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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 | Similarity coefficient |
---|---|---|
1 | L2K | 0.9456 |
2 | A05 | 0.9433 |
3 | 1XS | 0.9395 |
4 | Q2S | 0.9379 |
5 | 3Q0 | 0.9376 |
6 | 6H2 | 0.9342 |
7 | 5F1 | 0.9289 |
8 | 28A | 0.9287 |
9 | BXS | 0.9263 |
10 | 801 | 0.9257 |
11 | AVX | 0.9212 |
12 | C0V | 0.9211 |
13 | 0K7 | 0.9210 |
14 | U14 | 0.9209 |
15 | 397 | 0.9199 |
16 | 0XR | 0.9184 |
17 | 15Q | 0.9180 |
18 | XYS XYS | 0.9173 |
19 | 97K | 0.9172 |
20 | 6QT | 0.9168 |
21 | C4E | 0.9163 |
22 | TVZ | 0.9156 |
23 | MTA | 0.9154 |
24 | CR4 | 0.9154 |
25 | 5VU | 0.9149 |
26 | NOC | 0.9147 |
27 | ARJ | 0.9147 |
28 | 5FD | 0.9146 |
29 | 4ZF | 0.9146 |
30 | XYP XYP | 0.9140 |
31 | 5ER | 0.9139 |
32 | G2V | 0.9138 |
33 | 2JX | 0.9123 |
34 | WG8 | 0.9120 |
35 | OLU | 0.9116 |
36 | 0UL | 0.9116 |
37 | 7FZ | 0.9114 |
38 | BBY | 0.9112 |
39 | 121 | 0.9101 |
40 | NKI | 0.9095 |
41 | 4CN | 0.9089 |
42 | 3F4 | 0.9085 |
43 | ADN | 0.9079 |
44 | BMZ | 0.9079 |
45 | U12 | 0.9073 |
46 | JSX | 0.9073 |
47 | LI7 | 0.9069 |
48 | EP4 | 0.9068 |
49 | Y3J | 0.9061 |
50 | F18 | 0.9060 |
51 | U4J | 0.9056 |
52 | 6FX | 0.9051 |
53 | A9B | 0.9042 |
54 | AV4 | 0.9042 |
55 | 4GU | 0.9040 |
56 | 6SD | 0.9034 |
57 | 0SY | 0.9029 |
58 | 4G2 | 0.9024 |
59 | 802 | 0.9024 |
60 | 122 | 0.9020 |
61 | XEV | 0.9019 |
62 | 25F | 0.9016 |
63 | 5M2 | 0.9014 |
64 | CX5 | 0.9006 |
65 | 1FL | 0.9005 |
66 | NU3 | 0.9004 |
67 | RGK | 0.9002 |
68 | M83 | 0.9002 |
69 | IMH | 0.8997 |
70 | S0D | 0.8996 |
71 | 7EH | 0.8994 |
72 | 5CD | 0.8993 |
73 | VBC | 0.8990 |
74 | STL | 0.8988 |
75 | 4FF | 0.8986 |
76 | 1Q1 | 0.8973 |
77 | 8KW | 0.8970 |
78 | 5H6 | 0.8970 |
79 | LU2 | 0.8964 |
80 | FCW | 0.8958 |
81 | XIL | 0.8955 |
82 | O9Q | 0.8954 |
83 | LOX XYP | 0.8950 |
84 | 9CE | 0.8947 |
85 | CMG | 0.8942 |
86 | 531 | 0.8937 |
87 | EAT | 0.8933 |
88 | 7G0 | 0.8931 |
89 | D25 | 0.8931 |
90 | 1Q2 | 0.8931 |
91 | QME | 0.8928 |
92 | Q4G | 0.8926 |
93 | 797 | 0.8919 |
94 | 5AD | 0.8918 |
95 | NZ4 | 0.8918 |
96 | VJJ | 0.8915 |
97 | BVB | 0.8913 |
98 | NPZ | 0.8909 |
99 | 4RG | 0.8907 |
100 | S0A | 0.8899 |
101 | XYP XDN | 0.8896 |
102 | AD3 | 0.8896 |
103 | JVD | 0.8895 |
104 | ESJ | 0.8893 |
105 | AFX | 0.8891 |
106 | S1C | 0.8890 |
107 | 3CA | 0.8887 |
108 | NXB | 0.8885 |
109 | DFL | 0.8882 |
110 | M3W | 0.8881 |
111 | FY8 | 0.8880 |
112 | XYS AZI XYS | 0.8874 |
113 | ZEA | 0.8872 |
114 | 1OT | 0.8872 |
115 | EEY | 0.8868 |
116 | SJR | 0.8859 |
117 | 334 | 0.8858 |
118 | U13 | 0.8856 |
119 | A8D | 0.8854 |
120 | 83D | 0.8854 |
121 | XIF XYP | 0.8853 |
122 | S1D | 0.8853 |
123 | 7DE | 0.8852 |
124 | GW9 | 0.8851 |
125 | 7ZO | 0.8851 |
126 | XYS XYP | 0.8845 |
127 | IPJ | 0.8843 |
128 | EF2 | 0.8843 |
129 | AOY | 0.8843 |
130 | 1ZC | 0.8839 |
131 | XYP XIF | 0.8836 |
132 | H7S | 0.8835 |
133 | D64 | 0.8830 |
134 | 205 | 0.8830 |
135 | 0OK | 0.8828 |
136 | XDN XYP | 0.8828 |
137 | YIP | 0.8820 |
138 | MT6 | 0.8819 |
139 | 1Q4 | 0.8818 |
140 | 5DE | 0.8815 |
141 | H32 | 0.8811 |
142 | AP6 | 0.8804 |
143 | F4U | 0.8796 |
144 | TRP | 0.8794 |
145 | 6T5 | 0.8790 |
146 | QKU | 0.8789 |
147 | 3D8 | 0.8788 |
148 | KWV | 0.8777 |
149 | 5SJ | 0.8774 |
150 | RFZ | 0.8771 |
151 | 108 | 0.8767 |
152 | 6F3 | 0.8766 |
153 | 7L4 | 0.8764 |
154 | 0LA | 0.8764 |
155 | WDW | 0.8758 |
156 | Q19 | 0.8756 |
157 | CC5 | 0.8754 |
158 | FNT | 0.8753 |
159 | 3AD | 0.8751 |
160 | 4DE | 0.8746 |
161 | 3CX | 0.8737 |
162 | XYP XYS | 0.8736 |
163 | JPQ | 0.8732 |
164 | DFV | 0.8731 |
165 | YE7 | 0.8730 |
166 | FMQ | 0.8728 |
167 | NAL | 0.8722 |
168 | 7G1 | 0.8716 |
169 | 22M | 0.8714 |
170 | JCQ | 0.8712 |
171 | 4YE | 0.8709 |
172 | KWB | 0.8707 |
173 | C4F | 0.8705 |
174 | PJK | 0.8703 |
175 | KHP | 0.8699 |
176 | NPS | 0.8698 |
177 | 72H | 0.8689 |
178 | WLH | 0.8688 |
179 | IDZ | 0.8683 |
180 | 9X3 | 0.8683 |
181 | 00G | 0.8678 |
182 | BZC | 0.8674 |
183 | WA2 | 0.8674 |
184 | 2JP | 0.8669 |
185 | 3D1 | 0.8655 |
186 | QS4 | 0.8649 |
187 | IGP | 0.8637 |
188 | 7GY | 0.8631 |
189 | O53 | 0.8628 |
190 | VM7 | 0.8622 |
191 | RE2 | 0.8621 |
192 | XYP XIM | 0.8620 |
193 | GJG | 0.8619 |
194 | 72E | 0.8618 |
195 | 9FG | 0.8611 |
196 | ZAS | 0.8609 |
197 | SNV | 0.8609 |
198 | PE2 | 0.8592 |
199 | RKY | 0.8591 |
200 | FT6 | 0.8583 |
201 | ZIP | 0.8583 |
202 | JMM | 0.8581 |
203 | PNW | 0.8576 |
204 | TGW | 0.8572 |
205 | JFS | 0.8569 |
206 | Q9T | 0.8556 |
207 | HWB | 0.8554 |
208 | JOB | 0.8552 |
209 | BGK | 0.8550 |
210 | CTN | 0.8540 |
211 | PQS | 0.8540 |
212 | BNY | 0.8526 |
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 |