Z5P | C10 H11 N3 | c1ccc(c(c1.... |
147 | 4E1M | ic50 = 215 nM | TQ2 | C24 H27 N O3 | Cc1ccc(cc1.... |
148 | 5HRN | - | 65P | C31 H32 F2 N2 O4 | Cc1c(ccc2c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC FRU | 1 | 1 |
2 | GLC FRU GLA | 0.761905 | 0.972973 |
3 | FRU GLC GLA | 0.5 | 0.921053 |
4 | GLC FRU GLA GLA GLA | 0.492958 | 0.921053 |
5 | GLC FRU GLA GLA | 0.492958 | 0.921053 |
6 | GLC FRU FRU FRU | 0.492958 | 0.921053 |
7 | ZEE UEA FRU FRU FRU | 0.492958 | 0.921053 |
8 | GLC FRU FRU | 0.457143 | 0.921053 |
9 | ARA TT7 4GL | 0.445783 | 0.744681 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MSR | 1.0000 |
2 | TZF | 1.0000 |
3 | C1M | 1.0000 |
4 | CPZ | 1.0000 |
5 | A5E | 0.9944 |
6 | 36Y | 0.9936 |
7 | PIM | 0.9819 |
8 | PIY | 0.9755 |
9 | BNL | 0.9748 |
10 | KTJ | 0.9743 |
11 | HDH | 0.9734 |
12 | TYL | 0.9722 |
13 | 1Z6 | 0.9704 |
14 | 0BP | 0.9701 |
15 | HNH | 0.9685 |
16 | 2QC | 0.9665 |
17 | J9N | 0.9662 |
18 | 5LA | 0.9659 |
19 | BZ2 | 0.9656 |
20 | F4E | 0.9640 |
21 | GVY | 0.9619 |
22 | ICB | 0.9614 |
23 | 92G | 0.9614 |
24 | AOT | 0.9601 |
25 | 4WL | 0.9590 |
26 | CH9 | 0.9586 |
27 | 4ZA | 0.9580 |
28 | J9Q | 0.9576 |
29 | 7VP | 0.9573 |
30 | HX4 | 0.9573 |
31 | TCA | 0.9559 |
32 | 4BZ | 0.9558 |
33 | HNK | 0.9557 |
34 | CWJ | 0.9554 |
35 | 94W | 0.9552 |
36 | ESX | 0.9552 |
37 | M3H | 0.9551 |
38 | AN3 | 0.9538 |
39 | 4BY | 0.9532 |
40 | X48 | 0.9531 |
41 | 4P5 | 0.9530 |
42 | 6KT | 0.9530 |
43 | 36E | 0.9528 |
44 | IWT | 0.9527 |
45 | BP7 | 0.9525 |
46 | HHH | 0.9512 |
47 | 97T | 0.9512 |
48 | UNJ | 0.9503 |
49 | HNL | 0.9496 |
50 | 3ZB | 0.9495 |
51 | 4BL | 0.9494 |
52 | 2HC | 0.9492 |
53 | ANN | 0.9482 |
54 | 6TZ | 0.9474 |
55 | M6H | 0.9469 |
56 | SWX | 0.9467 |
57 | 80G | 0.9467 |
58 | 3A9 | 0.9467 |
59 | PO6 | 0.9466 |
60 | JAH | 0.9465 |
61 | R20 | 0.9465 |
62 | HIS | 0.9465 |
63 | 5NI | 0.9464 |
64 | GVG | 0.9463 |
65 | 2HU | 0.9460 |
66 | PNZ | 0.9457 |
67 | 363 | 0.9457 |
68 | 6NI | 0.9453 |
69 | C82 | 0.9452 |
70 | XCG | 0.9451 |
71 | PPY | 0.9451 |
72 | HQJ | 0.9451 |
73 | PHB | 0.9450 |
74 | 1IT | 0.9449 |
75 | OTR | 0.9448 |
76 | 0HO | 0.9447 |
77 | 1F1 | 0.9446 |
78 | GZ2 | 0.9446 |
79 | HC4 | 0.9445 |
80 | 6NT | 0.9444 |
81 | E3X | 0.9443 |
82 | 0HN | 0.9442 |
83 | 4LW | 0.9440 |
84 | DE5 | 0.9438 |
85 | HBD | 0.9438 |
86 | C53 | 0.9437 |
87 | 9CA | 0.9434 |
88 | NCT | 0.9434 |
89 | 50C | 0.9433 |
90 | M45 | 0.9428 |
91 | XIZ | 0.9427 |
92 | XDK | 0.9426 |
93 | L5V | 0.9426 |
94 | RA7 | 0.9425 |
95 | PJW | 0.9424 |
96 | E5X | 0.9423 |
97 | N2Z | 0.9423 |
98 | MPV | 0.9422 |
99 | PH3 | 0.9420 |
100 | 52C | 0.9416 |
101 | 3NY | 0.9416 |
102 | 3VS | 0.9413 |
103 | GO2 | 0.9411 |
104 | 2ZM | 0.9408 |
105 | 4NB | 0.9402 |
106 | HHI | 0.9401 |
107 | MQN | 0.9400 |
108 | 4MA | 0.9400 |
109 | 7O4 | 0.9398 |
110 | BPN | 0.9398 |
111 | PAB | 0.9395 |
112 | 4JQ | 0.9392 |
113 | I3E | 0.9392 |
114 | PHU | 0.9390 |
115 | 9FL | 0.9390 |
116 | FBB | 0.9390 |
117 | OQC | 0.9388 |
118 | K2T | 0.9388 |
119 | ABI | 0.9388 |
120 | GWM | 0.9387 |
121 | JRB | 0.9386 |
122 | P81 | 0.9382 |
123 | JDN | 0.9381 |
124 | M4T | 0.9380 |
125 | SNO | 0.9379 |
126 | 6SD | 0.9378 |
127 | TYR | 0.9376 |
128 | S0E | 0.9374 |
129 | JB8 | 0.9374 |
130 | 1Y6 | 0.9373 |
131 | BZ3 | 0.9372 |
132 | AKG | 0.9371 |
133 | 1A7 | 0.9369 |
134 | SQ4 | 0.9362 |
135 | FZM | 0.9361 |
136 | NPO | 0.9361 |
137 | OGA | 0.9358 |
138 | E1T | 0.9357 |
139 | 15N | 0.9357 |
140 | BPY | 0.9355 |
141 | 0TU | 0.9353 |
142 | X0U | 0.9353 |
143 | L99 | 0.9352 |
144 | 2F6 | 0.9352 |
145 | 4HB | 0.9351 |
146 | 9R5 | 0.9348 |
147 | 2HG | 0.9347 |
148 | ESP | 0.9342 |
149 | URO | 0.9341 |
150 | LQ2 | 0.9340 |
151 | PBZ | 0.9338 |
152 | 826 | 0.9333 |
153 | 0JD | 0.9331 |
154 | AMS | 0.9331 |
155 | JF6 | 0.9331 |
156 | S2G | 0.9329 |
157 | 6FZ | 0.9323 |
158 | 3AE | 0.9322 |
159 | VC3 | 0.9322 |
160 | EN1 | 0.9317 |
161 | TMG | 0.9314 |
162 | FHC | 0.9313 |
163 | FBF | 0.9313 |
164 | LR5 | 0.9311 |
165 | NFA | 0.9308 |
166 | 492 | 0.9308 |
167 | 2FY | 0.9307 |
168 | TSU | 0.9306 |
169 | AMH | 0.9306 |
170 | Z82 | 0.9303 |
171 | INO | 0.9303 |
172 | L22 | 0.9302 |
173 | SW7 | 0.9301 |
174 | ENO | 0.9301 |
175 | 1M2 | 0.9300 |
176 | 174 | 0.9300 |
177 | TYE | 0.9296 |
178 | P72 | 0.9294 |
179 | HFA | 0.9293 |
180 | N3W | 0.9293 |
181 | 6FB | 0.9293 |
182 | 8ZE | 0.9293 |
183 | ET2 | 0.9292 |
184 | TIU | 0.9292 |
185 | S7J | 0.9290 |
186 | 4V2 | 0.9290 |
187 | PHE | 0.9289 |
188 | 4YO | 0.9286 |
189 | 5OB | 0.9285 |
190 | 173 | 0.9283 |
191 | ODO | 0.9282 |
192 | 0NX | 0.9281 |
193 | MS9 | 0.9276 |
194 | JLZ | 0.9274 |
195 | DTY | 0.9272 |
196 | J6W | 0.9271 |
197 | ESI | 0.9271 |
198 | 3PF | 0.9270 |
199 | PFF | 0.9270 |
200 | 4I8 | 0.9269 |
201 | A29 | 0.9269 |
202 | 12T | 0.9264 |
203 | 15E | 0.9263 |
204 | RNO | 0.9258 |
205 | DHB | 0.9255 |
206 | JAW | 0.9255 |
207 | EOU | 0.9255 |
208 | PHI | 0.9254 |
209 | K34 | 0.9251 |
210 | CLW | 0.9251 |
211 | M4S | 0.9250 |
212 | D48 | 0.9249 |
213 | FBS | 0.9248 |
214 | KDG | 0.9248 |
215 | L03 | 0.9247 |
216 | CFI | 0.9247 |
217 | 9FH | 0.9246 |
218 | 36R | 0.9245 |
219 | BHO | 0.9245 |
220 | 428 | 0.9243 |
221 | 3R4 | 0.9243 |
222 | NNO | 0.9242 |
223 | TT4 | 0.9241 |
224 | FCR | 0.9241 |
225 | ISZ | 0.9241 |
226 | EVF | 0.9240 |
227 | HXY | 0.9239 |
228 | AC6 | 0.9237 |
229 | 5QY | 0.9237 |
230 | BZE | 0.9233 |
231 | 1XA | 0.9231 |
232 | SQ7 | 0.9230 |
233 | 3VQ | 0.9229 |
234 | ZYR | 0.9225 |
235 | YZM | 0.9224 |
236 | XIY | 0.9224 |
237 | ES2 | 0.9222 |
238 | 4FA | 0.9220 |
239 | YRL | 0.9219 |
240 | HIC | 0.9218 |
241 | 8WO | 0.9217 |
242 | 6RQ | 0.9217 |
243 | RUY | 0.9217 |
244 | ALE | 0.9214 |
245 | AEG | 0.9211 |
246 | FDR | 0.9209 |
247 | 9ZE | 0.9208 |
248 | FHB | 0.9208 |
249 | A7H | 0.9208 |
250 | E7S | 0.9207 |
251 | HCI | 0.9203 |
252 | 4A3 | 0.9201 |
253 | 4BF | 0.9198 |
254 | JG8 | 0.9196 |
255 | 2BG | 0.9196 |
256 | KBZ | 0.9196 |
257 | ZEC | 0.9196 |
258 | B1J | 0.9193 |
259 | 5VL | 0.9192 |
260 | TPA | 0.9191 |
261 | IHB | 0.9190 |
262 | CHB | 0.9190 |
263 | BZJ | 0.9189 |
264 | LNR | 0.9189 |
265 | ODK | 0.9186 |
266 | 1HN | 0.9186 |
267 | 4NC | 0.9183 |
268 | S2P | 0.9182 |
269 | 1L5 | 0.9182 |
270 | KDV | 0.9181 |
271 | LJ3 | 0.9181 |
272 | 61M | 0.9181 |
273 | HL4 | 0.9181 |
274 | 5XC | 0.9180 |
275 | 268 | 0.9179 |
276 | TGX | 0.9178 |
277 | 4NM | 0.9177 |
278 | GF4 | 0.9177 |
279 | 4J8 | 0.9176 |
280 | GUA | 0.9175 |
281 | N2I | 0.9172 |
282 | 3HM | 0.9171 |
283 | DHI | 0.9167 |
284 | CK2 | 0.9166 |
285 | GJP | 0.9163 |
286 | 4JC | 0.9162 |
287 | 5VM | 0.9162 |
288 | LVD | 0.9160 |
289 | 1WC | 0.9160 |
290 | XX2 | 0.9158 |
291 | EXD | 0.9157 |
292 | 2BX | 0.9155 |
293 | PAC | 0.9153 |
294 | 1FD | 0.9152 |
295 | TIH | 0.9152 |
296 | 4RU | 0.9152 |
297 | 93K | 0.9152 |
298 | 5TY | 0.9151 |
299 | 2HO | 0.9151 |
300 | I1E | 0.9151 |
301 | SAN | 0.9150 |
302 | QIV | 0.9149 |
303 | D3G | 0.9148 |
304 | X0V | 0.9148 |
305 | A9P | 0.9148 |
306 | P9P | 0.9148 |
307 | BEA | 0.9147 |
308 | FBM | 0.9146 |
309 | G14 | 0.9140 |
310 | GLN | 0.9139 |
311 | 8XL | 0.9139 |
312 | BVA | 0.9138 |
313 | L13 | 0.9137 |
314 | L14 | 0.9134 |
315 | MAJ | 0.9134 |
316 | SN4 | 0.9134 |
317 | VGD | 0.9127 |
318 | RAT | 0.9126 |
319 | 1A5 | 0.9126 |
320 | LR8 | 0.9125 |
321 | M5E | 0.9125 |
322 | MPK | 0.9125 |
323 | G3E | 0.9123 |
324 | MYJ | 0.9122 |
325 | LFC | 0.9116 |
326 | NIZ | 0.9116 |
327 | 795 | 0.9116 |
328 | 56D | 0.9116 |
329 | 657 | 0.9115 |
330 | SHI | 0.9115 |
331 | DC5 | 0.9113 |
332 | DZA | 0.9113 |
333 | SLS | 0.9112 |
334 | 1P8 | 0.9112 |
335 | 6QF | 0.9110 |
336 | OKG | 0.9110 |
337 | CXP | 0.9108 |
338 | 152 | 0.9108 |
339 | P9E | 0.9107 |
340 | 4NZ | 0.9106 |
341 | AAS | 0.9104 |
342 | J5I | 0.9104 |
343 | NFM | 0.9102 |
344 | CCU | 0.9102 |
345 | PQM | 0.9102 |
346 | J9T | 0.9101 |
347 | CXH | 0.9099 |
348 | 0F9 | 0.9099 |
349 | IFP | 0.9098 |
350 | 8NB | 0.9096 |
351 | SE2 | 0.9096 |
352 | RKV | 0.9095 |
353 | BQ2 | 0.9094 |
354 | 9TW | 0.9093 |
355 | 6P3 | 0.9092 |
356 | 259 | 0.9089 |
357 | LO1 | 0.9089 |
358 | DPN | 0.9086 |
359 | SYV | 0.9084 |
360 | 3YP | 0.9083 |
361 | EUE | 0.9083 |
362 | 92P | 0.9081 |
363 | F9P | 0.9081 |
364 | 03V | 0.9080 |
365 | OK7 | 0.9079 |
366 | QSB | 0.9078 |
367 | GLU | 0.9077 |
368 | 2IT | 0.9077 |
369 | GGL | 0.9077 |
370 | FK8 | 0.9077 |
371 | IV2 | 0.9077 |
372 | GJZ | 0.9076 |
373 | ZZA | 0.9074 |
374 | CFA | 0.9074 |
375 | FUD | 0.9073 |
376 | F9Y | 0.9073 |
377 | OOG | 0.9072 |
378 | S0D | 0.9072 |
379 | K4V | 0.9071 |
380 | UA5 | 0.9071 |
381 | ONR | 0.9069 |
382 | AA | 0.9069 |
383 | 36M | 0.9068 |
384 | ANC | 0.9067 |
385 | MAH | 0.9066 |
386 | DHC | 0.9065 |
387 | 7MW | 0.9065 |
388 | DRG | 0.9064 |
389 | 4HP | 0.9064 |
390 | 86J | 0.9063 |
391 | 4LV | 0.9062 |
392 | B40 | 0.9062 |
393 | 88L | 0.9059 |
394 | TTL | 0.9059 |
395 | 344 | 0.9056 |
396 | JB5 | 0.9051 |
397 | DHR | 0.9051 |
398 | SOR | 0.9051 |
399 | P7Y | 0.9050 |
400 | LDP | 0.9049 |
401 | 4FS | 0.9049 |
402 | 2HQ | 0.9049 |
403 | P80 | 0.9047 |
404 | ES5 | 0.9046 |
405 | H42 | 0.9046 |
406 | DDU | 0.9045 |
407 | 9ON | 0.9044 |
408 | 27B | 0.9044 |
409 | E4P | 0.9043 |
410 | OCH | 0.9043 |
411 | 8NX | 0.9042 |
412 | EQW | 0.9041 |
413 | KTA | 0.9040 |
414 | NAG | 0.9039 |
415 | HA5 | 0.9038 |
416 | 2K8 | 0.9038 |
417 | C2Y | 0.9037 |
418 | 8HC | 0.9037 |
419 | H4E | 0.9031 |
420 | 4TU | 0.9031 |
421 | AEF | 0.9031 |
422 | DGL | 0.9030 |
423 | 2AQ | 0.9030 |
424 | 3QV | 0.9029 |
425 | COU | 0.9028 |
426 | AHN | 0.9027 |
427 | 0FK | 0.9026 |
428 | HPS | 0.9025 |
429 | PKU | 0.9025 |
430 | PCS | 0.9023 |
431 | K97 | 0.9021 |
432 | XDE | 0.9019 |
433 | HPP | 0.9019 |
434 | 5OO | 0.9019 |
435 | DGN | 0.9018 |
436 | 258 | 0.9018 |
437 | 39O | 0.9018 |
438 | ANF | 0.9016 |
439 | R2P | 0.9015 |
440 | AES | 0.9015 |
441 | 5WZ | 0.9014 |
442 | SKM | 0.9014 |
443 | 4SX | 0.9013 |
444 | 2FT | 0.9012 |
445 | 1VK | 0.9011 |
446 | 4FH | 0.9011 |
447 | 2O6 | 0.9010 |
448 | IOS | 0.9010 |
449 | 2FX | 0.9010 |
450 | MXD | 0.9010 |
451 | 68A | 0.9009 |
452 | M5H | 0.9007 |
453 | XRG | 0.9004 |
454 | 4XF | 0.9003 |
455 | HRM | 0.9003 |
456 | CTL | 0.9003 |
457 | AX7 | 0.9002 |
458 | EKZ | 0.9002 |
459 | MTL | 0.8999 |
460 | GCO | 0.8999 |
461 | FMQ | 0.8999 |
462 | 8D6 | 0.8999 |
463 | PPT | 0.8998 |
464 | N4E | 0.8997 |
465 | BHA | 0.8997 |
466 | GDE | 0.8997 |
467 | N9J | 0.8996 |
468 | Y3L | 0.8995 |
469 | 9FE | 0.8991 |
470 | HSO | 0.8991 |
471 | QUS | 0.8990 |
472 | JBZ | 0.8990 |
473 | 3VX | 0.8989 |
474 | ABV | 0.8988 |
475 | A7N | 0.8988 |
476 | KLE | 0.8986 |
477 | LZ5 | 0.8985 |
478 | HHS | 0.8985 |
479 | N0Z | 0.8985 |
480 | PH2 | 0.8985 |
481 | QMP | 0.8984 |
482 | AM4 | 0.8983 |
483 | 92K | 0.8982 |
484 | PEY | 0.8981 |
485 | N91 | 0.8979 |
486 | 650 | 0.8976 |
487 | M4E | 0.8974 |
488 | S0W | 0.8972 |
489 | 54E | 0.8972 |
490 | SSC | 0.8971 |
491 | SOJ | 0.8970 |
492 | 2MI | 0.8970 |
493 | 2LY | 0.8970 |
494 | JA8 | 0.8970 |
495 | 9UL | 0.8970 |
496 | DAL DAL | 0.8968 |
497 | NF3 | 0.8967 |
498 | 069 | 0.8966 |
499 | 12Q | 0.8966 |
500 | KJH | 0.8965 |
501 | THA | 0.8965 |
502 | S8V | 0.8964 |
503 | SKF | 0.8964 |
504 | FF2 | 0.8963 |
505 | FA0 | 0.8959 |
506 | 7W1 | 0.8959 |
507 | 9RW | 0.8959 |
508 | M1Z | 0.8956 |
509 | DAH | 0.8956 |
510 | SMN | 0.8955 |
511 | N8Y | 0.8955 |
512 | DHK | 0.8954 |
513 | 1BN | 0.8952 |
514 | 3HG | 0.8951 |
515 | BEZ | 0.8951 |
516 | 3VW | 0.8950 |
517 | 4AA | 0.8947 |
518 | JMG | 0.8947 |
519 | DOB | 0.8947 |
520 | 4NP | 0.8947 |
521 | L15 | 0.8947 |
522 | 3PG | 0.8945 |
523 | SKA | 0.8944 |
524 | CS2 | 0.8940 |
525 | 5CU | 0.8939 |
526 | 4JT | 0.8938 |
527 | 1X4 | 0.8937 |
528 | IAC | 0.8937 |
529 | ITE | 0.8935 |
530 | 4M0 | 0.8933 |
531 | PBA | 0.8933 |
532 | 7MU | 0.8932 |
533 | PUE | 0.8930 |
534 | 717 | 0.8929 |
535 | 5H6 | 0.8929 |
536 | S7S | 0.8927 |
537 | 3ID | 0.8927 |
538 | SHA | 0.8927 |
539 | KJU | 0.8926 |
540 | FYR | 0.8924 |
541 | 5WV | 0.8922 |
542 | 270 | 0.8921 |
543 | Z5P | 0.8920 |
544 | 0W1 | 0.8918 |
545 | PZI | 0.8918 |
546 | URS | 0.8916 |
547 | CK1 | 0.8913 |
548 | 2PV | 0.8912 |
549 | 4FF | 0.8911 |
550 | OW7 | 0.8910 |
551 | 2PK | 0.8910 |
552 | FAN | 0.8909 |
553 | M3E | 0.8909 |
554 | AY4 | 0.8909 |
555 | Q02 | 0.8908 |
556 | HNT | 0.8908 |
557 | BIK | 0.8908 |
558 | 4VY | 0.8907 |
559 | KTW | 0.8906 |
560 | RBJ | 0.8905 |
561 | JAE | 0.8905 |
562 | 30G | 0.8903 |
563 | 4CM | 0.8902 |
564 | 78Y | 0.8900 |
565 | DEZ | 0.8899 |
566 | AX3 | 0.8899 |
567 | KMY | 0.8898 |
568 | VXX | 0.8897 |
569 | 5QX | 0.8896 |
570 | ERZ | 0.8896 |
571 | EA1 | 0.8895 |
572 | 1KP | 0.8895 |
573 | NCA | 0.8895 |
574 | GZQ | 0.8894 |
575 | 5NU | 0.8894 |
576 | 0FN | 0.8893 |
577 | 3C4 | 0.8893 |
578 | 5GU | 0.8892 |
579 | S7A | 0.8891 |
580 | 1PS | 0.8891 |
581 | 9NB | 0.8890 |
582 | PRA | 0.8890 |
583 | S60 | 0.8889 |
584 | JA5 | 0.8889 |
585 | 8W9 | 0.8888 |
586 | FQX | 0.8885 |
587 | SQV | 0.8884 |
588 | HBO | 0.8882 |
589 | PNP | 0.8882 |
590 | PRL | 0.8882 |
591 | R9Y | 0.8881 |
592 | OVM | 0.8881 |
593 | 2D2 | 0.8879 |
594 | LGT | 0.8878 |
595 | O45 | 0.8874 |
596 | DMD | 0.8872 |
597 | LL1 | 0.8872 |
598 | AZ9 | 0.8870 |
599 | HQT | 0.8867 |
600 | 7MX | 0.8865 |
601 | E0O | 0.8864 |
602 | KLS | 0.8863 |
603 | GLO | 0.8862 |
604 | V1T | 0.8862 |
605 | TZM | 0.8861 |
606 | 0N7 | 0.8860 |
607 | 4Z4 | 0.8860 |
608 | GNM | 0.8857 |
609 | UFV | 0.8855 |
610 | FGZ | 0.8853 |
611 | OTW | 0.8852 |
612 | DQU | 0.8849 |
613 | 833 | 0.8849 |
614 | R8V | 0.8848 |
615 | KYN | 0.8847 |
616 | BNF | 0.8846 |
617 | SV4 | 0.8845 |
618 | 5RN | 0.8844 |
619 | NDH | 0.8843 |
620 | HG3 | 0.8842 |
621 | 3W8 | 0.8842 |
622 | AZM | 0.8842 |
623 | BEN | 0.8842 |
624 | 2FQ | 0.8841 |
625 | HHR | 0.8841 |
626 | 86L | 0.8841 |
627 | 5TT | 0.8841 |
628 | 6ME | 0.8840 |
629 | C0H | 0.8838 |
630 | 8U3 | 0.8837 |
631 | PD2 | 0.8837 |
632 | 44W | 0.8835 |
633 | FA1 | 0.8834 |
634 | A5H | 0.8833 |
635 | KKN | 0.8833 |
636 | 23J | 0.8831 |
637 | 5RO | 0.8831 |
638 | 2AL | 0.8830 |
639 | YTX | 0.8828 |
640 | KUF | 0.8827 |
641 | BRH | 0.8826 |
642 | OA1 | 0.8825 |
643 | 54Z | 0.8824 |
644 | BGU | 0.8822 |
645 | QBK | 0.8822 |
646 | 42J | 0.8822 |
647 | B85 | 0.8821 |
648 | KF5 | 0.8821 |
649 | 4JE | 0.8819 |
650 | 49O | 0.8819 |
651 | ABF | 0.8818 |
652 | 2K4 | 0.8818 |
653 | DIN | 0.8817 |
654 | MP5 | 0.8816 |
655 | LT2 | 0.8816 |
656 | TWO | 0.8815 |
657 | XHP | 0.8815 |
658 | D2G | 0.8815 |
659 | ES7 | 0.8813 |
660 | QSH | 0.8813 |
661 | ICO | 0.8813 |
662 | B62 | 0.8813 |
663 | 5GT | 0.8812 |
664 | 5XB | 0.8811 |
665 | X11 | 0.8810 |
666 | GB5 | 0.8808 |
667 | TID | 0.8804 |
668 | 8WT | 0.8803 |
669 | AJY | 0.8803 |
670 | F60 | 0.8803 |
671 | LYS | 0.8803 |
672 | 11S | 0.8802 |
673 | CXF | 0.8801 |
674 | VNL | 0.8801 |
675 | 0VT | 0.8801 |
676 | BZQ | 0.8800 |
677 | MD6 | 0.8799 |
678 | HBA | 0.8799 |
679 | EGR | 0.8798 |
680 | 4NS | 0.8798 |
681 | JCZ | 0.8797 |
682 | H8N | 0.8796 |
683 | AL0 | 0.8795 |
684 | XAZ | 0.8794 |
685 | KMH | 0.8794 |
686 | DHS | 0.8793 |
687 | 14O | 0.8793 |
688 | 5MI | 0.8793 |
689 | 44V | 0.8792 |
690 | QX4 | 0.8792 |
691 | DNF | 0.8792 |
692 | 6AI | 0.8792 |
693 | 5H1 | 0.8792 |
694 | K7H | 0.8791 |
695 | QY9 | 0.8790 |
696 | AU8 | 0.8790 |
697 | 8OZ | 0.8790 |
698 | 4MB | 0.8789 |
699 | GP9 | 0.8788 |
700 | 7OD | 0.8788 |
701 | PGH | 0.8787 |
702 | GLY GLY | 0.8787 |
703 | AWE | 0.8785 |
704 | F31 | 0.8784 |
705 | GAB | 0.8781 |
706 | PZM | 0.8781 |
707 | 2B4 | 0.8780 |
708 | ALA ALA | 0.8779 |
709 | 13P | 0.8779 |
710 | QBS | 0.8779 |
711 | K3D | 0.8778 |
712 | 9RH | 0.8776 |
713 | PXL | 0.8775 |
714 | A7W | 0.8775 |
715 | QBP | 0.8775 |
716 | Z70 | 0.8774 |
717 | PBC | 0.8774 |
718 | OAA | 0.8771 |
719 | AMR | 0.8769 |
720 | 3QM | 0.8769 |
721 | IPB | 0.8768 |
722 | 2KA | 0.8767 |
723 | 6HO | 0.8766 |
724 | ISN | 0.8763 |
725 | MR1 | 0.8762 |
726 | LDC | 0.8761 |
727 | PRF | 0.8761 |
728 | XQ0 | 0.8760 |
729 | I4B | 0.8760 |
730 | FQI | 0.8758 |
731 | MLT | 0.8757 |
732 | 505 | 0.8754 |
733 | E7Z | 0.8752 |
734 | 0FO | 0.8752 |
735 | LEL | 0.8751 |
736 | 449 | 0.8750 |
737 | EE8 | 0.8749 |
738 | BAM | 0.8748 |
739 | CN0 | 0.8747 |
740 | RMN | 0.8747 |
741 | 27K | 0.8747 |
742 | DVQ | 0.8746 |
743 | AC0 | 0.8745 |
744 | P92 | 0.8745 |
745 | MVN | 0.8745 |
746 | DYA | 0.8743 |
747 | 5MB | 0.8741 |
748 | Z13 | 0.8740 |
749 | A5Q | 0.8739 |
750 | SEP | 0.8738 |
751 | 3HB | 0.8737 |
752 | 1SA | 0.8737 |
753 | SME | 0.8733 |
754 | MMS | 0.8732 |
755 | RP3 | 0.8731 |
756 | HJ7 | 0.8731 |
757 | 4FC | 0.8731 |
758 | BDP | 0.8730 |
759 | SD4 | 0.8730 |
760 | H4N | 0.8727 |
761 | MSL | 0.8727 |
762 | 54X | 0.8726 |
763 | HQD | 0.8726 |
764 | XRS | 0.8723 |
765 | 7W4 | 0.8723 |
766 | 3OC | 0.8722 |
767 | FK1 | 0.8722 |
768 | NIO | 0.8720 |
769 | RSO | 0.8720 |
770 | CWS | 0.8719 |
771 | A9K | 0.8718 |
772 | 6PC | 0.8718 |
773 | K82 | 0.8718 |
774 | GOJ | 0.8717 |
775 | ZME | 0.8716 |
776 | M2K | 0.8716 |
777 | ONH | 0.8715 |
778 | 4VP | 0.8714 |
779 | N7I | 0.8714 |
780 | DHY | 0.8712 |
781 | 75K | 0.8712 |
782 | CLZ | 0.8711 |
783 | YPN | 0.8710 |
784 | 64Z | 0.8709 |
785 | 67N | 0.8708 |
786 | ES9 | 0.8707 |
787 | 3J8 | 0.8707 |
788 | 7ZL | 0.8706 |
789 | OEG | 0.8706 |
790 | A9O | 0.8705 |
791 | 0P6 | 0.8703 |
792 | BTY | 0.8702 |
793 | I3A | 0.8701 |
794 | URC | 0.8700 |
795 | NDG | 0.8698 |
796 | AJV | 0.8697 |
797 | DXP | 0.8697 |
798 | 5E5 | 0.8697 |
799 | 9H2 | 0.8697 |
800 | MRW | 0.8695 |
801 | BP3 | 0.8694 |
802 | PDC | 0.8691 |
803 | GTR | 0.8690 |
804 | JND | 0.8687 |
805 | H5B | 0.8686 |
806 | LMR | 0.8682 |
807 | 7N0 | 0.8681 |
808 | A5P | 0.8680 |
809 | ASP | 0.8680 |
810 | SAF | 0.8680 |
811 | PRZ | 0.8680 |
812 | A2G | 0.8678 |
813 | JGB | 0.8676 |
814 | M78 | 0.8676 |
815 | 8CM | 0.8676 |
816 | ARG | 0.8673 |
817 | TR4 | 0.8673 |
818 | GCU | 0.8670 |
819 | 4XV | 0.8669 |
820 | 5JQ | 0.8669 |
821 | AMQ | 0.8668 |
822 | HWD | 0.8667 |
823 | NTN | 0.8667 |
824 | 0UL | 0.8666 |
825 | G3P | 0.8665 |
826 | DER | 0.8662 |
827 | BBK | 0.8662 |
828 | GPJ | 0.8661 |
829 | RQD | 0.8661 |
830 | UNU | 0.8661 |
831 | 0FR | 0.8660 |
832 | BZX | 0.8660 |
833 | 4FE | 0.8659 |
834 | ZYX | 0.8659 |
835 | NGA | 0.8657 |
836 | 4XS | 0.8657 |
837 | EWG | 0.8655 |
838 | INE | 0.8654 |
839 | 3DM | 0.8654 |
840 | JTH | 0.8651 |
841 | 2A9 | 0.8650 |
842 | FBJ | 0.8650 |
843 | 0SY | 0.8650 |
844 | K7M | 0.8649 |
845 | 3AB | 0.8647 |
846 | KW8 | 0.8646 |
847 | ENW | 0.8645 |
848 | G12 | 0.8645 |
849 | 3S5 | 0.8643 |
850 | 2D0 | 0.8642 |
851 | YIE | 0.8639 |
852 | ASO | 0.8637 |
853 | MUK | 0.8637 |
854 | TRP | 0.8634 |
855 | RHU | 0.8632 |
856 | SSB | 0.8630 |
857 | R9J | 0.8630 |
858 | QMR | 0.8630 |
859 | DCZ | 0.8630 |
860 | ADA | 0.8628 |
861 | 8MO | 0.8627 |
862 | 6MW | 0.8625 |
863 | ZRK | 0.8625 |
864 | S0G | 0.8624 |
865 | 3XR | 0.8623 |
866 | DNA | 0.8623 |
867 | SNV | 0.8622 |
868 | 2AK | 0.8621 |
869 | 0OC | 0.8621 |
870 | KOJ | 0.8620 |
871 | 9GB | 0.8619 |
872 | DUR | 0.8619 |
873 | GPF | 0.8617 |
874 | TJM | 0.8616 |
875 | SOV | 0.8616 |
876 | 4ME | 0.8615 |
877 | 4JM | 0.8614 |
878 | FP1 | 0.8614 |
879 | ES0 | 0.8610 |
880 | QIC | 0.8606 |
881 | G3H | 0.8605 |
882 | OW4 | 0.8604 |
883 | HSX | 0.8603 |
884 | PMF | 0.8600 |
885 | ORN | 0.8599 |
886 | CWM | 0.8599 |
887 | QWN | 0.8597 |
888 | NID | 0.8597 |
889 | GB4 | 0.8597 |
890 | 53C | 0.8596 |
891 | M1A | 0.8595 |
892 | NPY | 0.8594 |
893 | 5HN | 0.8594 |
894 | 28A | 0.8589 |
895 | DPT | 0.8589 |
896 | 8TX | 0.8587 |
897 | NMM | 0.8582 |
898 | F02 | 0.8580 |
899 | AAN | 0.8579 |
900 | NM2 | 0.8579 |
901 | 3Y7 | 0.8578 |
902 | 4MU | 0.8578 |
903 | 8K2 | 0.8578 |
904 | CSN | 0.8577 |
905 | KYA | 0.8576 |
906 | ROI | 0.8576 |
907 | TH7 | 0.8575 |
908 | XBT | 0.8572 |
909 | Q88 | 0.8572 |
910 | JP2 | 0.8571 |
911 | VM1 | 0.8567 |
912 | PEP | 0.8562 |
913 | N2Y | 0.8559 |
914 | M6N | 0.8557 |
915 | J9W | 0.8555 |
916 | QUZ | 0.8554 |
917 | COI | 0.8554 |
918 | 5GV | 0.8552 |
919 | NBZ | 0.8552 |
920 | RYV | 0.8550 |
921 | 14J | 0.8546 |
922 | ZXD | 0.8543 |
923 | XI7 | 0.8541 |
924 | QXW | 0.8541 |
925 | ZHA | 0.8537 |
926 | FBA | 0.8532 |
927 | DQA | 0.8531 |
928 | GOE | 0.8531 |
929 | H75 | 0.8527 |
930 | B57 | 0.8519 |
931 | CCD | 0.8518 |
932 | DBH | 0.8510 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC Z9N | 0.9697 |
2 | MAN MAN | 0.9233 |
3 | FRU FRU | 0.9109 |
4 | MMA MAN | 0.9053 |
5 | RRY RRJ | 0.9023 |
6 | BDF GLC | 0.9009 |
7 | FRU GLC | 0.8988 |
8 | TW7 GLC | 0.8931 |
9 | GLC GLC | 0.8902 |
10 | GLA GLC | 0.8842 |
11 | ADA AQA | 0.8838 |
12 | GLC IFM | 0.8831 |
13 | 4UO | 0.8776 |
14 | GLC 7LQ | 0.8767 |
15 | GAL GLA | 0.8744 |
16 | ADA ADA | 0.8733 |
17 | GLC DMJ | 0.8705 |
18 | B1T | 0.8679 |
19 | 9E3 | 0.8670 |
20 | GLA GLA | 0.8647 |
21 | RR7 GLC | 0.8636 |
22 | 4P8 | 0.8619 |
23 | CQW | 0.8506 |
This union binding pocket(no: 1) in the query (biounit: 4e1n.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4e1n.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |