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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 | A9O | 0.9827 |
2 | A9P | 0.9690 |
3 | B2Y | 0.9680 |
4 | 1XA | 0.9661 |
5 | F69 | 0.9593 |
6 | MPK | 0.9557 |
7 | JF6 | 0.9473 |
8 | Z5P | 0.9444 |
9 | 49O | 0.9437 |
10 | BPS | 0.9427 |
11 | DC5 | 0.9375 |
12 | SQ7 | 0.9374 |
13 | MOK | 0.9367 |
14 | JRB | 0.9366 |
15 | NCT | 0.9364 |
16 | SQ4 | 0.9357 |
17 | OBP | 0.9352 |
18 | GVG | 0.9338 |
19 | 1WC | 0.9316 |
20 | 6XI | 0.9314 |
21 | 692 | 0.9297 |
22 | 61O | 0.9267 |
23 | 256 | 0.9256 |
24 | 1Z8 | 0.9250 |
25 | 46P | 0.9244 |
26 | AM1 | 0.9241 |
27 | BPY | 0.9238 |
28 | TT4 | 0.9229 |
29 | 791 | 0.9224 |
30 | XQK | 0.9212 |
31 | CLU | 0.9210 |
32 | L13 | 0.9210 |
33 | 1A7 | 0.9202 |
34 | HNH | 0.9198 |
35 | 52C | 0.9192 |
36 | SV4 | 0.9186 |
37 | RUY | 0.9184 |
38 | BP6 | 0.9174 |
39 | LT8 | 0.9170 |
40 | AMQ | 0.9165 |
41 | WOE | 0.9164 |
42 | CP7 | 0.9162 |
43 | 49N | 0.9155 |
44 | PJW | 0.9151 |
45 | A1Y | 0.9148 |
46 | SQP | 0.9142 |
47 | HNL | 0.9141 |
48 | CH9 | 0.9131 |
49 | N2Z | 0.9130 |
50 | 23J | 0.9115 |
51 | 60Q | 0.9106 |
52 | JR2 | 0.9101 |
53 | 89J | 0.9097 |
54 | 2F6 | 0.9092 |
55 | 6W6 | 0.9089 |
56 | CP6 | 0.9083 |
57 | 6J9 | 0.9081 |
58 | CK2 | 0.9076 |
59 | SLY | 0.9064 |
60 | CK1 | 0.9049 |
61 | 787 | 0.9047 |
62 | M4B | 0.9037 |
63 | T2D | 0.9031 |
64 | 8OZ | 0.9015 |
65 | HNK | 0.9014 |
66 | 50C | 0.9012 |
67 | BNL | 0.9010 |
68 | XFE | 0.8986 |
69 | CCB | 0.8968 |
70 | KTJ | 0.8960 |
71 | DHK | 0.8951 |
72 | 6HX | 0.8948 |
73 | 512 | 0.8943 |
74 | 293 | 0.8943 |
75 | 0F9 | 0.8924 |
76 | PRZ | 0.8921 |
77 | K3Y | 0.8920 |
78 | HJ8 | 0.8920 |
79 | TQU | 0.8918 |
80 | S2T | 0.8917 |
81 | 1Z6 | 0.8912 |
82 | NIG | 0.8912 |
83 | BP3 | 0.8900 |
84 | XDK | 0.8898 |
85 | JZA | 0.8896 |
86 | RMN | 0.8885 |
87 | AIN | 0.8885 |
88 | N8Z | 0.8885 |
89 | W29 | 0.8881 |
90 | 5VL | 0.8877 |
91 | NZ3 | 0.8877 |
92 | 505 | 0.8870 |
93 | 1CY | 0.8868 |
94 | ONR | 0.8865 |
95 | B4O | 0.8860 |
96 | SBK | 0.8856 |
97 | 173 | 0.8855 |
98 | HJH | 0.8855 |
99 | 54X | 0.8855 |
100 | OMD | 0.8846 |
101 | PIR | 0.8842 |
102 | AVI | 0.8841 |
103 | DQA | 0.8836 |
104 | GCO | 0.8832 |
105 | 2D3 | 0.8832 |
106 | FA3 | 0.8823 |
107 | ASC | 0.8822 |
108 | 9X5 | 0.8821 |
109 | 90J | 0.8817 |
110 | S7B | 0.8816 |
111 | 977 | 0.8815 |
112 | HIS | 0.8812 |
113 | A7K | 0.8808 |
114 | VXX | 0.8806 |
115 | 7Q1 | 0.8805 |
116 | K80 | 0.8801 |
117 | SHI | 0.8800 |
118 | SHA | 0.8799 |
119 | CIT | 0.8795 |
120 | 0A9 | 0.8794 |
121 | UFV | 0.8784 |
122 | IPT | 0.8782 |
123 | C4L | 0.8782 |
124 | ZME | 0.8770 |
125 | FTV | 0.8766 |
126 | EOL | 0.8765 |
127 | HHH | 0.8764 |
128 | PIM | 0.8764 |
129 | BY5 | 0.8763 |
130 | 8GK | 0.8763 |
131 | S3B | 0.8762 |
132 | ACE PHE | 0.8759 |
133 | 7UZ | 0.8755 |
134 | 4ME | 0.8751 |
135 | MSR | 0.8750 |
136 | F16 | 0.8750 |
137 | 3B4 | 0.8748 |
138 | 7QS | 0.8743 |
139 | APG | 0.8741 |
140 | NQH | 0.8739 |
141 | 2B4 | 0.8737 |
142 | DPN | 0.8736 |
143 | NZ2 | 0.8735 |
144 | DNB | 0.8735 |
145 | TRP | 0.8735 |
146 | RME | 0.8729 |
147 | URI | 0.8727 |
148 | 2KU | 0.8727 |
149 | 0GY | 0.8726 |
150 | S0G | 0.8724 |
151 | AX3 | 0.8722 |
152 | JTH | 0.8722 |
153 | 22L | 0.8719 |
154 | JUO | 0.8718 |
155 | S2P | 0.8718 |
156 | FHC | 0.8712 |
157 | BRH | 0.8710 |
158 | FMQ | 0.8708 |
159 | GTR | 0.8708 |
160 | 25O | 0.8707 |
161 | 7ZL | 0.8705 |
162 | AOT | 0.8704 |
163 | EGR | 0.8702 |
164 | SLC | 0.8699 |
165 | B2T | 0.8699 |
166 | LNR | 0.8696 |
167 | GDE | 0.8695 |
168 | GBN | 0.8693 |
169 | TZM | 0.8692 |
170 | 6DP | 0.8691 |
171 | R2P | 0.8691 |
172 | FLC | 0.8685 |
173 | BTM | 0.8683 |
174 | NVU | 0.8678 |
175 | 4VY | 0.8676 |
176 | 9PY | 0.8674 |
177 | BZE | 0.8673 |
178 | PTU | 0.8672 |
179 | HFA | 0.8671 |
180 | 97T | 0.8671 |
181 | OSB | 0.8668 |
182 | HF2 | 0.8663 |
183 | NBG | 0.8662 |
184 | CBF | 0.8661 |
185 | P7Y | 0.8658 |
186 | 2AL | 0.8658 |
187 | SOV | 0.8657 |
188 | 54E | 0.8649 |
189 | X48 | 0.8649 |
190 | SAF | 0.8648 |
191 | AVJ | 0.8646 |
192 | 4XV | 0.8641 |
193 | QBS | 0.8639 |
194 | SMN | 0.8639 |
195 | DHY | 0.8637 |
196 | L5V | 0.8637 |
197 | SYR | 0.8636 |
198 | PHE | 0.8630 |
199 | GV9 | 0.8629 |
200 | G1P | 0.8628 |
201 | CPZ | 0.8625 |
202 | 3AL | 0.8619 |
203 | HQJ | 0.8615 |
204 | PLP | 0.8609 |
205 | AU8 | 0.8601 |
206 | GZQ | 0.8597 |
207 | GN6 | 0.8595 |
208 | 6TZ | 0.8591 |
209 | GTC | 0.8589 |
210 | NFQ | 0.8587 |
211 | TZF | 0.8587 |
212 | NLA | 0.8587 |
213 | CTS | 0.8586 |
214 | 5NS | 0.8576 |
215 | A8Q | 0.8575 |
216 | CFA | 0.8575 |
217 | DNF | 0.8574 |
218 | BQ5 | 0.8567 |
219 | 56D | 0.8566 |
220 | A6H | 0.8562 |
221 | 0FK | 0.8560 |
222 | IOS | 0.8549 |
223 | C0H | 0.8549 |
224 | GAL | 0.8549 |
225 | KTA | 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 |