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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 14 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
16 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
17 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
18 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
19 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
20 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
21 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 9 families. | |||||
1 | 5XSU | Kd = 180 nM | 8E3 | C15 H13 F N4 O2 | c1c(cc2c(c.... |
2 | 4R6E | ic50 = 132 nM | 3JD | C19 H20 N4 O | c1cc2cn(nc.... |
3 | 4ZZZ | Kd = 0.087 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
4 | 5XSR | Kd = 0.000000064 M | 8EC | C15 H13 F N4 O S | c1c(cc2c(c.... |
5 | 6VKK | - | RPB | C19 H18 F N3 O | CNCc1ccc(c.... |
6 | 3GJW | Ki = 0.005 uM | GJW | C16 H17 N3 O | c1cc2n(c1).... |
7 | 4L6S | Kd = 0.003 uM | 1WQ | C21 H21 Cl N2 O2 | C[C@H]1C(=.... |
8 | 4HHY | ic50 = 1.92 nM | 15R | C33 H30 F N5 O4 | c1ccc2c(c1.... |
9 | 4UND | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
10 | 5XST | ic50 = 27 nM | 8E6 | C15 H13 F N4 O S | c1c(cc2c(c.... |
11 | 3L3L | Ki = 33 nM | L3L | C14 H17 N3 O2 | c1cc2c(c(c.... |
12 | 4PJT | ic50 = 0.57 nM | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
13 | 3L3M | Ki = 0.006 uM | A92 | C19 H19 F N4 O | c1cc(c2c(c.... |
14 | 6XVW | - | O3H | C19 H21 N5 O S | c1ccc2c(c1.... |
15 | 4TVJ | ic50 = 251 nM | 09L | C24 H23 F N4 O3 | c1ccc2c(c1.... |
16 | 4ZZY | Kd = 1.389 uM | D7N | C20 H24 F3 N3 O2 | c1c(cc(c2c.... |
17 | 4PJV | - | 2YQ | C19 H14 F2 N6 O | Cn1c(ncn1).... |
18 | 3KCZ | - | 3AB | C7 H8 N2 O | c1cc(cc(c1.... |
19 | 3KJD | Kd = 2.9 nM | 78P | C13 H16 N4 O | C[C@@]1(CC.... |
20 | 4ZZX | Kd = 0.125 uM | FSU | C13 H16 N2 O3 | COCCCN1Cc2.... |
21 | 3C4H | Kd = 2 uM | DRL | C8 H10 N2 O S | CC1=NC2=C(.... |
22 | 4L7P | - | M95 | C20 H19 N3 O3 | c1ccc(cc1).... |
23 | 4L7L | - | 1VA | C20 H21 N3 O3 | c1ccc(cc1).... |
24 | 4L7N | - | 1VB | C19 H20 N4 O4 S | C[C@@H](c1.... |
25 | 4L7R | - | M00 | C15 H19 N3 O3 | CC[C@@H](C.... |
26 | 4L6Z | - | 1DC | C18 H18 N4 O2 | C[C@@H](c1.... |
27 | 3FHB | Kd > 2 uM | GAB | C7 H7 N O2 | c1cc(cc(c1.... |
28 | 4L70 | - | 1V9 | C20 H21 N3 O2 | CC[C@@H](c.... |
29 | 4GV4 | ic50 = 0.89 uM | MEJ | C19 H19 N3 O2 | C[C@@H](c1.... |
30 | 4GV0 | ic50 = 1.3 uM | 8ME | C18 H18 N4 O2 | C[C@@H](c1.... |
31 | 4L7O | - | 1VD | C22 H21 N5 O2 | C[C@@H](c1.... |
32 | 4GV2 | - | 5ME | C18 H18 N4 O2 | C[C@H](c1c.... |
33 | 6NRG | ic50 = 56 nM | KYY | C17 H12 F N5 O3 | c1cc2c(c(o.... |
34 | 6NRJ | ic50 = 36 nM | KYJ | C26 H20 N4 O4 | c1ccc2c(c1.... |
35 | 6NRI | ic50 = 27 nM | KYM | C25 H21 N5 O4 | c1cc2c(c(c.... |
36 | 6NTU | - | GLC FRU | n/a | n/a |
37 | 6NRF | ic50 = 18 nM | KYV | C28 H25 N5 O4 | c1ccc2c(c1.... |
38 | 6NRH | ic50 = 55 nM | KYP | C25 H23 N5 O4 | c1cc2c(c(o.... |
39 | 6BHV | Kd = 5.87 uM | DQV | C22 H28 N6 O14 P2 | c1cc(cc(c1.... |
40 | 2PAX | ic50 = 0.18 uM | 4AN | C12 H8 N2 O2 | c1cc2c(ccc.... |
41 | 3PAX | ic50 = 10 uM | 3MB | C8 H9 N O2 | COc1cccc(c.... |
42 | 1EFY | Ki = 6 nM | BZC | C15 H13 N3 O2 | COc1cccc(c.... |
43 | 1PAX | - | DHQ | C10 H11 N O | Cc1cccc2c1.... |
44 | 6I8T | - | H7Z | C21 H29 N3 O2 | C[C@@H]1c2.... |
45 | 6I8M | - | H7W | C21 H29 N3 O2 | C[C@H]1c2c.... |
46 | 1A26 | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | OUA | 0.9540 |
2 | H32 | 0.9492 |
3 | O9Q | 0.9484 |
4 | OUG | 0.9421 |
5 | B06 | 0.9411 |
6 | 2QV | 0.9381 |
7 | LU2 | 0.9353 |
8 | 2QU | 0.9308 |
9 | B4L | 0.9295 |
10 | 041 | 0.9248 |
11 | OT4 | 0.9238 |
12 | QUE | 0.9236 |
13 | IRH | 0.9180 |
14 | 7G2 | 0.9177 |
15 | A45 | 0.9161 |
16 | 6TJ | 0.9130 |
17 | Q2S | 0.9129 |
18 | Q92 | 0.9124 |
19 | MTB | 0.9116 |
20 | 57D | 0.9110 |
21 | 697 | 0.9107 |
22 | 6EN | 0.9103 |
23 | X8E | 0.9094 |
24 | J8D | 0.9084 |
25 | 7LU | 0.9082 |
26 | 0DJ | 0.9079 |
27 | IIH | 0.9077 |
28 | TCW | 0.9074 |
29 | ISX | 0.9072 |
30 | 4L2 | 0.9069 |
31 | EFX | 0.9069 |
32 | 6BK | 0.9062 |
33 | DH2 | 0.9061 |
34 | 553 | 0.9058 |
35 | CC6 | 0.9057 |
36 | 53X | 0.9052 |
37 | 6JP | 0.9051 |
38 | P34 | 0.9048 |
39 | 8E3 | 0.9043 |
40 | TVC | 0.9037 |
41 | NAR | 0.9031 |
42 | MHB | 0.9028 |
43 | 581 | 0.9027 |
44 | 6F3 | 0.9024 |
45 | AGI | 0.9018 |
46 | L3L | 0.9018 |
47 | T5J | 0.9012 |
48 | CFK | 0.9007 |
49 | XTS | 0.9006 |
50 | AUY | 0.9004 |
51 | Q11 | 0.9003 |
52 | AV7 | 0.8998 |
53 | CWE | 0.8998 |
54 | 6JO | 0.8994 |
55 | 3JC | 0.8990 |
56 | 6B5 | 0.8987 |
57 | DQH | 0.8983 |
58 | 1V8 | 0.8982 |
59 | PE2 | 0.8981 |
60 | CMG | 0.8974 |
61 | ARJ | 0.8970 |
62 | 8M5 | 0.8966 |
63 | XEV | 0.8964 |
64 | MT6 | 0.8961 |
65 | KMP | 0.8952 |
66 | NOC | 0.8952 |
67 | HWB | 0.8949 |
68 | 4G2 | 0.8949 |
69 | 3F4 | 0.8944 |
70 | ELH | 0.8942 |
71 | 6FX | 0.8935 |
72 | 6JM | 0.8934 |
73 | U14 | 0.8934 |
74 | 8GP | 0.8934 |
75 | SZ5 | 0.8933 |
76 | 3WL | 0.8932 |
77 | 97K | 0.8930 |
78 | YEX | 0.8928 |
79 | 7GP | 0.8927 |
80 | FLF | 0.8924 |
81 | MYC | 0.8918 |
82 | AJ4 | 0.8902 |
83 | O9T | 0.8894 |
84 | QC1 | 0.8892 |
85 | 4F8 | 0.8890 |
86 | SGV | 0.8889 |
87 | MR4 | 0.8883 |
88 | 1FL | 0.8880 |
89 | 4GU | 0.8878 |
90 | 3GX | 0.8877 |
91 | BGC BGC | 0.8875 |
92 | PCQ | 0.8871 |
93 | RGK | 0.8871 |
94 | VT3 | 0.8869 |
95 | 4K2 | 0.8867 |
96 | L5D | 0.8863 |
97 | 6QT | 0.8861 |
98 | UAY | 0.8861 |
99 | 47V | 0.8861 |
100 | 244 | 0.8859 |
101 | 6TU | 0.8858 |
102 | NW1 | 0.8857 |
103 | GNG | 0.8853 |
104 | SNP | 0.8852 |
105 | 0SY | 0.8852 |
106 | 5E5 | 0.8851 |
107 | 38E | 0.8849 |
108 | ZEA | 0.8848 |
109 | 3Q0 | 0.8848 |
110 | 5B2 | 0.8845 |
111 | DFL | 0.8845 |
112 | AV4 | 0.8843 |
113 | 28A | 0.8843 |
114 | AVX | 0.8842 |
115 | G54 | 0.8840 |
116 | IW6 | 0.8839 |
117 | 4ZF | 0.8839 |
118 | J8G | 0.8838 |
119 | GQZ | 0.8836 |
120 | Q4G | 0.8835 |
121 | QKU | 0.8834 |
122 | SAK | 0.8832 |
123 | IK1 | 0.8831 |
124 | IQQ | 0.8827 |
125 | BUX | 0.8819 |
126 | DFV | 0.8819 |
127 | X8I | 0.8818 |
128 | EMU | 0.8817 |
129 | MR6 | 0.8814 |
130 | PJK | 0.8814 |
131 | MR5 | 0.8813 |
132 | NE2 | 0.8811 |
133 | 28B | 0.8810 |
134 | 5P3 | 0.8807 |
135 | CZ0 | 0.8799 |
136 | 7FZ | 0.8798 |
137 | VM7 | 0.8798 |
138 | DMB | 0.8797 |
139 | F40 | 0.8794 |
140 | 245 | 0.8792 |
141 | GLA BEZ | 0.8791 |
142 | 0HV | 0.8788 |
143 | U12 | 0.8782 |
144 | SQM | 0.8779 |
145 | CJZ | 0.8776 |
146 | 100 | 0.8774 |
147 | 5LP | 0.8772 |
148 | MHD GAL | 0.8760 |
149 | 3D8 | 0.8754 |
150 | 88X | 0.8754 |
151 | 0RY | 0.8752 |
152 | E7E | 0.8748 |
153 | C4E | 0.8746 |
154 | DDC | 0.8746 |
155 | KTV | 0.8746 |
156 | MYU | 0.8746 |
157 | KXN | 0.8746 |
158 | 0DF | 0.8743 |
159 | CL9 | 0.8742 |
160 | M3W | 0.8740 |
161 | PIQ | 0.8739 |
162 | 1HP | 0.8739 |
163 | TQ1 | 0.8738 |
164 | DXK | 0.8735 |
165 | 1AV | 0.8732 |
166 | UL1 | 0.8730 |
167 | BJ4 | 0.8728 |
168 | NFL | 0.8723 |
169 | 34L | 0.8721 |
170 | 5AD | 0.8715 |
171 | WG8 | 0.8715 |
172 | 78P | 0.8708 |
173 | HA6 | 0.8707 |
174 | LZ7 | 0.8701 |
175 | UN4 | 0.8700 |
176 | 499 | 0.8699 |
177 | 1Q4 | 0.8694 |
178 | LFK | 0.8693 |
179 | 1XS | 0.8693 |
180 | THM | 0.8690 |
181 | NE1 | 0.8688 |
182 | 3WO | 0.8687 |
183 | 3WN | 0.8687 |
184 | 5E4 | 0.8684 |
185 | BHF | 0.8680 |
186 | 6ZW | 0.8679 |
187 | AP6 | 0.8676 |
188 | H35 | 0.8675 |
189 | B2L | 0.8674 |
190 | BMC | 0.8674 |
191 | P4L | 0.8661 |
192 | NAB | 0.8661 |
193 | 3RP | 0.8659 |
194 | 6H2 | 0.8657 |
195 | DS8 | 0.8653 |
196 | DE7 | 0.8650 |
197 | JZR | 0.8647 |
198 | U98 | 0.8646 |
199 | GQW | 0.8644 |
200 | SIJ | 0.8637 |
201 | ZJB | 0.8635 |
202 | 5WK | 0.8625 |
203 | 196 | 0.8624 |
204 | 15Q | 0.8623 |
205 | 4YC | 0.8623 |
206 | BXS | 0.8616 |
207 | BL7 | 0.8602 |
208 | IDD | 0.8602 |
209 | SNJ | 0.8583 |
210 | 8HH | 0.8576 |
211 | OAQ | 0.8573 |
212 | NKH | 0.8567 |
213 | AUG | 0.8567 |
214 | GLC GAL | 0.8559 |
215 | 92O | 0.8538 |
216 | IDZ | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 1efy.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6W65 | T9D | 10.1083 |
2 | 6W65 | T9D | 10.1083 |