Receptor
PDB id Resolution Class Description Source Keywords
5FWA 1.8 Å EC: 2.1.1.125 CRYSTAL STRUCTURE OF MUS MUSCULUS PROTEIN ARGININE METHYLTRA WITH CP1 MUS MUSCULUS TRANSFERASE S-ADENOSYL-L-METHIONINE
Ref.: STRUCTURAL STUDIES OF PROTEIN ARGININE METHYLTRANSF REVEAL ITS INTERACTIONS WITH POTENTIAL SUBSTRATES A INHIBITORS. FEBS J. V. 284 77 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1451;
A:1450;
A:1449;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
CL A:1448;
Invalid;
none;
submit data
35.453 Cl [Cl-]
CA A:1452;
A:1453;
Part of Protein;
Invalid;
none;
none;
submit data
40.078 Ca [Ca+2...
PG4 A:1447;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
J7C A:1446;
Valid;
none;
ic50 = 16.3 uM
322.323 C12 H18 N8 O3 [H]/N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5FWA 1.8 Å EC: 2.1.1.125 CRYSTAL STRUCTURE OF MUS MUSCULUS PROTEIN ARGININE METHYLTRA WITH CP1 MUS MUSCULUS TRANSFERASE S-ADENOSYL-L-METHIONINE
Ref.: STRUCTURAL STUDIES OF PROTEIN ARGININE METHYLTRANSF REVEAL ITS INTERACTIONS WITH POTENTIAL SUBSTRATES A INHIBITORS. FEBS J. V. 284 77 2017
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5FUL ic50 = 18.3 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5FWA ic50 = 16.3 uM J7C C12 H18 N8 O3 [H]/N=C(N)....
3 5FWD - GJV C13 H21 N8 O3 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 5FUL ic50 = 18.3 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5FWA ic50 = 16.3 uM J7C C12 H18 N8 O3 [H]/N=C(N)....
3 5FWD - GJV C13 H21 N8 O3 c1nc(c2c(n....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 5FUL ic50 = 18.3 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5FWA ic50 = 16.3 uM J7C C12 H18 N8 O3 [H]/N=C(N)....
3 5FWD - GJV C13 H21 N8 O3 c1nc(c2c(n....
4 4Y30 ic50 = 10 nM 49L C25 H38 N4 O3 CNCCN(C)Cc....
5 4Y2H ic50 = 0.011 uM 49K C13 H17 F N4 CN(CCN)Cc1....
6 5FUB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 5G02 - SFG C15 H23 N7 O5 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: J7C; Similar ligands found: 236
No: Ligand ECFP6 Tc MDL keys Tc
1 J7C 1 1
2 6RE 0.820895 0.985507
3 GJV 0.689189 0.971429
4 XYA 0.651515 0.842857
5 ADN 0.651515 0.842857
6 RAB 0.651515 0.842857
7 5N5 0.632353 0.869565
8 A4D 0.623188 0.842857
9 5CD 0.623188 0.828571
10 EP4 0.619718 0.797297
11 DTA 0.611111 0.783784
12 3DH 0.608108 0.794521
13 MTA 0.60274 0.794521
14 M2T 0.589041 0.753247
15 AMP 0.571429 0.789474
16 A 0.571429 0.789474
17 A3N 0.56962 0.833333
18 SRA 0.564103 0.75
19 DSH 0.556962 0.863014
20 AMP MG 0.556962 0.746835
21 MHZ 0.554217 0.777778
22 AU1 0.554217 0.75
23 ZAS 0.551282 0.835616
24 ABM 0.55 0.746835
25 A2D 0.55 0.746835
26 AOC 0.5375 0.794521
27 A3G 0.5375 0.873239
28 BA3 0.536585 0.746835
29 AP2 0.536585 0.7625
30 MAO 0.536585 0.756098
31 A12 0.536585 0.7625
32 CA0 0.535714 0.728395
33 ADX 0.535714 0.678161
34 B4P 0.53012 0.746835
35 5AS 0.53012 0.677778
36 ADP 0.53012 0.769231
37 AP5 0.53012 0.746835
38 SFG 0.529412 0.84507
39 5X8 0.529412 0.833333
40 5AD 0.528571 0.768116
41 S4M 0.52439 0.7875
42 A7D 0.52381 0.847222
43 AN2 0.52381 0.759494
44 SON 0.52381 0.7625
45 PRX 0.523256 0.75
46 ANP 0.522727 0.75
47 NEC 0.518519 0.791667
48 M33 0.517647 0.7375
49 ADP MG 0.517647 0.7375
50 SA8 0.517241 0.815789
51 0UM 0.516129 0.828947
52 ADP BEF 0.511628 0.719512
53 BEF ADP 0.511628 0.719512
54 50T 0.511628 0.759494
55 A3T 0.511628 0.819444
56 ACP 0.511628 0.772152
57 ATP 0.511628 0.769231
58 SAH 0.511364 0.835616
59 G5A 0.511364 0.715909
60 IOT 0.509434 0.829268
61 A3S 0.505882 0.859155
62 AR6 0.505747 0.746835
63 5FA 0.505747 0.769231
64 AQP 0.505747 0.769231
65 APC 0.505747 0.7625
66 APR 0.505747 0.746835
67 GAP 0.505618 0.772152
68 ADV 0.5 0.740741
69 AGS 0.5 0.731707
70 AAT 0.5 0.84
71 RBY 0.5 0.740741
72 SAP 0.5 0.731707
73 ADP PO3 0.5 0.766234
74 5AL 0.5 0.7375
75 AD9 0.5 0.75
76 A5D 0.5 0.783784
77 7D7 0.5 0.763889
78 Y3J 0.5 0.746479
79 JB6 0.494845 0.743902
80 AHX 0.494737 0.756098
81 MAP 0.494624 0.731707
82 ATF 0.494505 0.740741
83 A5A 0.494505 0.662921
84 ATP MG 0.494382 0.7375
85 SAI 0.494382 0.824324
86 SSA 0.48913 0.696629
87 SRP 0.48913 0.78481
88 ANP MG 0.48913 0.710843
89 SMM 0.48913 0.743902
90 S7M 0.48913 0.772152
91 SAM 0.488889 0.772152
92 ACQ 0.488889 0.772152
93 TAT 0.488889 0.740741
94 4AD 0.484211 0.753086
95 VMS 0.483871 0.648352
96 52H 0.483871 0.641304
97 54H 0.483871 0.648352
98 EEM 0.483516 0.772152
99 QQX 0.481481 0.691358
100 3AM 0.481481 0.776316
101 NVA LMS 0.479167 0.663043
102 DLL 0.479167 0.7375
103 53H 0.478723 0.641304
104 5CA 0.478723 0.696629
105 TSB 0.478723 0.655556
106 DAL AMP 0.478723 0.7375
107 ADP ALF 0.478261 0.710843
108 ALF ADP 0.478261 0.710843
109 SO8 0.477778 0.786667
110 2VA 0.477273 0.797297
111 YLB 0.476636 0.752941
112 YLP 0.47619 0.752941
113 XAH 0.475248 0.771084
114 K15 0.474227 0.78481
115 3UK 0.474227 0.728395
116 OOB 0.473684 0.7375
117 S8M 0.473684 0.802632
118 5SV 0.473684 0.714286
119 3AD 0.473684 0.855072
120 8QN 0.473684 0.7375
121 VO4 ADP 0.473118 0.7375
122 ADP VO4 0.473118 0.7375
123 LAD 0.469388 0.790123
124 KAA 0.469388 0.711111
125 LSS 0.46875 0.663043
126 NSS 0.46875 0.677778
127 PAJ 0.46875 0.705882
128 DSZ 0.46875 0.677778
129 AMO 0.46875 0.7625
130 A3P 0.465116 0.766234
131 3OD 0.464646 0.728395
132 SXZ 0.464646 0.772152
133 1ZZ 0.464646 0.689655
134 NB8 0.464646 0.73494
135 TXA 0.464646 0.719512
136 00A 0.463918 0.702381
137 62X 0.463918 0.765432
138 A22 0.463158 0.759494
139 YLC 0.462963 0.771084
140 VRT 0.461538 0.837838
141 KB1 0.46 0.805195
142 MYR AMP 0.46 0.689655
143 AYB 0.459459 0.744186
144 OAD 0.459184 0.728395
145 LEU LMS 0.459184 0.645161
146 GEK 0.458333 0.802632
147 25A 0.458333 0.769231
148 QQY 0.457831 0.7
149 ACK 0.457831 0.736842
150 KH3 0.457143 0.797468
151 7D5 0.45679 0.734177
152 9SN 0.455446 0.694118
153 P5A 0.454545 0.703297
154 WAQ 0.454545 0.743902
155 PR8 0.454545 0.780488
156 GSU 0.454545 0.696629
157 A1R 0.453608 0.7875
158 ADQ 0.453608 0.75
159 ARG AMP 0.45283 0.85
160 OVE 0.452381 0.7375
161 2AM 0.451219 0.766234
162 YLA 0.45045 0.752941
163 BIS 0.45 0.743902
164 FYA 0.45 0.782051
165 ME8 0.45 0.729412
166 PTJ 0.45 0.714286
167 D3Y 0.447917 0.835616
168 YSA 0.446602 0.677778
169 ADP BMA 0.444444 0.75
170 A6D 0.444444 0.719512
171 AMP DBH 0.442308 0.728395
172 4UV 0.442308 0.710843
173 SP1 0.440476 0.703704
174 RP1 0.440476 0.703704
175 A A 0.44 0.769231
176 CC5 0.44 0.84058
177 2A5 0.43956 0.772152
178 FA5 0.436893 0.7625
179 YAP 0.436893 0.753086
180 PPS 0.43617 0.678161
181 PAP 0.434783 0.75641
182 4UU 0.433962 0.710843
183 7MD 0.433962 0.771084
184 TYR AMP 0.432692 0.740741
185 YLY 0.432203 0.744186
186 2BA 0.431818 0.74026
187 A2P 0.431818 0.753247
188 CMP 0.431818 0.75
189 25L 0.431373 0.759494
190 NAI 0.431193 0.702381
191 4YB 0.429907 0.681319
192 LAQ 0.425926 0.689655
193 3NZ 0.425743 0.802632
194 ATP A A A 0.423077 0.75641
195 LPA AMP 0.422018 0.689655
196 AFH 0.420561 0.72619
197 7D3 0.420455 0.716049
198 NVA 2AD 0.419355 0.786667
199 4UW 0.418182 0.686047
200 NAX 0.418182 0.738095
201 3L1 0.417722 0.819444
202 MTP 0.417722 0.727273
203 3D1 0.417722 0.819444
204 ARX 0.417391 0.918919
205 TAD 0.416667 0.705882
206 LA8 ALF 3PG 0.414414 0.705882
207 ALF ADP 3PG 0.414414 0.705882
208 WSA 0.414414 0.685393
209 OMR 0.414414 0.681818
210 COD 0.413793 0.727273
211 AHZ 0.412844 0.689655
212 26A 0.4125 0.76
213 6MD 0.4125 0.805556
214 2FA 0.4125 0.810811
215 G3A 0.411215 0.777778
216 7C5 0.411215 0.84
217 7MC 0.410714 0.752941
218 V3L 0.410526 0.769231
219 N0B 0.409836 0.752941
220 48N 0.409091 0.756098
221 5F1 0.407407 0.777778
222 AR6 AR6 0.407407 0.746835
223 G5P 0.407407 0.777778
224 6V0 0.405405 0.714286
225 DND 0.405405 0.719512
226 NXX 0.405405 0.719512
227 TXD 0.405405 0.722892
228 ATR 0.404255 0.74359
229 GGZ 0.40404 0.636364
230 GTA 0.40367 0.75
231 7D4 0.402174 0.716049
232 A A A 0.401961 0.759494
233 TXE 0.401786 0.722892
234 649 0.401786 0.666667
235 TYM 0.401786 0.7625
236 AF3 ADP 3PG 0.401786 0.705882
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5FWA; Ligand: J7C; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5fwa.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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