Receptor
PDB id Resolution Class Description Source Keywords
6HAZ 1.31 Å EC: 3.6.4.- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN SMARCA2 IN COM SMARCA-BD LIGAND HOMO SAPIENS BROMODOMAIN GENE REGULATION
Ref.: BAF COMPLEX VULNERABILITIES IN CANCER DEMONSTRATED STRUCTURE-BASED PROTAC DESIGN. NAT.CHEM.BIOL. V. 15 672 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1502;
B:1502;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
FX5 B:1501;
A:1501;
 Valid;
Valid;
 none;
none;
 submit data
272.326 C14 H18 N5 O c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6HAZ 1.31 Å EC: 3.6.4.- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN SMARCA2 IN COM SMARCA-BD LIGAND HOMO SAPIENS BROMODOMAIN GENE REGULATION
Ref.: BAF COMPLEX VULNERABILITIES IN CANCER DEMONSTRATED STRUCTURE-BASED PROTAC DESIGN. NAT.CHEM.BIOL. V. 15 672 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 6HAZ - FX5 C14 H18 N5 O c1ccc(c(c1....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 6HAZ - FX5 C14 H18 N5 O c1ccc(c(c1....
2 3UVD - MB3 C5 H9 N O CN1CCCC1=O
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 5II1 - 6BL C11 H8 N2 O2 Cc1c-2c([n....
2 5HRV - 64C C12 H10 N2 O2 CCc1c-2c([....
3 3MB4 - MB3 C5 H9 N O CN1CCCC1=O
4 5FH6 - 5XM C17 H21 N3 O c1ccc2c(c1....
5 5II2 - LU2 C15 H10 O6 c1cc(c(cc1....
6 5FH8 Kd = 170 nM 5XK C17 H19 Cl N2 O CCC(CC)Cc1....
7 5IID - 6BK C15 H10 O5 c1cc(c2c(c....
8 5HRW - 64E C13 H12 N2 O2 CCCc1c-2c(....
9 5HRX - 64F C14 H14 N2 O2 CCCCc1c-2c....
10 5FH7 Kd = 137 nM 5XL C14 H14 Cl N3 O CN(C)Cc1cc....
11 6HAZ - FX5 C14 H18 N5 O c1ccc(c(c1....
12 3UVD - MB3 C5 H9 N O CN1CCCC1=O
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FX5; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FX5 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: FX5; Similar ligands found: 229
No: Ligand Similarity coefficient
1 5KN 0.9427
2 SNJ 0.9386
3 VRV 0.9214
4 9XZ 0.9184
5 KXN 0.9177
6 LIG 0.9173
7 43G 0.9168
8 QUE 0.9152
9 3WL 0.9144
10 KMP 0.9124
11 WDW 0.9124
12 HKK 0.9121
13 69W 0.9120
14 BHF 0.9109
15 SU9 0.9105
16 Q7U 0.9076
17 Q8D 0.9074
18 0SX 0.9056
19 6XC 0.9054
20 WM9 0.9053
21 MRI 0.9052
22 J8G 0.9048
23 CC6 0.9047
24 FOY 0.9029
25 HWB 0.9028
26 0MB 0.9024
27 K4T 0.9022
28 40N 0.9017
29 DQH 0.9016
30 4B2 0.9009
31 FSE 0.9007
32 4RV 0.9005
33 RF2 0.8990
34 MYU 0.8989
35 36K 0.8983
36 6HV 0.8978
37 34L 0.8978
38 20P 0.8969
39 9ME 0.8964
40 LNN 0.8960
41 Q8G 0.8956
42 DH2 0.8951
43 OL8 0.8945
44 3XL 0.8944
45 UMP 0.8942
46 T1D 0.8940
47 6JJ 0.8940
48 362 0.8931
49 JVB 0.8930
50 2GE 0.8921
51 ROL 0.8917
52 TVC 0.8914
53 7G2 0.8912
54 PZB 0.8909
55 T21 0.8909
56 U12 0.8908
57 39R 0.8908
58 6JM 0.8899
59 U14 0.8892
60 6JO 0.8881
61 9MK 0.8881
62 VVQ 0.8876
63 UUL 0.8866
64 3QI 0.8866
65 O9Z 0.8865
66 BIT 0.8863
67 MYC 0.8863
68 8RK 0.8859
69 IRH 0.8855
70 57U 0.8852
71 S45 0.8850
72 PFT 0.8847
73 E6Q 0.8846
74 K8W 0.8846
75 4B8 0.8845
76 BL4 0.8840
77 KCH 0.8839
78 57D 0.8837
79 22T 0.8834
80 36I 0.8834
81 P34 0.8831
82 STS 0.8830
83 0LO 0.8824
84 3JC 0.8822
85 BZM 0.8819
86 4QX 0.8817
87 SO7 0.8817
88 NAR 0.8817
89 JHY 0.8817
90 AJ4 0.8816
91 4UB 0.8811
92 Q92 0.8810
93 4AJ 0.8809
94 UN9 0.8805
95 0OM 0.8805
96 GB2 0.8805
97 6HW 0.8802
98 QUP 0.8800
99 KK7 0.8799
100 6FX 0.8790
101 6F3 0.8790
102 DDC 0.8784
103 UN3 0.8784
104 BL7 0.8782
105 LJ5 0.8780
106 YE6 0.8780
107 O9Q 0.8779
108 272 0.8777
109 67B 0.8775
110 BL6 0.8771
111 7XX 0.8771
112 SAK 0.8770
113 TCR 0.8769
114 88X 0.8767
115 77X 0.8766
116 FNT 0.8764
117 4L2 0.8756
118 0DF 0.8753
119 X8E 0.8751
120 D25 0.8751
121 O9T 0.8751
122 AGI 0.8750
123 1V4 0.8749
124 1V3 0.8748
125 AUE 0.8745
126 BBP 0.8744
127 HH6 0.8744
128 DFL 0.8743
129 V2Z 0.8743
130 97K 0.8741
131 S0J 0.8741
132 0H5 0.8740
133 PIQ 0.8732
134 4HG 0.8731
135 1HP 0.8729
136 20D 0.8727
137 DFV 0.8726
138 BTD 0.8724
139 4R0 0.8724
140 IDZ 0.8717
141 GQZ 0.8715
142 ML2 0.8712
143 MQS 0.8711
144 LU2 0.8709
145 AO 0.8707
146 6B5 0.8706
147 9RK 0.8703
148 FL8 0.8698
149 1CE 0.8696
150 L47 0.8691
151 62D 0.8687
152 3DE 0.8686
153 CWE 0.8686
154 DX2 0.8684
155 MT6 0.8683
156 KWV 0.8682
157 824 0.8682
158 QNI 0.8682
159 VKE 0.8680
160 E3U 0.8680
161 L02 0.8680
162 SDN 0.8680
163 KU1 0.8678
164 Q2S 0.8672
165 PVP 0.8671
166 CUE 0.8671
167 UI2 0.8669
168 IPJ 0.8668
169 FO2 0.8667
170 7EH 0.8667
171 DX7 0.8665
172 6NZ 0.8664
173 DTQ 0.8662
174 OAQ 0.8662
175 VI 0.8661
176 6DQ 0.8649
177 FLF 0.8646
178 JWS 0.8646
179 517 0.8645
180 7M5 0.8644
181 4AU 0.8634
182 A73 0.8631
183 AED 0.8630
184 658 0.8628
185 1YL 0.8627
186 CU8 0.8626
187 P4L 0.8625
188 1V1 0.8624
189 T5J 0.8622
190 A05 0.8618
191 NOM 0.8617
192 28E 0.8611
193 HHB 0.8610
194 5NN 0.8607
195 801 0.8606
196 T3P 0.8605
197 6QT 0.8604
198 LI4 0.8601
199 DCM 0.8595
200 3C5 0.8592
201 122 0.8591
202 YZ9 0.8591
203 AJ6 0.8588
204 UFP 0.8586
205 761 0.8584
206 NRA 0.8579
207 4ZK 0.8571
208 7M2 0.8571
209 VII 0.8570
210 797 0.8570
211 0UL 0.8570
212 5ZM 0.8569
213 OSY 0.8569
214 D64 0.8564
215 CZ0 0.8564
216 0QR 0.8559
217 3DV 0.8558
218 LF5 0.8554
219 3GX 0.8553
220 PZX 0.8549
221 K48 0.8544
222 25F 0.8539
223 49P 0.8537
224 7CS 0.8536
225 L1T 0.8520
226 A9E 0.8516
227 4RG 0.8514
228 KOM 0.8510
229 AZN 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6HAZ; Ligand: FX5; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 6haz.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 6HDN FZB 27.6423
Pocket No.: 2; Query (leader) PDB : 6HAZ; Ligand: FX5; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 6haz.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 6HDN FZB 27.6423
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