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- PDB : .ZIP | .CSV
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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 6 families. | |||||
1 | 3IU9 | ic50 = 0.24 uM | T07 | C9 H8 Cl2 N4 S | c1cc(c(cc1.... |
2 | 3IU7 | ic50 = 16 uM | FCD | C11 H7 Cl O3 | c1ccc(c(c1.... |
3 | 3PKE | - | Y10 | C21 H31 N O5 | CC(C)(C)/C.... |
4 | 3PKB | ic50 = 0.62 uM | Y16 | C14 H26 N2 O6 | CC(C)(C)/C.... |
5 | 3PKA | ic50 = 0.54 uM | Y02 | C23 H37 N O6 | Cc1cc(c(c(.... |
6 | 3PKC | ic50 = 0.96 uM | Y08 | C22 H38 N2 O6 | CC(C)(C)/C.... |
7 | 3IU8 | ic50 = 0.58 uM | T03 | C9 H8 F N3 S | c1cc(ccc1C.... |
8 | 3PKD | ic50 = 0.76 uM | Y10 | C21 H31 N O5 | CC(C)(C)/C.... |
9 | 1YJ3 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 3 families. | |||||
1 | 2NQ6 | ic50 = 1.5 uM | HM4 | C14 H16 N4 O3 S | CC(C)(C)OC.... |
2 | 4U69 | Ki = 54.8 uM | Q07 | C6 H16 N O3 P | CCC[C@H](C.... |
3 | 2G6P | ic50 = 0.6 uM | HM2 | C18 H17 Cl N4 | Cc1c(c(nc(.... |
4 | 4U73 | Ki = 6.6 uM | Q02 | C7 H10 N O3 P | c1ccc(cc1).... |
5 | 4IKT | ic50 = 0.67 uM | TFV | C18 H16 Cl F3 N6 | Cc1c(c(nc(.... |
6 | 4U6Z | Ki = 3.9 uM | Q07 | C6 H16 N O3 P | CCC[C@H](C.... |
7 | 4U70 | Ki = 9.5 uM | Q04 | C8 H18 N O3 P | C1CCC(CC1).... |
8 | 4FLI | ic50 = 3.59 uM | Y16 | C14 H26 N2 O6 | CC(C)(C)/C.... |
9 | 4U6C | Ki = 9.9 uM | Q06 | C8 H18 N O3 P | C1CCC(C1)C.... |
10 | 4IKR | ic50 = 0.59 uM | PVP | C16 H20 Cl N5 O | Cc1c(c(nc(.... |
11 | 4FLK | ic50 = 5.58 uM | Y10 | C21 H31 N O5 | CC(C)(C)/C.... |
12 | 4IKU | ic50 = 1.79 uM | SHX | C19 H18 Cl N5 O | Cc1c(c(nc(.... |
13 | 2NQ7 | ic50 = 2.9 uM | HM5 | C14 H16 N4 O2 S | CC(C)(C)C(.... |
14 | 4FLL | ic50 = 5.14 uM | YZ6 | C25 H35 N O6 | CC(C)(C)/C.... |
15 | 4U71 | Ki = 6 uM | Q03 | C7 H16 N O3 P | C1CCC(CC1).... |
16 | 4HXX | - | 1AY | C28 H29 Cl2 N5 | Cc1c(c(nc(.... |
17 | 4IKS | ic50 = 7.23 uM | TFD | C18 H16 Cl F3 N6 | Cc1c(c(nc(.... |
18 | 4U6E | Ki = 111.6 uM | Q02 | C7 H10 N O3 P | c1ccc(cc1).... |
19 | 4U1B | Ki = 4.9 uM | Q08 | C8 H20 N O3 P | CCCC(CCC)[.... |
20 | 4FLJ | ic50 = 7.45 uM | Y08 | C22 H38 N2 O6 | CC(C)(C)/C.... |
21 | 2GG0 | ic50 = 1.7 uM | U11 | C16 H20 F3 N3 O5 | C[C@@H](C(.... |
22 | 1YVM | Ki = 0.4 uM | TMG | C10 H7 N3 S | c1ccc2c(c1.... |
23 | 2GU6 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
24 | 2Q95 | ic50 = 1.6 uM | A05 | C11 H6 Cl N O5 | c1cc(c(cc1.... |
25 | 2GG8 | ic50 = 25 uM | U15 | C20 H31 N3 O5 | Cc1ccc(cc1.... |
26 | 2GTX | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
27 | 2EVC | ic50 = 0.29 uM | FC3 | C12 H7 F3 O3 | c1ccc(c(c1.... |
28 | 4A6W | ic50 = 1.9 uM | 5C1 | C10 H7 Cl N2 O3 | c1ccc(c(c1.... |
29 | 2GG3 | ic50 = 0.58 uM | U13 | C9 H7 F N6 | [H]/N=C/1C.... |
30 | 3D27 | ic50 = 55.7 uM | W29 | C12 H12 O2 S | CCc1ccsc1c.... |
31 | 2GG7 | ic50 = 1.75 uM | U14 | C10 H8 N6 O2 | [H]/N=C1/C.... |
32 | 2GU5 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
33 | 1XNZ | ic50 = 0.24 uM | FCD | C11 H7 Cl O3 | c1ccc(c(c1.... |
34 | 4A6V | ic50 = 1.9 uM | IKY | C11 H7 F3 N2 O3 | c1ccc(c(c1.... |
35 | 1C21 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
36 | 2Q92 | ic50 = 1.1 uM | B23 | C11 H7 N O5 | c1ccc(c(c1.... |
37 | 1C27 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
38 | 1C24 | - | MPJ | C4 H12 N O2 P S | CSCC[C@H](.... |
39 | 2EVO | ic50 = 0.067 uM | CT0 | C10 H13 N3 O2 S | c1csc(n1)N.... |
40 | 2P99 | ic50 = 1.16 uM | YE6 | C11 H9 Cl N2 O2 | c1ccc(c(c1.... |
41 | 2GG9 | ic50 = 3.5 uM | U16 | C22 H35 N3 O5 | CC(C)C[C@H.... |
42 | 2Q94 | ic50 = 0.37 uM | A04 | C12 H7 F3 O4 | c1ccc(c(c1.... |
43 | 2P98 | ic50 = 0.64 uM | YE7 | C12 H10 N4 O | c1ccc2c(c1.... |
44 | 2GGB | ic50 = 12 uM | U17 | C17 H33 N3 O6 | CCCC[C@H](.... |
45 | 2EVM | ic50 = 0.693 uM | FC2 | C11 H6 Cl2 O3 | c1cc(c(cc1.... |
46 | 1C22 | - | MF3 | C5 H8 F3 N O2 S | C(CSC(F)(F.... |
47 | 1C23 | - | MPH | C4 H12 N O3 P S | CSCC[C@H](.... |
48 | 2Q96 | ic50 = 1.2 uM | A18 | C12 H9 Cl O3 | c1ccc(c(c1.... |
49 | 2BB7 | ic50 = 2.14 uM | QMS | C10 H10 N2 O2 S | CS(=O)(=O).... |
50 | 2GG2 | ic50 = 0.25 uM | U12 | C10 H7 F3 N6 | c1cc(cc(c1.... |
51 | 2GGC | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
52 | 2GU4 | - | NLP | C5 H14 N O3 P | CCCC[C@H](.... |
53 | 2Q93 | ic50 = 0.56 uM | B21 | C12 H10 O4 | COc1ccccc1.... |
54 | 2GG5 | ic50 = 0.25 uM | U19 | C10 H7 F3 N6 | [H]/N=C1/C.... |
55 | 3MAT | - | AHH ALA LEU VAL 0A9 | n/a | n/a |
56 | 2P9A | ic50 = 6.56 uM | YE6 | C11 H9 Cl N2 O2 | c1ccc(c(c1.... |
57 | 4IU6 | - | FZ1 | C24 H23 N5 O | COc1ccc(cc.... |
58 | 1QXZ | ic50 = 19 uM | M3C | C8 H14 N2 O2 S2 | CSCC[C@@H].... |
59 | 1QXY | ic50 = 16 uM | M2C | C10 H16 N2 O2 S | CSCC[C@@H].... |
60 | 1QXW | ic50 = 7 uM | M1C | C10 H22 N2 O2 | CCCC[C@@H].... |
61 | 3IU9 | ic50 = 0.24 uM | T07 | C9 H8 Cl2 N4 S | c1cc(c(cc1.... |
62 | 3IU7 | ic50 = 16 uM | FCD | C11 H7 Cl O3 | c1ccc(c(c1.... |
63 | 3PKE | - | Y10 | C21 H31 N O5 | CC(C)(C)/C.... |
64 | 3PKB | ic50 = 0.62 uM | Y16 | C14 H26 N2 O6 | CC(C)(C)/C.... |
65 | 3PKA | ic50 = 0.54 uM | Y02 | C23 H37 N O6 | Cc1cc(c(c(.... |
66 | 3PKC | ic50 = 0.96 uM | Y08 | C22 H38 N2 O6 | CC(C)(C)/C.... |
67 | 3IU8 | ic50 = 0.58 uM | T03 | C9 H8 F N3 S | c1cc(ccc1C.... |
68 | 3PKD | ic50 = 0.76 uM | Y10 | C21 H31 N O5 | CC(C)(C)/C.... |
69 | 1YJ3 | - | MET | C5 H11 N O2 S | CSCC[C@@H].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | T03 | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | D4G | 0.9342 |
2 | KPV | 0.9324 |
3 | 1YO | 0.9322 |
4 | F90 | 0.9294 |
5 | T07 | 0.9237 |
6 | KLS | 0.9218 |
7 | QH3 | 0.9215 |
8 | 0OY | 0.9210 |
9 | MFY | 0.9206 |
10 | LJ1 | 0.9203 |
11 | BZM | 0.9199 |
12 | 4BX | 0.9197 |
13 | 6FG | 0.9187 |
14 | 3IP | 0.9187 |
15 | YIP | 0.9181 |
16 | 5PV | 0.9178 |
17 | GJB | 0.9173 |
18 | LJ2 | 0.9148 |
19 | ARG | 0.9141 |
20 | LL2 | 0.9134 |
21 | YTZ | 0.9133 |
22 | 94X | 0.9125 |
23 | HX8 | 0.9112 |
24 | 1PS | 0.9081 |
25 | L12 | 0.9063 |
26 | LPA | 0.9057 |
27 | SB7 | 0.9056 |
28 | 4FP | 0.9053 |
29 | S46 | 0.9047 |
30 | 9VQ | 0.9045 |
31 | D53 | 0.9041 |
32 | TYR | 0.9032 |
33 | HJD | 0.9031 |
34 | IJ6 | 0.9019 |
35 | 5TO | 0.9015 |
36 | GGB | 0.9014 |
37 | I2E | 0.9014 |
38 | STL | 0.9009 |
39 | IJ4 | 0.9009 |
40 | AHL | 0.9006 |
41 | D8Y | 0.9005 |
42 | RQD | 0.9004 |
43 | 4YZ | 0.9003 |
44 | PHE | 0.9002 |
45 | ISA | 0.8997 |
46 | HS6 | 0.8995 |
47 | 0XR | 0.8993 |
48 | RDV | 0.8989 |
49 | A8K | 0.8987 |
50 | BZQ | 0.8983 |
51 | S0B | 0.8980 |
52 | CUT | 0.8979 |
53 | 27K | 0.8970 |
54 | ENO | 0.8970 |
55 | M5H | 0.8964 |
56 | 36M | 0.8955 |
57 | DA3 | 0.8954 |
58 | CLT | 0.8953 |
59 | 848 | 0.8942 |
60 | KYN | 0.8942 |
61 | AX5 | 0.8933 |
62 | HS7 | 0.8932 |
63 | YOF | 0.8930 |
64 | OGY | 0.8928 |
65 | C4E | 0.8928 |
66 | DTY | 0.8927 |
67 | 6J5 | 0.8922 |
68 | 0A1 | 0.8922 |
69 | 6IP | 0.8917 |
70 | IPO | 0.8908 |
71 | 3GZ | 0.8907 |
72 | 2UB | 0.8906 |
73 | 6C5 | 0.8904 |
74 | C82 | 0.8902 |
75 | HRG | 0.8898 |
76 | AHN | 0.8898 |
77 | 11X | 0.8896 |
78 | 00G | 0.8895 |
79 | V15 | 0.8894 |
80 | 4TB | 0.8894 |
81 | TPM | 0.8893 |
82 | IAR | 0.8892 |
83 | GXD | 0.8887 |
84 | 3IB | 0.8887 |
85 | SFY | 0.8885 |
86 | 5GT | 0.8885 |
87 | SAZ | 0.8882 |
88 | JF5 | 0.8882 |
89 | 4Z0 | 0.8880 |
90 | S8P | 0.8878 |
91 | TRP | 0.8877 |
92 | TZM | 0.8875 |
93 | IJ1 | 0.8871 |
94 | 08D | 0.8867 |
95 | DAH | 0.8867 |
96 | 1HR | 0.8865 |
97 | API | 0.8864 |
98 | XI7 | 0.8864 |
99 | ZIQ | 0.8864 |
100 | MMS | 0.8864 |
101 | 1VK | 0.8862 |
102 | 6C4 | 0.8859 |
103 | 4Z1 | 0.8858 |
104 | ILO | 0.8855 |
105 | 0V8 | 0.8850 |
106 | 4ZD | 0.8847 |
107 | EYJ | 0.8840 |
108 | LVD | 0.8839 |
109 | DAR | 0.8836 |
110 | GGG | 0.8835 |
111 | 3VR | 0.8831 |
112 | TOH | 0.8830 |
113 | JX7 | 0.8823 |
114 | S0W | 0.8820 |
115 | PBN | 0.8815 |
116 | 3D3 | 0.8811 |
117 | GHQ | 0.8811 |
118 | S0F | 0.8810 |
119 | 6MW | 0.8807 |
120 | 0A9 | 0.8807 |
121 | NAL | 0.8805 |
122 | ENW | 0.8801 |
123 | 6C9 | 0.8797 |
124 | M6H | 0.8791 |
125 | ITW | 0.8788 |
126 | MJW | 0.8788 |
127 | ZZU | 0.8787 |
128 | LTN | 0.8787 |
129 | FT6 | 0.8785 |
130 | BVB | 0.8784 |
131 | RE2 | 0.8781 |
132 | 3H2 | 0.8778 |
133 | IW5 | 0.8776 |
134 | ALY | 0.8774 |
135 | N2Y | 0.8762 |
136 | SE5 | 0.8758 |
137 | AX4 | 0.8750 |
138 | DI9 | 0.8749 |
139 | Z79 | 0.8744 |
140 | 3CR | 0.8743 |
141 | IW4 | 0.8740 |
142 | M5E | 0.8738 |
143 | TYC | 0.8738 |
144 | A7Q | 0.8728 |
145 | 5DL | 0.8727 |
146 | TZP | 0.8720 |
147 | SX2 | 0.8719 |
148 | 3VW | 0.8718 |
149 | 1A6 | 0.8716 |
150 | 37E | 0.8714 |
151 | 4MP | 0.8710 |
152 | 5LD | 0.8709 |
153 | 1BN | 0.8704 |
154 | IW3 | 0.8702 |
155 | 4BF | 0.8700 |
156 | ENG | 0.8698 |
157 | 6HO | 0.8696 |
158 | 58X | 0.8695 |
159 | GNW | 0.8694 |
160 | 7R4 | 0.8694 |
161 | EN1 | 0.8693 |
162 | 1AJ | 0.8692 |
163 | BSA | 0.8691 |
164 | SB9 | 0.8682 |
165 | PYU | 0.8682 |
166 | S8G | 0.8680 |
167 | M74 | 0.8675 |
168 | S7A | 0.8669 |
169 | HFA | 0.8663 |
170 | TCR | 0.8661 |
171 | 4Z9 | 0.8661 |
172 | YPN | 0.8660 |
173 | IOS | 0.8660 |
174 | B3U | 0.8660 |
175 | TR7 | 0.8659 |
176 | A06 | 0.8658 |
177 | FHC | 0.8655 |
178 | OOG | 0.8647 |
179 | GZ2 | 0.8641 |
180 | OA1 | 0.8637 |
181 | RK4 | 0.8625 |
182 | 5F5 | 0.8625 |
183 | 2NP | 0.8617 |
184 | EQA | 0.8617 |
185 | GO2 | 0.8610 |
186 | 30G | 0.8610 |
187 | GLY GLY GLY | 0.8602 |
188 | ZYC | 0.8592 |
189 | CIR | 0.8588 |
190 | PFF | 0.8587 |
191 | LEL | 0.8581 |
192 | S7D | 0.8580 |
193 | 15N | 0.8569 |
194 | CUQ | 0.8566 |
195 | EUH | 0.8543 |
196 | LL1 | 0.8536 |
197 | D1Y | 0.8524 |
This union binding pocket(no: 1) in the query (biounit: 3iu9.bio2) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3iu9.bio2) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3iu9.bio2) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 3iu9.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |