Receptor
PDB id Resolution Class Description Source Keywords
5F32 2.05 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 40 HOMO SAPIENS OXIDOREDUCTASE EPIGENETICS DEMETHYLASE INHIBITOR
Ref.: 8-SUBSTITUTED PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONE DERI AS POTENT, CELL PERMEABLE, KDM4 (JMJD2) AND KDM5 (J HISTONE LYSINE DEMETHYLASE INHIBITORS. J.MED.CHEM. V. 59 1388 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:402;
C:401;
A:401;
B:401;
B:402;
C:402;
D:401;
D:402;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
GOL A:406;
D:409;
B:406;
D:408;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
EDO B:405;
D:406;
D:407;
A:405;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
5V7 B:403;
A:403;
C:403;
D:403;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
ic50 = 11.5 uM
245.26 C10 H7 N5 O S c1cnc...
DMS C:405;
A:404;
C:404;
B:404;
D:404;
D:405;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6H4R 2.14 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF HUMAN KDM4A IN COMPLEX WITH COMPOUND 17 HOMO SAPIENS HISTONE DEMETHYLASE INHIBITOR TRANSCRIPTION OXIDOREDUCTAS
Ref.: C8-SUBSTITUTED PYRIDO[3,4-D]PYRIMIDIN-4(3H)-ONES: S TOWARDS THE IDENTIFICATION OF POTENT, CELL PENETRAN C DOMAIN CONTAINING HISTONE LYSINE DEMETHYLASE 4 SU (KDM4) INHIBITORS, COMPOUND PROFILING IN CELL-BASED ENGAGEMENT ASSAYS. EUR.J.MED.CHEM.
Members (38)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 6H4T Ki = 0.004 uM FOW C25 H26 N6 O c1ccc2c(c1....
2 5A7P - 6Z1 C17 H13 N3 O5 Cc1cc(no1)....
3 5ANQ ic50 = 3.98 uM 5YQ C16 H13 N5 O2 c1cc(cnc1)....
4 6H4Q ic50 = 2.06 uM FO2 C16 H18 N6 O CN1CCC(CC1....
5 2OQ6 - OGA C4 H5 N O5 C(C(=O)O)N....
6 2OX0 - OGA C4 H5 N O5 C(C(=O)O)N....
7 6H4S Ki = 0.002 uM FQE C27 H33 N7 O CN(C)CCc1c....
8 5F3G ic50 = 0.126 uM 5UL C24 H25 Cl N6 O c1cc(ccc1C....
9 5A7Q - KCH C12 H10 N2 O3 c1cc(c(cc1....
10 6H4P Ki = 0.003 uM FQ5 C23 H23 Cl N6 O c1cc(cc(c1....
11 5A7N - VAO C13 H8 N2 O3 c1cc(c(cc1....
12 5F3E ic50 = 0.138 uM 5UO C23 H23 Cl N6 O c1cc(ccc1C....
13 2GP5 - AKG C5 H6 O5 C(CC(=O)O)....
14 6H4V ic50 = 0.613 uM FQN C20 H24 N6 O c1cnc(c2c1....
15 6H4O ic50 = 0.128 uM FQH C24 H23 F3 N6 O c1cc(cc(c1....
16 2OT7 - OGA C4 H5 N O5 C(C(=O)O)N....
17 6H4U - FO2 C16 H18 N6 O CN1CCC(CC1....
18 5A7S - S2X C14 H12 N2 O4 CC(=O)Nc1c....
19 6H4R Ki = 0.004 nM FQB C27 H33 N7 O CN(C)CCc1c....
20 4AI9 - DZA C6 H12 N2 O3 CN(C)NC(=O....
21 3U4S Ki = 114 nM ALA ARG M3L SER CYS GLY GLY LYS 08P n/a n/a
22 3PDQ ic50 = 0.18 uM KC6 C14 H14 N4 O3 c1cnc(cc1C....
23 5F3C ic50 = 0.9 uM 5U8 C20 H19 F N6 O CN(CCc1cnn....
24 5F32 ic50 = 11.5 uM 5V7 C10 H7 N5 O S c1cnc(c2c1....
25 4URA ic50 = 0.00000316 uM LEL C8 H6 N4 O2 c1cnc(cc1C....
26 5F2S ic50 = 0.2 uM 5TZ C9 H7 N3 O2 S c1cnc(cc1C....
27 2YBK ic50 = 24 uM 2HG C5 H8 O5 C(CC(=O)O)....
28 5TVR - AKG C5 H6 O5 C(CC(=O)O)....
29 5A80 - 9CJ C21 H18 N2 O5 COc1cccc(c....
30 6H4Y ic50 = 0.077 uM FO8 C29 H35 N7 O2 c1cc(ccc1C....
31 5A7O - 7WH C15 H14 N2 O5 COCC(=O)Nc....
32 6CG1 - QC1 C13 H11 F N2 O2 c1cc(ccc1C....
33 5F37 ic50 = 1.7 uM N5J C7 H5 N3 O c1cncc2c1C....
34 6H4X ic50 = 0.131 uM FNQ C28 H27 N7 O c1cc(cnc1)....
35 6CG2 - QC2 C15 H11 N3 O3 c1cc(cc(c1....
36 2OQ7 - OGA C4 H5 N O5 C(C(=O)O)N....
37 5FPV - MMK C15 H22 N4 O3 CCN(/C=C/N....
38 5F3I ic50 = 0.08 uM 5UJ C23 H22 Cl2 N6 O c1cnc(c2c1....
70% Homology Family (49)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 6H4T Ki = 0.004 uM FOW C25 H26 N6 O c1ccc2c(c1....
2 5A7P - 6Z1 C17 H13 N3 O5 Cc1cc(no1)....
3 5ANQ ic50 = 3.98 uM 5YQ C16 H13 N5 O2 c1cc(cnc1)....
4 6H4Q ic50 = 2.06 uM FO2 C16 H18 N6 O CN1CCC(CC1....
5 2OQ6 - OGA C4 H5 N O5 C(C(=O)O)N....
6 2OX0 - OGA C4 H5 N O5 C(C(=O)O)N....
7 6H4S Ki = 0.002 uM FQE C27 H33 N7 O CN(C)CCc1c....
8 5F3G ic50 = 0.126 uM 5UL C24 H25 Cl N6 O c1cc(ccc1C....
9 5A7Q - KCH C12 H10 N2 O3 c1cc(c(cc1....
10 6H4P Ki = 0.003 uM FQ5 C23 H23 Cl N6 O c1cc(cc(c1....
11 5A7N - VAO C13 H8 N2 O3 c1cc(c(cc1....
12 5F3E ic50 = 0.138 uM 5UO C23 H23 Cl N6 O c1cc(ccc1C....
13 2GP5 - AKG C5 H6 O5 C(CC(=O)O)....
14 6H4V ic50 = 0.613 uM FQN C20 H24 N6 O c1cnc(c2c1....
15 6H4O ic50 = 0.128 uM FQH C24 H23 F3 N6 O c1cc(cc(c1....
16 2OT7 - OGA C4 H5 N O5 C(C(=O)O)N....
17 6H4U - FO2 C16 H18 N6 O CN1CCC(CC1....
18 5A7S - S2X C14 H12 N2 O4 CC(=O)Nc1c....
19 6H4R Ki = 0.004 nM FQB C27 H33 N7 O CN(C)CCc1c....
20 4AI9 - DZA C6 H12 N2 O3 CN(C)NC(=O....
21 3U4S Ki = 114 nM ALA ARG M3L SER CYS GLY GLY LYS 08P n/a n/a
22 3PDQ ic50 = 0.18 uM KC6 C14 H14 N4 O3 c1cnc(cc1C....
23 5F3C ic50 = 0.9 uM 5U8 C20 H19 F N6 O CN(CCc1cnn....
24 5F32 ic50 = 11.5 uM 5V7 C10 H7 N5 O S c1cnc(c2c1....
25 4URA ic50 = 0.00000316 uM LEL C8 H6 N4 O2 c1cnc(cc1C....
26 5F2S ic50 = 0.2 uM 5TZ C9 H7 N3 O2 S c1cnc(cc1C....
27 2YBK ic50 = 24 uM 2HG C5 H8 O5 C(CC(=O)O)....
28 5TVR - AKG C5 H6 O5 C(CC(=O)O)....
29 5A80 - 9CJ C21 H18 N2 O5 COc1cccc(c....
30 6H4Y ic50 = 0.077 uM FO8 C29 H35 N7 O2 c1cc(ccc1C....
31 5A7O - 7WH C15 H14 N2 O5 COCC(=O)Nc....
32 6CG1 - QC1 C13 H11 F N2 O2 c1cc(ccc1C....
33 5F37 ic50 = 1.7 uM N5J C7 H5 N3 O c1cncc2c1C....
34 6H4X ic50 = 0.131 uM FNQ C28 H27 N7 O c1cc(cnc1)....
35 6CG2 - QC2 C15 H11 N3 O3 c1cc(cc(c1....
36 2OQ7 - OGA C4 H5 N O5 C(C(=O)O)N....
37 5FPV - MMK C15 H22 N4 O3 CCN(/C=C/N....
38 5F3I ic50 = 0.08 uM 5UJ C23 H22 Cl2 N6 O c1cnc(c2c1....
39 5KR7 ic50 = 2.88 uM 6X9 C11 H12 N4 O CCC1=C(Nc2....
40 4XDO ic50 = 84 uM OGA C4 H5 N O5 C(C(=O)O)N....
41 5FP4 ic50 = 0.251 uM YC8 C16 H16 N2 O3 c1ccc(cc1)....
42 5FP7 - YC8 C16 H16 N2 O3 c1ccc(cc1)....
43 5F5C - 5V3 C15 H14 N4 O c1ccc(cc1)....
44 5FP8 - AUY C12 H12 N2 O2 S Cc1cc(sc1)....
45 5F5A - 5V0 C12 H12 N2 O3 c1cc(oc1)C....
46 5FP9 ic50 = 1.585 uM 4SV C6 H6 N2 O2 c1cncc(c1C....
47 5FPA - N5J C7 H5 N3 O c1cncc2c1C....
48 5FPB - HA6 C10 H7 N5 O2 c1cncc2c1C....
49 4HON - THR ALA ARG M3L SER THR GLY GLY LYS ALA n/a n/a
50% Homology Family (50)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 6H4T Ki = 0.004 uM FOW C25 H26 N6 O c1ccc2c(c1....
2 5A7P - 6Z1 C17 H13 N3 O5 Cc1cc(no1)....
3 5ANQ ic50 = 3.98 uM 5YQ C16 H13 N5 O2 c1cc(cnc1)....
4 6H4Q ic50 = 2.06 uM FO2 C16 H18 N6 O CN1CCC(CC1....
5 2OQ6 - OGA C4 H5 N O5 C(C(=O)O)N....
6 2OX0 - OGA C4 H5 N O5 C(C(=O)O)N....
7 6H4S Ki = 0.002 uM FQE C27 H33 N7 O CN(C)CCc1c....
8 5F3G ic50 = 0.126 uM 5UL C24 H25 Cl N6 O c1cc(ccc1C....
9 5A7Q - KCH C12 H10 N2 O3 c1cc(c(cc1....
10 6H4P Ki = 0.003 uM FQ5 C23 H23 Cl N6 O c1cc(cc(c1....
11 5A7N - VAO C13 H8 N2 O3 c1cc(c(cc1....
12 5F3E ic50 = 0.138 uM 5UO C23 H23 Cl N6 O c1cc(ccc1C....
13 2GP5 - AKG C5 H6 O5 C(CC(=O)O)....
14 6H4V ic50 = 0.613 uM FQN C20 H24 N6 O c1cnc(c2c1....
15 6H4O ic50 = 0.128 uM FQH C24 H23 F3 N6 O c1cc(cc(c1....
16 2OT7 - OGA C4 H5 N O5 C(C(=O)O)N....
17 6H4U - FO2 C16 H18 N6 O CN1CCC(CC1....
18 5A7S - S2X C14 H12 N2 O4 CC(=O)Nc1c....
19 6H4R Ki = 0.004 nM FQB C27 H33 N7 O CN(C)CCc1c....
20 4AI9 - DZA C6 H12 N2 O3 CN(C)NC(=O....
21 3U4S Ki = 114 nM ALA ARG M3L SER CYS GLY GLY LYS 08P n/a n/a
22 3PDQ ic50 = 0.18 uM KC6 C14 H14 N4 O3 c1cnc(cc1C....
23 5F3C ic50 = 0.9 uM 5U8 C20 H19 F N6 O CN(CCc1cnn....
24 5F32 ic50 = 11.5 uM 5V7 C10 H7 N5 O S c1cnc(c2c1....
25 4URA ic50 = 0.00000316 uM LEL C8 H6 N4 O2 c1cnc(cc1C....
26 5F2S ic50 = 0.2 uM 5TZ C9 H7 N3 O2 S c1cnc(cc1C....
27 2YBK ic50 = 24 uM 2HG C5 H8 O5 C(CC(=O)O)....
28 5TVR - AKG C5 H6 O5 C(CC(=O)O)....
29 5A80 - 9CJ C21 H18 N2 O5 COc1cccc(c....
30 6H4Y ic50 = 0.077 uM FO8 C29 H35 N7 O2 c1cc(ccc1C....
31 5A7O - 7WH C15 H14 N2 O5 COCC(=O)Nc....
32 6CG1 - QC1 C13 H11 F N2 O2 c1cc(ccc1C....
33 5F37 ic50 = 1.7 uM N5J C7 H5 N3 O c1cncc2c1C....
34 6H4X ic50 = 0.131 uM FNQ C28 H27 N7 O c1cc(cnc1)....
35 6CG2 - QC2 C15 H11 N3 O3 c1cc(cc(c1....
36 2OQ7 - OGA C4 H5 N O5 C(C(=O)O)N....
37 5FPV - MMK C15 H22 N4 O3 CCN(/C=C/N....
38 5F3I ic50 = 0.08 uM 5UJ C23 H22 Cl2 N6 O c1cnc(c2c1....
39 3OPT - AKG C5 H6 O5 C(CC(=O)O)....
40 5KR7 ic50 = 2.88 uM 6X9 C11 H12 N4 O CCC1=C(Nc2....
41 4XDO ic50 = 84 uM OGA C4 H5 N O5 C(C(=O)O)N....
42 5FP4 ic50 = 0.251 uM YC8 C16 H16 N2 O3 c1ccc(cc1)....
43 5FP7 - YC8 C16 H16 N2 O3 c1ccc(cc1)....
44 5F5C - 5V3 C15 H14 N4 O c1ccc(cc1)....
45 5FP8 - AUY C12 H12 N2 O2 S Cc1cc(sc1)....
46 5F5A - 5V0 C12 H12 N2 O3 c1cc(oc1)C....
47 5FP9 ic50 = 1.585 uM 4SV C6 H6 N2 O2 c1cncc(c1C....
48 5FPA - N5J C7 H5 N3 O c1cncc2c1C....
49 5FPB - HA6 C10 H7 N5 O2 c1cncc2c1C....
50 4HON - THR ALA ARG M3L SER THR GLY GLY LYS ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5V7; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5V7 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 5V7; Similar ligands found: 855
No: Ligand Similarity coefficient
1 KF5 0.9630
2 22L 0.9560
3 96R 0.9509
4 5NN 0.9502
5 54X 0.9497
6 KP2 0.9485
7 3GX 0.9485
8 MN QAY 0.9484
9 F40 0.9468
10 DXK 0.9466
11 7L4 0.9453
12 MFR 0.9431
13 LL1 0.9431
14 9CE 0.9415
15 DRG 0.9413
16 ZME 0.9393
17 1Q4 0.9392
18 P4L 0.9388
19 1V4 0.9385
20 YE7 0.9381
21 3IL 0.9369
22 AMR 0.9364
23 2GQ 0.9357
24 II4 0.9350
25 5TZ 0.9341
26 VM1 0.9330
27 1V3 0.9321
28 NOC 0.9320
29 ARJ 0.9320
30 2QU 0.9313
31 M78 0.9308
32 JCZ 0.9299
33 5E5 0.9299
34 Q0K 0.9298
35 BIO 0.9297
36 B56 0.9295
37 M5H 0.9291
38 4AB 0.9289
39 3WO 0.9288
40 3WN 0.9288
41 TQU 0.9285
42 CHQ 0.9285
43 CC5 0.9283
44 A73 0.9283
45 1DR 0.9267
46 5AD 0.9263
47 25F 0.9262
48 3Y7 0.9259
49 AC2 0.9251
50 4KL 0.9250
51 96U 0.9248
52 N91 0.9246
53 ELH 0.9245
54 OX2 0.9245
55 9F8 0.9243
56 M3W 0.9242
57 RVE 0.9242
58 0DF 0.9241
59 H2B 0.9241
60 HBI 0.9241
61 DX2 0.9240
62 IQZ 0.9239
63 3D8 0.9239
64 1QP 0.9239
65 5B2 0.9237
66 CX4 0.9236
67 IOP 0.9231
68 XFE 0.9228
69 5TY 0.9225
70 CUH 0.9223
71 QMS 0.9220
72 VT3 0.9218
73 EVO 0.9218
74 NEU 0.9218
75 3WK 0.9217
76 B61 0.9216
77 DFL 0.9214
78 Q4G 0.9213
79 CDJ 0.9212
80 3WJ 0.9211
81 GZV 0.9210
82 1V1 0.9210
83 9UL 0.9210
84 PIQ 0.9208
85 92O 0.9208
86 KYA 0.9206
87 JXK 0.9200
88 89J 0.9198
89 20D 0.9198
90 TCR 0.9197
91 GNG 0.9196
92 49P 0.9196
93 ZHA 0.9191
94 3L1 0.9190
95 C9E 0.9190
96 W8L 0.9187
97 SZ5 0.9187
98 6DQ 0.9187
99 5F5 0.9184
100 KOM 0.9180
101 7I2 0.9180
102 MD6 0.9178
103 9OF 0.9178
104 AVA 0.9176
105 2JX 0.9172
106 LEL 0.9170
107 363 0.9169
108 JTA 0.9167
109 8GK 0.9167
110 3F4 0.9166
111 X0T 0.9164
112 LP8 0.9164
113 LDR 0.9163
114 92P 0.9161
115 78Y 0.9159
116 AUV 0.9158
117 H2W 0.9157
118 30G 0.9157
119 ZYQ 0.9156
120 2P3 0.9156
121 WLH 0.9154
122 JY4 0.9153
123 NEO 0.9152
124 GNV 0.9152
125 2QV 0.9152
126 M4E 0.9151
127 5P3 0.9151
128 NYJ 0.9151
129 KLK 0.9150
130 RGK 0.9149
131 C0W 0.9144
132 LLT 0.9143
133 ARP 0.9140
134 6HP 0.9137
135 3J8 0.9137
136 8DA 0.9137
137 EXR 0.9137
138 68A 0.9135
139 THM 0.9134
140 V1T 0.9133
141 VUP 0.9132
142 C4E 0.9132
143 9AP 0.9131
144 THA 0.9131
145 BPU 0.9130
146 67Y 0.9130
147 4NR 0.9128
148 5F8 0.9126
149 J38 0.9126
150 0FK 0.9122
151 GI1 0.9122
152 6PB 0.9122
153 ADN 0.9122
154 GA2 0.9116
155 6J9 0.9115
156 NKI 0.9114
157 5FL 0.9113
158 HHS 0.9113
159 9FH 0.9113
160 HBO 0.9112
161 96Z 0.9112
162 833 0.9111
163 0LO 0.9110
164 D80 0.9108
165 4ZF 0.9107
166 YZ9 0.9106
167 3D1 0.9106
168 AVX 0.9101
169 ITE 0.9100
170 ANF 0.9099
171 A5H 0.9099
172 LFN 0.9096
173 XJ2 0.9094
174 CR1 0.9093
175 C2Y 0.9093
176 LI7 0.9092
177 E9L 0.9091
178 EV2 0.9091
179 H4B 0.9091
180 ONZ 0.9090
181 L07 0.9090
182 28N 0.9089
183 DNA 0.9088
184 7AP 0.9087
185 BQ2 0.9085
186 PE2 0.9085
187 9TF 0.9084
188 XG1 0.9083
189 7MX 0.9082
190 Z21 0.9081
191 X2M 0.9081
192 TRP 0.9081
193 DBQ 0.9079
194 B23 0.9079
195 ANC 0.9079
196 E1K 0.9079
197 OPA 0.9078
198 6JO 0.9076
199 JR2 0.9076
200 2LY 0.9076
201 F5C 0.9076
202 RKV 0.9075
203 7ZL 0.9075
204 8G6 0.9074
205 AXX 0.9074
206 1FE 0.9072
207 IQQ 0.9071
208 1QV 0.9068
209 0UL 0.9068
210 7M2 0.9068
211 64C 0.9066
212 FCD 0.9065
213 2JK 0.9064
214 COL 0.9064
215 AA 0.9063
216 RUG 0.9062
217 BGU 0.9062
218 GXG 0.9061
219 CKA 0.9061
220 57D 0.9060
221 5SJ 0.9060
222 0OK 0.9059
223 LWS 0.9057
224 JYE 0.9056
225 DDC 0.9055
226 JY2 0.9055
227 BHS 0.9054
228 MXD 0.9052
229 HA6 0.9052
230 774 0.9051
231 IQW 0.9051
232 9BF 0.9050
233 DNQ 0.9049
234 28S 0.9047
235 8MO 0.9047
236 M3Q 0.9045
237 S60 0.9044
238 OTA 0.9044
239 MEX 0.9044
240 25O 0.9042
241 IDZ 0.9042
242 4Z9 0.9038
243 0FR 0.9037
244 8HC 0.9037
245 8HG 0.9036
246 NRA 0.9035
247 M6Z 0.9034
248 JYT 0.9034
249 JP2 0.9030
250 DTR 0.9030
251 27M 0.9030
252 537 0.9029
253 6TJ 0.9029
254 6QF 0.9027
255 0SY 0.9026
256 JXT 0.9025
257 X04 0.9024
258 BBY 0.9023
259 QZ8 0.9022
260 8WZ 0.9020
261 344 0.9020
262 3WL 0.9019
263 PEY 0.9018
264 5WT 0.9017
265 G6P 0.9016
266 3SU 0.9015
267 A1Y 0.9014
268 L5D 0.9014
269 2AN 0.9014
270 MDR 0.9013
271 6QT 0.9012
272 D87 0.9010
273 B5A 0.9010
274 LUM 0.9010
275 LTN 0.9010
276 EYM 0.9008
277 I2E 0.9007
278 GO2 0.9004
279 0DN 0.9003
280 8SK 0.9002
281 JYK 0.9002
282 BA5 0.9001
283 EAE 0.9001
284 4I8 0.9001
285 YE6 0.9000
286 EWG 0.8999
287 5I5 0.8998
288 ZYW 0.8998
289 38B 0.8997
290 SYE 0.8996
291 5JT 0.8996
292 A6W 0.8995
293 22T 0.8995
294 SNI 0.8995
295 AJD 0.8994
296 LIG 0.8992
297 2K8 0.8991
298 19E 0.8990
299 TXQ 0.8989
300 PZ8 0.8987
301 XTS 0.8985
302 6XC 0.8985
303 5ER 0.8983
304 BPY 0.8981
305 EYA 0.8980
306 B86 0.8980
307 Q5M 0.8979
308 BJ4 0.8979
309 U7E 0.8978
310 1X8 0.8977
311 B21 0.8977
312 LZB 0.8974
313 2D2 0.8971
314 7FF 0.8969
315 5WN 0.8968
316 JFS 0.8966
317 5OF 0.8966
318 FCW 0.8965
319 Y3L 0.8965
320 R4E 0.8964
321 9GP 0.8962
322 UQ1 0.8962
323 B4L 0.8959
324 IBM 0.8959
325 XEV 0.8956
326 39Z 0.8955
327 JF8 0.8955
328 H5B 0.8955
329 W8G 0.8954
330 ZSP 0.8954
331 KYN 0.8954
332 WVV 0.8951
333 FF2 0.8951
334 CX6 0.8951
335 PLP 0.8951
336 AZC 0.8951
337 6FB 0.8950
338 I59 0.8949
339 X48 0.8948
340 PXP 0.8947
341 3AK 0.8947
342 S98 0.8946
343 FT6 0.8946
344 RSV 0.8944
345 1ER 0.8941
346 4FF 0.8939
347 WV7 0.8938
348 878 0.8937
349 BK9 0.8936
350 H7S 0.8935
351 ZRL 0.8933
352 CNI 0.8932
353 H75 0.8931
354 NBG 0.8931
355 QIV 0.8928
356 JRO 0.8927
357 GNJ 0.8925
358 ZRK 0.8925
359 1AJ 0.8924
360 OA1 0.8923
361 NAG 0.8922
362 MOK 0.8922
363 OSB 0.8922
364 WG8 0.8920
365 DK1 0.8920
366 BZQ 0.8920
367 8Y7 0.8919
368 QUB 0.8919
369 GI3 0.8918
370 5F1 0.8918
371 C09 0.8917
372 5XL 0.8917
373 4GU 0.8916
374 4R1 0.8916
375 5GV 0.8915
376 H35 0.8915
377 15N 0.8914
378 1EL 0.8913
379 CC6 0.8913
380 GMP 0.8913
381 N1E 0.8912
382 TBN 0.8911
383 APS 0.8908
384 8NX 0.8906
385 1A7 0.8906
386 2WU 0.8904
387 1YL 0.8904
388 5C1 0.8903
389 6DP 0.8901
390 3JC 0.8900
391 BB4 0.8900
392 5E4 0.8899
393 LR2 0.8898
394 P9I 0.8896
395 HRM 0.8896
396 AY4 0.8896
397 QR2 0.8896
398 CL9 0.8895
399 X0U 0.8894
400 4ME 0.8892
401 5NS 0.8891
402 272 0.8890
403 KWB 0.8890
404 UAY 0.8889
405 BP7 0.8888
406 C93 0.8888
407 JHY 0.8887
408 DUR 0.8887
409 4CN 0.8886
410 E1T 0.8885
411 8D6 0.8885
412 TXW 0.8884
413 NPL 0.8884
414 91F 0.8883
415 AP6 0.8880
416 6ZW 0.8879
417 AGI 0.8879
418 PMP 0.8878
419 2PV 0.8877
420 0JD 0.8876
421 B52 0.8876
422 7FU 0.8876
423 ZYR 0.8876
424 BG6 0.8875
425 ZIP 0.8875
426 FYR 0.8875
427 8XL 0.8873
428 FQX 0.8873
429 PUE 0.8873
430 5FD 0.8872
431 FC2 0.8871
432 GXD 0.8868
433 MBP 0.8867
434 DNC 0.8866
435 3VQ 0.8866
436 XCG 0.8865
437 9DI 0.8864
438 NLA 0.8864
439 ZEA 0.8863
440 B2E 0.8862
441 UXH 0.8862
442 9KZ 0.8862
443 XIF XYP 0.8860
444 XYP XIF 0.8860
445 LZ2 0.8860
446 7EH 0.8859
447 PH2 0.8857
448 CZ0 0.8857
449 PLP PMP 0.8857
450 MUR 0.8856
451 8RK 0.8856
452 HNT 0.8856
453 1VK 0.8856
454 BQ5 0.8855
455 B4O 0.8854
456 A63 0.8853
457 IOS 0.8852
458 4AU 0.8851
459 IAC 0.8848
460 CH9 0.8847
461 BZM 0.8846
462 3VW 0.8846
463 TLF 0.8846
464 5VJ 0.8846
465 NOS 0.8844
466 TIY 0.8843
467 SGW 0.8843
468 GEN 0.8843
469 LFQ 0.8843
470 HH6 0.8841
471 OAI 0.8840
472 DPT 0.8840
473 EAJ 0.8840
474 K68 0.8839
475 KMY 0.8839
476 O9Q 0.8839
477 EV3 0.8839
478 PRL 0.8838
479 I4D 0.8837
480 0GA 0.8837
481 3AD 0.8836
482 18E 0.8835
483 M02 0.8835
484 55D 0.8835
485 FER 0.8834
486 2FX 0.8834
487 M3F 0.8834
488 6J3 0.8834
489 WUB 0.8833
490 HA5 0.8832
491 TIA 0.8832
492 ETV 0.8832
493 K25 0.8832
494 D64 0.8832
495 6MW 0.8831
496 YEX 0.8830
497 GJK 0.8829
498 5N5 0.8829
499 RPP 0.8828
500 DX7 0.8828
501 EY7 0.8827
502 NTF 0.8827
503 JXW 0.8826
504 2J2 0.8826
505 L21 0.8825
506 CUE 0.8824
507 5VU 0.8824
508 2KU 0.8824
509 G14 0.8823
510 P0P 0.8823
511 1HP 0.8822
512 6BK 0.8822
513 4G2 0.8819
514 CG 0.8819
515 9ZE 0.8818
516 G1P 0.8818
517 582 0.8817
518 NQ7 0.8817
519 HHR 0.8816
520 HWH 0.8816
521 0J5 0.8813
522 2J1 0.8813
523 KMP 0.8812
524 N7I 0.8812
525 657 0.8811
526 A4D 0.8811
527 MFZ 0.8811
528 BZJ 0.8811
529 NIF 0.8810
530 1HN 0.8810
531 CPW 0.8807
532 8W9 0.8807
533 FMB 0.8807
534 1SF 0.8807
535 GJP 0.8806
536 6GP 0.8806
537 IMH 0.8805
538 OQC 0.8804
539 K44 0.8803
540 O2A 0.8803
541 78U 0.8801
542 KCH 0.8800
543 GNR 0.8799
544 G12 0.8799
545 DNF 0.8799
546 ZZA 0.8799
547 5VL 0.8799
548 L1T 0.8798
549 AQN 0.8798
550 LJ3 0.8795
551 AUG 0.8795
552 6KT 0.8794
553 FDR 0.8794
554 9JT 0.8794
555 692 0.8793
556 78P 0.8793
557 NIY 0.8793
558 08C 0.8792
559 FNA 0.8791
560 3UG 0.8791
561 3JM 0.8791
562 5WS 0.8791
563 5OO 0.8790
564 61M 0.8789
565 OLU 0.8789
566 N2M 0.8789
567 0J4 0.8789
568 ASE 0.8789
569 5WW 0.8788
570 2FA 0.8788
571 2UD 0.8787
572 ABJ 0.8786
573 4L2 0.8786
574 JF1 0.8786
575 5WM 0.8785
576 LIP 0.8785
577 SJK 0.8785
578 GNM 0.8784
579 KY3 0.8784
580 EES 0.8783
581 HMD 0.8782
582 GC2 0.8781
583 SER DNF 0.8780
584 DNF SER 0.8780
585 2LW 0.8780
586 27F 0.8779
587 4GP 0.8779
588 6SD 0.8779
589 3BH 0.8779
590 PJW 0.8779
591 SRO 0.8778
592 KLV 0.8778
593 GDL 0.8778
594 BY5 0.8778
595 L3L 0.8776
596 RFZ 0.8772
597 3TC 0.8772
598 T6Z 0.8771
599 JTF 0.8771
600 GB4 0.8769
601 MCY 0.8768
602 E6Q 0.8768
603 QNM 0.8768
604 7D7 0.8768
605 NWD 0.8768
606 4B0 0.8767
607 EGR 0.8767
608 XYP XYP 0.8766
609 5NB 0.8766
610 EQU 0.8766
611 AOX 0.8765
612 AJ1 0.8764
613 6VD 0.8763
614 AN3 0.8761
615 TSS 0.8760
616 NAL 0.8760
617 BDI 0.8760
618 FWD 0.8759
619 AKD 0.8759
620 XI7 0.8758
621 DBS 0.8757
622 6HO 0.8757
623 UFO 0.8756
624 K7H 0.8756
625 4FE 0.8755
626 4TU 0.8754
627 MPK 0.8754
628 2KA 0.8752
629 T28 0.8751
630 28A 0.8751
631 NQH 0.8749
632 3RP 0.8746
633 HJB 0.8745
634 RB2 0.8745
635 ALR 0.8745
636 JMG 0.8745
637 N0Z 0.8744
638 KTW 0.8744
639 W81 0.8744
640 IDD 0.8743
641 BZE 0.8742
642 53X 0.8742
643 1UZ 0.8741
644 F01 0.8741
645 SKF 0.8740
646 SNB 0.8740
647 NDG 0.8739
648 S0D 0.8739
649 GZ2 0.8739
650 X11 0.8738
651 1ZC 0.8737
652 EMO 0.8737
653 CSN 0.8735
654 3DT 0.8734
655 Q8G 0.8733
656 4RU 0.8733
657 NQ8 0.8731
658 SQ4 0.8731
659 O9Z 0.8731
660 3QI 0.8730
661 1FL 0.8729
662 HO4 0.8727
663 NAR 0.8727
664 GNY 0.8725
665 ZEZ 0.8724
666 GO8 0.8721
667 TMG 0.8720
668 NID 0.8718
669 4HB 0.8717
670 NPX 0.8715
671 WS7 0.8715
672 OA4 0.8714
673 TSR 0.8712
674 CCV 0.8711
675 27B 0.8709
676 SQP 0.8709
677 JSX 0.8708
678 VXX 0.8708
679 5E1 0.8707
680 0F9 0.8706
681 ID8 0.8705
682 O9T 0.8704
683 WOE 0.8703
684 FMC 0.8702
685 MS0 0.8702
686 D1Y 0.8702
687 2O6 0.8700
688 SYR 0.8700
689 2FQ 0.8699
690 THU 0.8699
691 SG2 0.8696
692 CWD 0.8696
693 DFV 0.8696
694 SQ7 0.8696
695 LTT 0.8695
696 3C3 0.8694
697 P1J 0.8694
698 56N 0.8693
699 LU2 0.8692
700 MTA 0.8691
701 A9B 0.8691
702 H70 0.8688
703 L46 0.8688
704 M6P 0.8687
705 ZON 0.8686
706 58N 0.8686
707 DHC 0.8684
708 61O 0.8684
709 MHR 0.8682
710 C0H 0.8681
711 WSD 0.8679
712 LDC 0.8679
713 2PK 0.8678
714 QUE 0.8678
715 3QV 0.8678
716 GF4 0.8678
717 E7R 0.8677
718 GVY 0.8676
719 LVY 0.8674
720 GL6 0.8674
721 2LX 0.8673
722 3CA 0.8672
723 WS6 0.8672
724 PVQ 0.8671
725 ZJB 0.8670
726 2D3 0.8670
727 MNS 0.8669
728 DDU 0.8665
729 BWD 0.8664
730 CFA 0.8662
731 Z73 0.8662
732 XYS XYP 0.8662
733 5GT 0.8660
734 AD3 0.8660
735 E9S 0.8658
736 FT2 0.8658
737 9FL 0.8658
738 IXM 0.8657
739 EST 0.8656
740 ONR 0.8656
741 GLP 0.8655
742 BUX 0.8655
743 RHN 0.8655
744 43U 0.8654
745 K82 0.8651
746 SXX 0.8650
747 ALE 0.8649
748 FTV 0.8648
749 TR4 0.8647
750 PNX 0.8644
751 JB8 0.8643
752 C53 0.8642
753 L22 0.8641
754 MUK 0.8640
755 TYP 0.8639
756 D9Z 0.8639
757 9FE 0.8639
758 LRW 0.8637
759 PTS 0.8636
760 MJW 0.8636
761 X6P 0.8636
762 AOJ 0.8635
763 JGB 0.8633
764 P93 0.8633
765 4F8 0.8633
766 P83 0.8633
767 CK2 0.8631
768 2GD 0.8631
769 6X9 0.8630
770 9XZ 0.8629
771 34L 0.8628
772 YO5 0.8625
773 IPD 0.8625
774 XM5 0.8624
775 A6P 0.8623
776 DAH 0.8623
777 XQK 0.8621
778 XYS XYS 0.8620
779 Q8D 0.8619
780 X8D 0.8617
781 0QV 0.8615
782 RD4 0.8611
783 67X 0.8611
784 TQ3 0.8610
785 8HH 0.8610
786 AV4 0.8609
787 MQB 0.8608
788 9R5 0.8607
789 M9N 0.8605
790 I6G 0.8604
791 GRX 0.8604
792 26C 0.8604
793 6BL 0.8602
794 N3W 0.8602
795 6FG 0.8602
796 IWD 0.8601
797 NFZ 0.8601
798 3VS 0.8600
799 4BY 0.8600
800 5OR 0.8597
801 S0E 0.8596
802 PRF 0.8596
803 INE 0.8595
804 MNP 0.8595
805 6C9 0.8594
806 NPA 0.8592
807 OW7 0.8591
808 3ZB 0.8591
809 3DE 0.8591
810 RDT 0.8589
811 549 0.8587
812 NBV 0.8587
813 Z16 0.8584
814 SU9 0.8583
815 K97 0.8581
816 EUE 0.8580
817 PDC 0.8578
818 UN9 0.8577
819 ESI 0.8577
820 CIY 0.8576
821 FSE 0.8573
822 MZM 0.8572
823 PJK 0.8569
824 B0K 0.8569
825 XDK 0.8567
826 2UZ 0.8564
827 465 0.8564
828 JAW 0.8563
829 0GZ 0.8562
830 44V 0.8561
831 A4V 0.8555
832 RH1 0.8554
833 JDN 0.8554
834 E3X 0.8551
835 0HO 0.8550
836 5E2 0.8549
837 3A9 0.8546
838 NU3 0.8546
839 43S 0.8544
840 BHF 0.8544
841 EI1 0.8543
842 428 0.8542
843 F95 0.8541
844 4NS 0.8541
845 D8Q 0.8539
846 R8Y 0.8539
847 AOY 0.8537
848 JAH 0.8530
849 6ME 0.8529
850 DQU 0.8529
851 6P3 0.8525
852 1F1 0.8524
853 UL1 0.8523
854 FZM 0.8520
855 6NT 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6H4R; Ligand: FQB; 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: 6h4r.bio4) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6H4R; Ligand: FQB; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 6h4r.bio2) has 60 residues
No: Leader PDB Ligand Sequence Similarity
1 4IGQ OGA 41.3889
2 6IP0 AKG 43.3333
Pocket No.: 3; Query (leader) PDB : 6H4R; Ligand: FQB; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 6h4r.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 6IP0 AKG 43.3333
Pocket No.: 4; Query (leader) PDB : 6H4R; Ligand: FQB; Similar sites found with APoc: 3
This union binding pocket(no: 4) in the query (biounit: 6h4r.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4IGQ OGA 41.3889
2 4IGQ THR M3L GLN 41.3889
3 6IP0 AKG 43.3333
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