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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 197 families. | |||||
1 | 2B16 | - | DNF | C6 H4 N2 O5 | c1cc(c(cc1.... |
2 | 4ABV | ic50 = 0.85 uM | FT2 | C13 H9 Cl3 O2 | c1cc(c(cc1.... |
3 | 5JID | - | 8PF | C8 H F15 O2 | C(=O)(C(C(.... |
4 | 5JIM | - | P8S | C8 H F17 O3 S | C(C(C(C(C(.... |
5 | 6TI9 | - | ND5 | C10 H9 Br2 N O4 | c1c(cc(c(c.... |
6 | 4HJU | - | 16L | C19 H19 N O2 | Cc1cc(cc(c.... |
7 | 2FLM | - | 6CA | C32 H31 N O6 | c1ccc(c(c1.... |
8 | 5AKV | - | G7G | C21 H18 O11 | c1cc(ccc1C.... |
9 | 3IMU | - | IW4 | C14 H12 Br2 N2 | c1cc(cc(c1.... |
10 | 4ABU | ic50 = 0.52 uM | FT1 | C13 H8 Cl2 O3 | c1cc(c(cc1.... |
11 | 2G5U | Kd = 3.2 nM | PCQ | C12 H6 Cl4 O2 | c1c(cc(c(c.... |
12 | 4DER | Kd = 0.49 uM | AGI | C15 H10 O5 | c1cc(ccc1C.... |
13 | 3CN3 | - | LJ4 | C12 H8 Br2 O2 | c1ccc(cc1).... |
14 | 5L4M | Kd = 4.6 uM | SBK | C7 H4 Cl3 N O3 | c1c(c(nc(c.... |
15 | 1THA | - | T33 | C15 H13 I2 N O4 | c1cc(c(cc1.... |
16 | 6GRP | Kd = 3.34 uM | F4Z | C5 H2 Cl3 N O | c1c(c(nc(c.... |
17 | 5AKS | - | R3X | C20 H20 O9 | c1cc(ccc1/.... |
18 | 3NEE | - | B72 | C20 H24 O4 | Cc1cc(cc(c.... |
19 | 3GS7 | - | 8BD | C11 H13 N O4 | COc1ccccc1.... |
20 | 4HIQ | Kd = 6.2 nM | 16V | C15 H17 F N2 O3 | Cc1c(c(n[n.... |
21 | 3IMR | - | IW1 | C14 H8 Br2 Cl2 O | c1cc(c(c(c.... |
22 | 3KGU | Kd = 1.2 uM | GEN | C15 H10 O5 | c1cc(ccc1C.... |
23 | 3ESP | - | DZ3 | C15 H13 Br2 N O3 | Cc1cc(cc(c.... |
24 | 1DVU | - | DBF | C14 H8 O5 | c1cc2c3ccc.... |
25 | 3TCT | Kd = 3 nM | 3MI | C14 H7 Cl2 N O3 | c1cc2c(cc1.... |
26 | 5E23 | - | L32 | C15 H9 Br2 N O3 | c1cc-2c(cc.... |
27 | 4QYA | - | LU2 | C15 H10 O6 | c1cc(c(cc1.... |
28 | 2FBR | - | 44C | C30 H27 N O6 | c1ccc(c(c1.... |
29 | 2F7I | - | 26C | C13 H8 F2 O2 | c1cc(c(c(c.... |
30 | 4HIS | Kd = 8.1 nM | 3MI | C14 H7 Cl2 N O3 | c1cc2c(cc1.... |
31 | 5AKT | - | R4G | C20 H20 O9 | c1cc(ccc1/.... |
32 | 5L4J | Kd = 52 uM | 6JD | C12 H10 O4 S | c1cc(ccc1O.... |
33 | 5CR1 | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
34 | 4PM1 | - | ESZ | C18 H23 Br O2 | C[C@]12CC[.... |
35 | 1DVX | - | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
36 | 1DVT | - | FLP | C15 H13 F O2 | C[C@@H](c1.... |
37 | 3IMS | - | IW2 | C14 H10 Br2 Cl2 O | c1cc(c(c(c.... |
38 | 3FC8 | ic50 = 4.1 uM | IFA | C17 H14 F2 I N O4 | COC(=O)CCN.... |
39 | 5EZP | - | IPJ | C15 H12 O2 | c1ccc(cc1).... |
40 | 3D2T | Kd = 75 nM | 1FL | C13 H8 F2 O3 | c1cc(c(cc1.... |
41 | 4D7B | Kd = 21 nM | TCW | C14 H11 N O5 | Cc1ccc(cc1.... |
42 | 6TXV | Kd = 3.1 uM | TCW | C14 H11 N O5 | Cc1ccc(cc1.... |
43 | 3KGT | Kd = 3.1 uM | GEN | C15 H10 O5 | c1cc(ccc1C.... |
44 | 3CFT | Kd = 64 uM | 5NS | C10 H9 N O3 S | c1cc2c(ccc.... |
45 | 1ETA | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
46 | 4TQH | - | ES8 | C15 H11 N O3 | c1ccc2c(c1.... |
47 | 1THC | - | FL9 | C15 H8 Br2 O6 | c1c(cc2c(c.... |
48 | 5IHH | Kd = 390 nM | 6B5 | C16 H12 O6 | COc1cc(c2c.... |
49 | 4FI7 | - | 0UA | C14 H7 Cl2 F N2 O4 S | c1cc(cc(c1.... |
50 | 2QGE | - | MR6 | C15 H13 N O | Cc1cc(cc(c.... |
51 | 3IPE | ic50 = 0.15 uM | JZE | C33 H30 Cl4 N2 O6 | c1ccc(c(c1.... |
52 | 1Z7J | - | T4A | C14 H8 I4 O4 | c1c(cc(c(c.... |
53 | 4I89 | - | 1FL | C13 H8 F2 O3 | c1cc(c(cc1.... |
54 | 2B15 | - | DNF | C6 H4 N2 O5 | c1cc(c(cc1.... |
55 | 3CN1 | - | LJ2 | C14 H10 Br2 O | c1ccc(cc1).... |
56 | 6GR7 | Kd = 3.19 uM | F52 | C8 H5 Cl3 O3 | c1c(c(cc(c.... |
57 | 1DVZ | Kd = 78 nM | OFL | C14 H10 F3 N O2 | c1ccc(c(c1.... |
58 | 2B9A | - | FBC | C13 H8 F2 O2 | c1cc(ccc1c.... |
59 | 3NEO | - | G24 | C24 H24 O4 | Cc1cc(cc(c.... |
60 | 1TT6 | - | DES | C18 H20 O2 | CC/C(=C(/C.... |
61 | 5TZL | - | IIH | C13 H6 Cl I2 N O2 | c1cc2c(c(c.... |
62 | 4TQI | - | 6BD | C17 H15 N O3 | C[C@@H](CO.... |
63 | 3NG5 | - | KDH | C22 H18 O11 | c1c(cc(c(c.... |
64 | 3CN2 | - | LJ3 | C12 H8 Br2 O | c1ccc(cc1).... |
65 | 4FI8 | - | 0UC | C14 H6 Br Cl2 F N2 O4 S | c1cc(c(cc1.... |
66 | 1ETB | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
67 | 4WNJ | - | QUE | C15 H10 O7 | c1cc(c(cc1.... |
68 | 5AL0 | - | R3S | C14 H12 O6 S | c1cc(ccc1/.... |
69 | 3CFN | Kd = 4.3 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
70 | 1TLM | - | MIL | C12 H9 N3 O | CC1=C(C=C(.... |
71 | 2QGD | - | MR5 | C13 H7 Br2 N O2 | c1ccc2c(c1.... |
72 | 5L4I | Kd = 0.26 uM | 6J3 | C13 H11 Cl N2 O2 | Cc1c(cccc1.... |
73 | 4WNS | - | 3RL | C16 H16 O3 | COc1cc(cc(.... |
74 | 4YDN | - | 4B8 | C14 H8 Cl2 N2 O3 | c1cc(ccc1c.... |
75 | 3ESO | - | DZ2 | C13 H7 Br2 Cl2 N O2 | c1cc(c(cc1.... |
76 | 3GLZ | - | 1BD | C11 H10 F3 N O3 | c1ccc(c(c1.... |
77 | 2G9K | - | NE1 | C12 H5 Cl5 O | c1cc(c(c(c.... |
78 | 4TQ8 | - | 7BD | C16 H13 N O3 | c1ccc2c(c1.... |
79 | 4PME | - | CUR | C21 H20 O6 | COc1cc(ccc.... |
80 | 3NEX | - | G24 | C24 H24 O4 | Cc1cc(cc(c.... |
81 | 3GS4 | - | 7BD | C16 H13 N O3 | c1ccc2c(c1.... |
82 | 3IPB | ic50 = 0.2 uM | JZD | C37 H38 Cl4 N2 O6 | c1ccc(c(c1.... |
83 | 1F86 | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
84 | 5E4O | - | L57 | C15 H11 Cl2 N O3 | c1ccc(cc1).... |
85 | 1TYR | Kd = 0.1 uM | 9CR | C20 H28 O2 | CC1=C(C(CC.... |
86 | 1DVY | - | BPD | C21 H12 F3 N O5 | c1cc(cc(c1.... |
87 | 5HJG | Kd = 20 nM | XDI | C15 H12 Br4 O2 | CC(C)(c1cc.... |
88 | 4AC2 | - | 43F | C14 H11 Cl3 O2 | COc1cc(ccc.... |
89 | 6XTK | Kd = 0.029 uM | TCW | C14 H11 N O5 | Cc1ccc(cc1.... |
90 | 4DEU | Kd = 2.29 uM | NAR | C15 H12 O5 | c1cc(ccc1[.... |
91 | 4HJT | - | 18A | C19 H21 N O2 | CCC(=O)Nc1.... |
92 | 4QXV | - | LU2 | C15 H10 O6 | c1cc(c(cc1.... |
93 | 1BM7 | Kd = 30 nM | FLF | C14 H10 F3 N O2 | c1ccc(c(c1.... |
94 | 4L1S | - | 1W4 | C25 H24 F N O2 S | Cc1cc(cc(c.... |
95 | 5A6I | Kd = 56 nM | TCW | C14 H11 N O5 | Cc1ccc(cc1.... |
96 | 5L4F | Kd = 1.3 uM | 6J1 | C7 H6 N2 O5 | Cc1cc(c(c(.... |
97 | 4TQP | - | 48R | C18 H18 N2 O4 S | C[C@H](CON.... |
98 | 1U21 | Kd = 5 nM | P2C | C13 H9 Cl2 N O5 | c1ccc(c(c1.... |
99 | 2QGC | - | MR4 | C15 H13 N O2 | Cc1cc(cc(c.... |
100 | 2B77 | - | 3CA | C13 H8 Cl2 O3 | c1cc(c(cc1.... |
101 | 1E4H | Kd = 3.9 nM | PBR | C6 H Br5 O | c1(c(c(c(c.... |
102 | 3CN4 | - | LJ5 | C13 H9 Br2 N O2 | c1ccc(cc1).... |
103 | 5JIQ | - | 27M | C13 H10 O5 | c1cc(c(cc1.... |
104 | 4KY2 | - | 1W3 | C20 H18 O4 | Cc1cc(cc(c.... |
105 | 3IMV | - | IW5 | C14 H12 Br2 N2 | c1cc(ccc1/.... |
106 | 6TXW | Kd = 0.11 uM | TCW | C14 H11 N O5 | Cc1ccc(cc1.... |
107 | 2GAB | - | NE2 | C12 H6 Cl4 O | c1cc(c(cc1.... |
108 | 3CN0 | - | LJ1 | C16 H16 O | Cc1cc(cc(c.... |
109 | 3GS0 | - | 6BD | C17 H15 N O3 | C[C@@H](CO.... |
110 | 5E4A | - | 5JW | C15 H9 Cl2 N O3 | c1cc-2c(cc.... |
111 | 4FI6 | - | 0U7 | C14 H7 Cl2 F N2 O3 S | c1cc(cc(c1.... |
112 | 3M1O | - | CJZ | C13 H9 Cl2 N O3 | c1ccc(c(c1.... |
113 | 4L1T | - | 1WZ | C19 H21 N O3 | Cc1cc(cc(c.... |
114 | 3FCB | ic50 = 4.9 uM | IFB | C16 H12 F2 I N O4 | c1cc(c(cc1.... |
115 | 5EN3 | Kd = 620 nM | 7LU | C15 H9 Cl O5 | c1cc(c(cc1.... |
116 | 2ROX | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
117 | 4DET | Kd = 2.1 uM | KMP | C15 H10 O6 | c1cc(ccc1C.... |
118 | 4HJS | Ki = 1.2 uM | 18J | C18 H21 N O3 S | CCS(=O)(=O.... |
119 | 4I85 | - | H50 | C16 H11 Cl2 F O2 | c1cc(c(cc1.... |
120 | 1E5A | Kd = 23 nM | TBP | C6 H3 Br3 O | c1c(cc(c(c.... |
121 | 5BOJ | Kd = 100 nM | 4TX | C15 H22 O3 | Cc1ccc(c(c.... |
122 | 7ACU | ic50 = 4.3 uM | R75 | C17 H12 Br2 O3 | CCc1c(c2cc.... |
123 | 3IMW | - | IW6 | C16 H15 Br2 N O2 | COc1cccc(c.... |
124 | 4WO0 | - | AGI | C15 H10 O5 | c1cc(ccc1C.... |
125 | 1TZ8 | - | DES | C18 H20 O2 | CC/C(=C(/C.... |
126 | 4ABW | - | 42M | C14 H14 N2 O7 | COc1cc(ccc.... |
127 | 6R6I | - | H50 | C16 H11 Cl2 F O2 | c1cc(c(cc1.... |
128 | 2F8I | - | 205 | C14 H7 Cl2 N O3 | c1cc(c(c(c.... |
129 | 5AL8 | - | D75 | C21 H18 O10 | c1cc(ccc1C.... |
130 | 3CFQ | - | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
131 | 1DVS | - | STL | C14 H12 O3 | c1cc(ccc1C.... |
132 | 5AYT | Ki = 0.17 uM | L6Y | C19 H11 N O4 | c1ccc(cc1).... |
133 | 3IMT | - | IW3 | C14 H11 Br2 N O | c1cc(ccc1/.... |
134 | 2ROY | - | P28 | C17 H15 N3 O9 | CC(=O)N[C@.... |
135 | 4YDM | - | 4AJ | C14 H8 Cl2 N2 O3 | c1cc(cc(c1.... |
136 | 4PMF | - | CUR | C21 H20 O6 | COc1cc(ccc.... |
137 | 3ESN | - | DZ1 | C15 H13 Br2 N O2 | Cc1cccc(c1.... |
138 | 3B56 | - | DIU | C7 H4 I2 O3 | c1c(cc(c(c.... |
139 | 4Y9B | - | MKS | C24 H26 O6 | CC(=CCc1c(.... |
140 | 1Y1D | - | FHI | C13 H7 F2 I O3 | c1cc(c(cc1.... |
141 | 4QRF | - | QAP | C17 H16 O4 | c1ccc(cc1).... |
142 | 6R68 | - | JTK | C15 H11 Cl2 F O2 | C[C@H](c1c.... |
143 | 4DES | Kd = 1.4 uM | 57D | C15 H10 O4 | c1ccc(cc1).... |
144 | 4I87 | - | H50 | C16 H11 Cl2 F O2 | c1cc(c(cc1.... |
145 | 4N87 | - | GBJ | C20 H20 O4 | CC1(C=Cc2c.... |
146 | 4PWH | - | PWH | C14 H16 O4 | CC(=CCOC(=.... |
147 | 2B14 | - | DNF | C6 H4 N2 O5 | c1cc(c(cc1.... |
148 | 4ABQ | - | 4V2 | C8 H6 N2 O2 S | c1cc(cc(c1.... |
149 | 3NES | - | B72 | C20 H24 O4 | Cc1cc(cc(c.... |
150 | 4DEW | Kd = 0.1 uM | LU2 | C15 H10 O6 | c1cc(c(cc1.... |
151 | 4Y9E | - | MKT | C23 H24 O6 | CC(=CCc1c(.... |
152 | 6GNR | Kd = 3.61 uM | 6J3 | C13 H11 Cl N2 O2 | Cc1c(cccc1.... |
153 | 1SN5 | - | T3 | C15 H12 I3 N O4 | c1cc(c(cc1.... |
154 | 1SN0 | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
155 | 6GNM | Kd = 54.61 uM | 27M | C13 H10 O5 | c1cc(c(cc1.... |
156 | 6GOO | Kd = 2.16 uM | 8PF | C8 H F15 O2 | C(=O)(C(C(.... |
157 | 6GNP | Kd = 28.41 uM | F4Z | C5 H2 Cl3 N O | c1c(c(nc(c.... |
158 | 6GNW | Kd = 10.2 uM | F52 | C8 H5 Cl3 O3 | c1c(c(cc(c.... |
159 | 6GON | Kd = 2.16 uM | 8PF | C8 H F15 O2 | C(=O)(C(C(.... |
160 | 4PWI | - | ROA | C18 H16 O8 | c1cc(c(cc1.... |
161 | 6IMY | - | AJU | C17 H24 O8 | c1cc2c(cc1.... |
162 | 4PWF | - | PWF | C18 H18 O4 | COc1cc(ccc.... |
163 | 6R66 | - | JTN | C16 H11 Cl2 F O2 | c1cc(c(cc1.... |
164 | 4PWK | - | PWK | C20 H26 O4 | C[C@H](Cc1.... |
165 | 6R67 | - | JTE | C17 H17 F O2 | Cc1cc(cc(c.... |
166 | 4Y9F | - | MKT | C23 H24 O6 | CC(=CCc1c(.... |
167 | 6SUG | - | LVB | C14 H11 N O4 | Cc1ccc(cc1.... |
168 | 6SUH | - | LVE | C15 H13 N O5 | Cc1ccc(cc1.... |
169 | 4PWJ | - | 30Z | C18 H22 O4 | C[C@@H](Cc.... |
170 | 4Y9C | - | MKS | C24 H26 O6 | CC(=CCc1c(.... |
171 | 4Y9G | - | MKU | C24 H26 O6 | CC(=CCc1c2.... |
172 | 4N86 | - | GBJ | C20 H20 O4 | CC1(C=Cc2c.... |
173 | 4PWG | - | 0XR | C11 H12 O4 | CCOC(=O)/C.... |
174 | 1KGJ | - | FL8 | C16 H10 Br2 O4 | CC1=C(Oc2c.... |
175 | 1KGI | - | T4A | C14 H8 I4 O4 | c1c(cc(c(c.... |
176 | 1IE4 | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 2B16 | - | DNF | C6 H4 N2 O5 | c1cc(c(cc1.... |
2 | 4ABV | ic50 = 0.85 uM | FT2 | C13 H9 Cl3 O2 | c1cc(c(cc1.... |
3 | 5JID | - | 8PF | C8 H F15 O2 | C(=O)(C(C(.... |
4 | 5JIM | - | P8S | C8 H F17 O3 S | C(C(C(C(C(.... |
5 | 6TI9 | - | ND5 | C10 H9 Br2 N O4 | c1c(cc(c(c.... |
6 | 4HJU | - | 16L | C19 H19 N O2 | Cc1cc(cc(c.... |
7 | 2FLM | - | 6CA | C32 H31 N O6 | c1ccc(c(c1.... |
8 | 5AKV | - | G7G | C21 H18 O11 | c1cc(ccc1C.... |
9 | 3IMU | - | IW4 | C14 H12 Br2 N2 | c1cc(cc(c1.... |
10 | 4ABU | ic50 = 0.52 uM | FT1 | C13 H8 Cl2 O3 | c1cc(c(cc1.... |
11 | 2G5U | Kd = 3.2 nM | PCQ | C12 H6 Cl4 O2 | c1c(cc(c(c.... |
12 | 4DER | Kd = 0.49 uM | AGI | C15 H10 O5 | c1cc(ccc1C.... |
13 | 3CN3 | - | LJ4 | C12 H8 Br2 O2 | c1ccc(cc1).... |
14 | 5L4M | Kd = 4.6 uM | SBK | C7 H4 Cl3 N O3 | c1c(c(nc(c.... |
15 | 1THA | - | T33 | C15 H13 I2 N O4 | c1cc(c(cc1.... |
16 | 6GRP | Kd = 3.34 uM | F4Z | C5 H2 Cl3 N O | c1c(c(nc(c.... |
17 | 5AKS | - | R3X | C20 H20 O9 | c1cc(ccc1/.... |
18 | 3NEE | - | B72 | C20 H24 O4 | Cc1cc(cc(c.... |
19 | 3GS7 | - | 8BD | C11 H13 N O4 | COc1ccccc1.... |
20 | 4HIQ | Kd = 6.2 nM | 16V | C15 H17 F N2 O3 | Cc1c(c(n[n.... |
21 | 3IMR | - | IW1 | C14 H8 Br2 Cl2 O | c1cc(c(c(c.... |
22 | 3KGU | Kd = 1.2 uM | GEN | C15 H10 O5 | c1cc(ccc1C.... |
23 | 3ESP | - | DZ3 | C15 H13 Br2 N O3 | Cc1cc(cc(c.... |
24 | 1DVU | - | DBF | C14 H8 O5 | c1cc2c3ccc.... |
25 | 3TCT | Kd = 3 nM | 3MI | C14 H7 Cl2 N O3 | c1cc2c(cc1.... |
26 | 5E23 | - | L32 | C15 H9 Br2 N O3 | c1cc-2c(cc.... |
27 | 4QYA | - | LU2 | C15 H10 O6 | c1cc(c(cc1.... |
28 | 2FBR | - | 44C | C30 H27 N O6 | c1ccc(c(c1.... |
29 | 2F7I | - | 26C | C13 H8 F2 O2 | c1cc(c(c(c.... |
30 | 4HIS | Kd = 8.1 nM | 3MI | C14 H7 Cl2 N O3 | c1cc2c(cc1.... |
31 | 5AKT | - | R4G | C20 H20 O9 | c1cc(ccc1/.... |
32 | 5L4J | Kd = 52 uM | 6JD | C12 H10 O4 S | c1cc(ccc1O.... |
33 | 5CR1 | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
34 | 4PM1 | - | ESZ | C18 H23 Br O2 | C[C@]12CC[.... |
35 | 1DVX | - | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
36 | 1DVT | - | FLP | C15 H13 F O2 | C[C@@H](c1.... |
37 | 3IMS | - | IW2 | C14 H10 Br2 Cl2 O | c1cc(c(c(c.... |
38 | 3FC8 | ic50 = 4.1 uM | IFA | C17 H14 F2 I N O4 | COC(=O)CCN.... |
39 | 5EZP | - | IPJ | C15 H12 O2 | c1ccc(cc1).... |
40 | 3D2T | Kd = 75 nM | 1FL | C13 H8 F2 O3 | c1cc(c(cc1.... |
41 | 4D7B | Kd = 21 nM | TCW | C14 H11 N O5 | Cc1ccc(cc1.... |
42 | 6TXV | Kd = 3.1 uM | TCW | C14 H11 N O5 | Cc1ccc(cc1.... |
43 | 3KGT | Kd = 3.1 uM | GEN | C15 H10 O5 | c1cc(ccc1C.... |
44 | 3CFT | Kd = 64 uM | 5NS | C10 H9 N O3 S | c1cc2c(ccc.... |
45 | 1ETA | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
46 | 4TQH | - | ES8 | C15 H11 N O3 | c1ccc2c(c1.... |
47 | 1THC | - | FL9 | C15 H8 Br2 O6 | c1c(cc2c(c.... |
48 | 5IHH | Kd = 390 nM | 6B5 | C16 H12 O6 | COc1cc(c2c.... |
49 | 4FI7 | - | 0UA | C14 H7 Cl2 F N2 O4 S | c1cc(cc(c1.... |
50 | 2QGE | - | MR6 | C15 H13 N O | Cc1cc(cc(c.... |
51 | 3IPE | ic50 = 0.15 uM | JZE | C33 H30 Cl4 N2 O6 | c1ccc(c(c1.... |
52 | 1Z7J | - | T4A | C14 H8 I4 O4 | c1c(cc(c(c.... |
53 | 4I89 | - | 1FL | C13 H8 F2 O3 | c1cc(c(cc1.... |
54 | 2B15 | - | DNF | C6 H4 N2 O5 | c1cc(c(cc1.... |
55 | 3CN1 | - | LJ2 | C14 H10 Br2 O | c1ccc(cc1).... |
56 | 6GR7 | Kd = 3.19 uM | F52 | C8 H5 Cl3 O3 | c1c(c(cc(c.... |
57 | 1DVZ | Kd = 78 nM | OFL | C14 H10 F3 N O2 | c1ccc(c(c1.... |
58 | 2B9A | - | FBC | C13 H8 F2 O2 | c1cc(ccc1c.... |
59 | 3NEO | - | G24 | C24 H24 O4 | Cc1cc(cc(c.... |
60 | 1TT6 | - | DES | C18 H20 O2 | CC/C(=C(/C.... |
61 | 5TZL | - | IIH | C13 H6 Cl I2 N O2 | c1cc2c(c(c.... |
62 | 4TQI | - | 6BD | C17 H15 N O3 | C[C@@H](CO.... |
63 | 3NG5 | - | KDH | C22 H18 O11 | c1c(cc(c(c.... |
64 | 3CN2 | - | LJ3 | C12 H8 Br2 O | c1ccc(cc1).... |
65 | 4FI8 | - | 0UC | C14 H6 Br Cl2 F N2 O4 S | c1cc(c(cc1.... |
66 | 1ETB | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
67 | 4WNJ | - | QUE | C15 H10 O7 | c1cc(c(cc1.... |
68 | 5AL0 | - | R3S | C14 H12 O6 S | c1cc(ccc1/.... |
69 | 3CFN | Kd = 4.3 uM | 2AN | C16 H13 N O3 S | c1ccc(cc1).... |
70 | 1TLM | - | MIL | C12 H9 N3 O | CC1=C(C=C(.... |
71 | 2QGD | - | MR5 | C13 H7 Br2 N O2 | c1ccc2c(c1.... |
72 | 5L4I | Kd = 0.26 uM | 6J3 | C13 H11 Cl N2 O2 | Cc1c(cccc1.... |
73 | 4WNS | - | 3RL | C16 H16 O3 | COc1cc(cc(.... |
74 | 4YDN | - | 4B8 | C14 H8 Cl2 N2 O3 | c1cc(ccc1c.... |
75 | 3ESO | - | DZ2 | C13 H7 Br2 Cl2 N O2 | c1cc(c(cc1.... |
76 | 3GLZ | - | 1BD | C11 H10 F3 N O3 | c1ccc(c(c1.... |
77 | 2G9K | - | NE1 | C12 H5 Cl5 O | c1cc(c(c(c.... |
78 | 4TQ8 | - | 7BD | C16 H13 N O3 | c1ccc2c(c1.... |
79 | 4PME | - | CUR | C21 H20 O6 | COc1cc(ccc.... |
80 | 3NEX | - | G24 | C24 H24 O4 | Cc1cc(cc(c.... |
81 | 3GS4 | - | 7BD | C16 H13 N O3 | c1ccc2c(c1.... |
82 | 3IPB | ic50 = 0.2 uM | JZD | C37 H38 Cl4 N2 O6 | c1ccc(c(c1.... |
83 | 1F86 | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
84 | 5E4O | - | L57 | C15 H11 Cl2 N O3 | c1ccc(cc1).... |
85 | 1TYR | Kd = 0.1 uM | 9CR | C20 H28 O2 | CC1=C(C(CC.... |
86 | 1DVY | - | BPD | C21 H12 F3 N O5 | c1cc(cc(c1.... |
87 | 5HJG | Kd = 20 nM | XDI | C15 H12 Br4 O2 | CC(C)(c1cc.... |
88 | 4AC2 | - | 43F | C14 H11 Cl3 O2 | COc1cc(ccc.... |
89 | 6XTK | Kd = 0.029 uM | TCW | C14 H11 N O5 | Cc1ccc(cc1.... |
90 | 4DEU | Kd = 2.29 uM | NAR | C15 H12 O5 | c1cc(ccc1[.... |
91 | 4HJT | - | 18A | C19 H21 N O2 | CCC(=O)Nc1.... |
92 | 4QXV | - | LU2 | C15 H10 O6 | c1cc(c(cc1.... |
93 | 1BM7 | Kd = 30 nM | FLF | C14 H10 F3 N O2 | c1ccc(c(c1.... |
94 | 4L1S | - | 1W4 | C25 H24 F N O2 S | Cc1cc(cc(c.... |
95 | 5A6I | Kd = 56 nM | TCW | C14 H11 N O5 | Cc1ccc(cc1.... |
96 | 5L4F | Kd = 1.3 uM | 6J1 | C7 H6 N2 O5 | Cc1cc(c(c(.... |
97 | 4TQP | - | 48R | C18 H18 N2 O4 S | C[C@H](CON.... |
98 | 1U21 | Kd = 5 nM | P2C | C13 H9 Cl2 N O5 | c1ccc(c(c1.... |
99 | 2QGC | - | MR4 | C15 H13 N O2 | Cc1cc(cc(c.... |
100 | 2B77 | - | 3CA | C13 H8 Cl2 O3 | c1cc(c(cc1.... |
101 | 1E4H | Kd = 3.9 nM | PBR | C6 H Br5 O | c1(c(c(c(c.... |
102 | 3CN4 | - | LJ5 | C13 H9 Br2 N O2 | c1ccc(cc1).... |
103 | 5JIQ | - | 27M | C13 H10 O5 | c1cc(c(cc1.... |
104 | 4KY2 | - | 1W3 | C20 H18 O4 | Cc1cc(cc(c.... |
105 | 3IMV | - | IW5 | C14 H12 Br2 N2 | c1cc(ccc1/.... |
106 | 6TXW | Kd = 0.11 uM | TCW | C14 H11 N O5 | Cc1ccc(cc1.... |
107 | 2GAB | - | NE2 | C12 H6 Cl4 O | c1cc(c(cc1.... |
108 | 3CN0 | - | LJ1 | C16 H16 O | Cc1cc(cc(c.... |
109 | 3GS0 | - | 6BD | C17 H15 N O3 | C[C@@H](CO.... |
110 | 5E4A | - | 5JW | C15 H9 Cl2 N O3 | c1cc-2c(cc.... |
111 | 4FI6 | - | 0U7 | C14 H7 Cl2 F N2 O3 S | c1cc(cc(c1.... |
112 | 3M1O | - | CJZ | C13 H9 Cl2 N O3 | c1ccc(c(c1.... |
113 | 4L1T | - | 1WZ | C19 H21 N O3 | Cc1cc(cc(c.... |
114 | 3FCB | ic50 = 4.9 uM | IFB | C16 H12 F2 I N O4 | c1cc(c(cc1.... |
115 | 5EN3 | Kd = 620 nM | 7LU | C15 H9 Cl O5 | c1cc(c(cc1.... |
116 | 2ROX | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
117 | 4DET | Kd = 2.1 uM | KMP | C15 H10 O6 | c1cc(ccc1C.... |
118 | 4HJS | Ki = 1.2 uM | 18J | C18 H21 N O3 S | CCS(=O)(=O.... |
119 | 4I85 | - | H50 | C16 H11 Cl2 F O2 | c1cc(c(cc1.... |
120 | 1E5A | Kd = 23 nM | TBP | C6 H3 Br3 O | c1c(cc(c(c.... |
121 | 5BOJ | Kd = 100 nM | 4TX | C15 H22 O3 | Cc1ccc(c(c.... |
122 | 7ACU | ic50 = 4.3 uM | R75 | C17 H12 Br2 O3 | CCc1c(c2cc.... |
123 | 3IMW | - | IW6 | C16 H15 Br2 N O2 | COc1cccc(c.... |
124 | 4WO0 | - | AGI | C15 H10 O5 | c1cc(ccc1C.... |
125 | 1TZ8 | - | DES | C18 H20 O2 | CC/C(=C(/C.... |
126 | 4ABW | - | 42M | C14 H14 N2 O7 | COc1cc(ccc.... |
127 | 6R6I | - | H50 | C16 H11 Cl2 F O2 | c1cc(c(cc1.... |
128 | 2F8I | - | 205 | C14 H7 Cl2 N O3 | c1cc(c(c(c.... |
129 | 5AL8 | - | D75 | C21 H18 O10 | c1cc(ccc1C.... |
130 | 3CFQ | - | DIF | C14 H11 Cl2 N O2 | c1ccc(c(c1.... |
131 | 1DVS | - | STL | C14 H12 O3 | c1cc(ccc1C.... |
132 | 5AYT | Ki = 0.17 uM | L6Y | C19 H11 N O4 | c1ccc(cc1).... |
133 | 3IMT | - | IW3 | C14 H11 Br2 N O | c1cc(ccc1/.... |
134 | 2ROY | - | P28 | C17 H15 N3 O9 | CC(=O)N[C@.... |
135 | 4YDM | - | 4AJ | C14 H8 Cl2 N2 O3 | c1cc(cc(c1.... |
136 | 4PMF | - | CUR | C21 H20 O6 | COc1cc(ccc.... |
137 | 3ESN | - | DZ1 | C15 H13 Br2 N O2 | Cc1cccc(c1.... |
138 | 3B56 | - | DIU | C7 H4 I2 O3 | c1c(cc(c(c.... |
139 | 4Y9B | - | MKS | C24 H26 O6 | CC(=CCc1c(.... |
140 | 1Y1D | - | FHI | C13 H7 F2 I O3 | c1cc(c(cc1.... |
141 | 4QRF | - | QAP | C17 H16 O4 | c1ccc(cc1).... |
142 | 6R68 | - | JTK | C15 H11 Cl2 F O2 | C[C@H](c1c.... |
143 | 4DES | Kd = 1.4 uM | 57D | C15 H10 O4 | c1ccc(cc1).... |
144 | 4I87 | - | H50 | C16 H11 Cl2 F O2 | c1cc(c(cc1.... |
145 | 4N87 | - | GBJ | C20 H20 O4 | CC1(C=Cc2c.... |
146 | 4PWH | - | PWH | C14 H16 O4 | CC(=CCOC(=.... |
147 | 2B14 | - | DNF | C6 H4 N2 O5 | c1cc(c(cc1.... |
148 | 4ABQ | - | 4V2 | C8 H6 N2 O2 S | c1cc(cc(c1.... |
149 | 3NES | - | B72 | C20 H24 O4 | Cc1cc(cc(c.... |
150 | 4DEW | Kd = 0.1 uM | LU2 | C15 H10 O6 | c1cc(c(cc1.... |
151 | 4Y9E | - | MKT | C23 H24 O6 | CC(=CCc1c(.... |
152 | 6GNO | Kd = 0.18 uM | XDI | C15 H12 Br4 O2 | CC(C)(c1cc.... |
153 | 6GNR | Kd = 3.61 uM | 6J3 | C13 H11 Cl N2 O2 | Cc1c(cccc1.... |
154 | 1SN5 | - | T3 | C15 H12 I3 N O4 | c1cc(c(cc1.... |
155 | 1SN0 | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
156 | 6GNM | Kd = 54.61 uM | 27M | C13 H10 O5 | c1cc(c(cc1.... |
157 | 6GOO | Kd = 2.16 uM | 8PF | C8 H F15 O2 | C(=O)(C(C(.... |
158 | 6GNP | Kd = 28.41 uM | F4Z | C5 H2 Cl3 N O | c1c(c(nc(c.... |
159 | 6GNW | Kd = 10.2 uM | F52 | C8 H5 Cl3 O3 | c1c(c(cc(c.... |
160 | 6GON | Kd = 2.16 uM | 8PF | C8 H F15 O2 | C(=O)(C(C(.... |
161 | 4PWI | - | ROA | C18 H16 O8 | c1cc(c(cc1.... |
162 | 6IMY | - | AJU | C17 H24 O8 | c1cc2c(cc1.... |
163 | 4PWF | - | PWF | C18 H18 O4 | COc1cc(ccc.... |
164 | 6R66 | - | JTN | C16 H11 Cl2 F O2 | c1cc(c(cc1.... |
165 | 4PWK | - | PWK | C20 H26 O4 | C[C@H](Cc1.... |
166 | 6R67 | - | JTE | C17 H17 F O2 | Cc1cc(cc(c.... |
167 | 4Y9F | - | MKT | C23 H24 O6 | CC(=CCc1c(.... |
168 | 6SUG | - | LVB | C14 H11 N O4 | Cc1ccc(cc1.... |
169 | 6SUH | - | LVE | C15 H13 N O5 | Cc1ccc(cc1.... |
170 | 4PWJ | - | 30Z | C18 H22 O4 | C[C@@H](Cc.... |
171 | 4Y9C | - | MKS | C24 H26 O6 | CC(=CCc1c(.... |
172 | 4Y9G | - | MKU | C24 H26 O6 | CC(=CCc1c2.... |
173 | 4N86 | - | GBJ | C20 H20 O4 | CC1(C=Cc2c.... |
174 | 4PWG | - | 0XR | C11 H12 O4 | CCOC(=O)/C.... |
175 | 1KGJ | - | FL8 | C16 H10 Br2 O4 | CC1=C(Oc2c.... |
176 | 1KGI | - | T4A | C14 H8 I4 O4 | c1c(cc(c(c.... |
177 | 1IE4 | - | T44 | C15 H11 I4 N O4 | c1c(cc(c(c.... |
This union binding pocket(no: 1) in the query (biounit: 6sug.bio1) has 49 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6sug.bio1) has 49 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 6sug.bio1) has 49 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 6sug.bio1) has 49 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |