Receptor
PDB id Resolution Class Description Source Keywords
7BQV 1.8 Å NON-ENZYME: OTHER CEREBLON IN COMPLEX WITH SALL4 AND (S)-5-HYDROXYTHALIDOMIDE HOMO SAPIENS ZINC FINGER E3 UBIQUITIN LIGASE COMPLEX THALIDOMIDE METAPROTEIN
Ref.: STRUCTURAL BASES OF IMID SELECTIVITY THAT EMERGES B 5-HYDROXYTHALIDOMIDE. NAT COMMUN V. 11 4578 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:502;
B:501;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
SO4 B:502;
A:503;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
F4U A:501;
 Valid;
 none;
 Kd = 2.28 uM
274.229 C13 H10 N2 O5 c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
7BQV 1.8 Å NON-ENZYME: OTHER CEREBLON IN COMPLEX WITH SALL4 AND (S)-5-HYDROXYTHALIDOMIDE HOMO SAPIENS ZINC FINGER E3 UBIQUITIN LIGASE COMPLEX THALIDOMIDE METAPROTEIN
Ref.: STRUCTURAL BASES OF IMID SELECTIVITY THAT EMERGES B 5-HYDROXYTHALIDOMIDE. NAT COMMUN V. 11 4578 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 7BQV Kd = 2.28 uM F4U C13 H10 N2 O5 c1cc2c(cc1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 7BQU Kd = 4 uM EF2 C13 H10 N2 O4 c1ccc2c(c1....
2 7BQV Kd = 2.28 uM F4U C13 H10 N2 O5 c1cc2c(cc1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 7BQU Kd = 4 uM EF2 C13 H10 N2 O4 c1ccc2c(c1....
2 7BQV Kd = 2.28 uM F4U C13 H10 N2 O5 c1cc2c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F4U; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 F4U 1 1
2 EF2 0.611111 0.903846
3 6EL 0.611111 0.903846
4 Y70 0.441176 0.857143
Similar Ligands (3D)
Ligand no: 1; Ligand: F4U; Similar ligands found: 186
No: Ligand Similarity coefficient
1 JOB 0.9615
2 LVY 0.9457
3 J84 0.9431
4 GEN 0.9425
5 JO5 0.9390
6 TGW 0.9385
7 0OK 0.9385
8 4EU 0.9333
9 4NR 0.9245
10 47X 0.9230
11 IQW 0.9215
12 15Q 0.9207
13 AJ6 0.9205
14 TC8 0.9168
15 KMP 0.9167
16 TCL 0.9155
17 6DE 0.9115
18 789 0.9113
19 AGI 0.9106
20 5DE 0.9104
21 D64 0.9086
22 FCW 0.9075
23 9FG 0.9057
24 4DE 0.9046
25 KP2 0.9039
26 CU8 0.9029
27 DFL 0.9026
28 AJ4 0.9015
29 H75 0.9006
30 DFV 0.9005
31 STZ 0.8999
32 YX1 0.8999
33 3DE 0.8995
34 XYP XYP 0.8992
35 3QI 0.8986
36 ADN 0.8985
37 EI1 0.8984
38 LU2 0.8984
39 XYS XYS 0.8973
40 40N 0.8972
41 BGN 0.8968
42 1FL 0.8965
43 PFT 0.8965
44 7EH 0.8964
45 OA4 0.8957
46 H4B 0.8951
47 A5K 0.8951
48 LZJ 0.8938
49 A4N 0.8938
50 NAR 0.8933
51 XIF XYP 0.8933
52 EES 0.8919
53 KW7 0.8919
54 51Y 0.8919
55 EV2 0.8914
56 3WJ 0.8913
57 9FH 0.8900
58 5FD 0.8899
59 7L4 0.8898
60 WCU 0.8897
61 5OR 0.8886
62 H7S 0.8880
63 CC5 0.8877
64 3JC 0.8875
65 Q8G 0.8874
66 XYP XIF 0.8868
67 1HP 0.8859
68 57D 0.8855
69 C93 0.8851
70 KXN 0.8848
71 FMQ 0.8847
72 A4T 0.8841
73 RFZ 0.8841
74 LP8 0.8840
75 QME 0.8835
76 W23 0.8834
77 Y3J 0.8832
78 0J4 0.8824
79 S0G 0.8819
80 PZ8 0.8817
81 JFS 0.8817
82 FT1 0.8817
83 FB4 0.8816
84 6DQ 0.8813
85 TRP 0.8812
86 J27 0.8808
87 AUT 0.8801
88 BMC 0.8796
89 XYP XYS 0.8795
90 Q8D 0.8793
91 QUE 0.8792
92 1Q4 0.8792
93 4MP 0.8788
94 XYP XDN 0.8782
95 2JX 0.8782
96 HMO 0.8780
97 MTA 0.8777
98 1CY 0.8777
99 1SF 0.8770
100 VIB 0.8765
101 5C1 0.8763
102 AFX 0.8763
103 5AD 0.8763
104 4L2 0.8762
105 8OB 0.8751
106 FT6 0.8749
107 H52 0.8748
108 XYS XYP 0.8747
109 7QV 0.8744
110 XIL 0.8743
111 0LA 0.8742
112 AU8 0.8738
113 42R 0.8737
114 92O 0.8733
115 RSV 0.8731
116 PQS 0.8726
117 5I5 0.8721
118 A4Q 0.8717
119 A18 0.8714
120 0DF 0.8714
121 CP6 0.8710
122 U4J 0.8709
123 DBE 0.8707
124 L3L 0.8705
125 DCN 0.8703
126 FT3 0.8702
127 XDN XYP 0.8701
128 C2M 0.8700
129 NOC 0.8700
130 26C 0.8697
131 NPS 0.8696
132 JSX 0.8696
133 3WL 0.8690
134 54E 0.8687
135 ARJ 0.8686
136 CTN 0.8685
137 1A5 0.8685
138 205 0.8681
139 XDL XYP 0.8680
140 GJG 0.8676
141 3WK 0.8675
142 3AD 0.8675
143 AVX 0.8675
144 NVS 0.8666
145 HBI 0.8665
146 CUT 0.8663
147 0J2 0.8662
148 RKN 0.8656
149 DQH 0.8647
150 7VF 0.8647
151 96Z 0.8636
152 Y0V 0.8636
153 M77 0.8634
154 FT2 0.8634
155 7GY 0.8631
156 NAL 0.8626
157 EP4 0.8624
158 7FZ 0.8622
159 FHI 0.8620
160 S1D 0.8618
161 6MD 0.8617
162 CUH 0.8611
163 64I 0.8606
164 RAB 0.8602
165 OSY 0.8598
166 GFE 0.8596
167 QS4 0.8589
168 CHV 0.8585
169 G14 0.8581
170 H2B 0.8572
171 2L1 0.8569
172 R18 0.8562
173 NIY 0.8561
174 7G1 0.8556
175 P2L 0.8556
176 M16 0.8556
177 1OT 0.8550
178 VBC 0.8549
179 5CD 0.8548
180 1GM 0.8543
181 17M 0.8535
182 9KZ 0.8533
183 A6H 0.8525
184 Q4G 0.8525
185 OUA 0.8516
186 XG1 0.8501
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 7BQV; Ligand: F4U; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 7bqv.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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