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Receptor
PDB id Resolution Class Description Source Keywords
5EE7 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE HUMAN GLUCAGON RECEPTOR (GCGR) IN C WITH THE ANTAGONIST MK-0893 HOMO SAPIENS, ENTEROBACTERIA PHAGE T4 GPCR SIGNALING PROTEIN 7TM
Ref.: EXTRA-HELICAL BINDING SITE OF A GLUCAGON RECEPTOR ANTAGONIST. NATURE V. 533 274 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLA A:1204;
A:1210;
A:1202;
A:1207;
A:1205;
A:1211;
A:1203;
A:1208;
A:1209;
A:1215;
A:1206;
A:1214;
A:1213;
A:1212;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
282.461 C18 H34 O2 CCCCC...
TLA A:1217;
Invalid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
5MV A:1201;
Valid;
none;
Kd = 0.97 nM
588.48 C32 H27 Cl2 N3 O4 C[C@@...
PE5 A:1216;
Invalid;
none;
submit data
398.489 C18 H38 O9 CCOCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EE7 2.5 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE HUMAN GLUCAGON RECEPTOR (GCGR) IN C WITH THE ANTAGONIST MK-0893 HOMO SAPIENS, ENTEROBACTERIA PHAGE T4 GPCR SIGNALING PROTEIN 7TM
Ref.: EXTRA-HELICAL BINDING SITE OF A GLUCAGON RECEPTOR ANTAGONIST. NATURE V. 533 274 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 5EE7 Kd = 0.97 nM 5MV C32 H27 Cl2 N3 O4 C[C@@H](c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5EE7 Kd = 0.97 nM 5MV C32 H27 Cl2 N3 O4 C[C@@H](c1....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 5EE7 Kd = 0.97 nM 5MV C32 H27 Cl2 N3 O4 C[C@@H](c1....
2 6FFI ic50 = 8 nM D8B C15 H13 N O Cc1cccc(n1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 5MV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5MV 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5EE7; Ligand: 5MV; Similar sites found with APoc: 224
This union binding pocket(no: 1) in the query (biounit: 5ee7.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2ZFZ ARG None
2 4LWU 20U None
3 3QKD HI0 1.10497
4 3AYI HCI 1.10619
5 3AYI FAD 1.10619
6 4C3Y ANB 1.10619
7 4C3Y FAD 1.10619
8 2BHW XAT 1.32743
9 2GMV UN8 1.32743
10 6FAA ADP 1.32743
11 1I9G SAM 1.42857
12 5NDF UDP 1.54867
13 5NDF LU2 1.54867
14 3WGT QSC 1.72911
15 3WGT FAD 1.72911
16 3WVS RRM 1.74564
17 3LAD FAD 1.76991
18 2CHG ANP 1.76991
19 5OKL PAM 1.76991
20 4I6G FAD 1.76991
21 5B25 4QJ 1.77515
22 3ZLR X0B 1.89873
23 3LN0 52B 1.99115
24 4ZUL UN1 1.99115
25 5B4B LP5 2.01613
26 2B8W ALF 5GP 2.13415
27 4OMJ 2TX 2.15827
28 3BZ3 YAM 2.17391
29 4B8V NDG NAG NAG NAG 2.19298
30 1P0H ACO 2.20126
31 1P0H COA 2.20126
32 1D2N ANP 2.20588
33 4ZBR NPS 2.21239
34 4ZBR DIF 2.21239
35 1YTM ATP 2.21239
36 3AB1 FAD 2.21239
37 1PMO PLR 2.21239
38 2XAU ADP 2.21239
39 4URL XAM 2.21675
40 6BR9 6OU 2.22841
41 5ECP ATP 2.24215
42 1FIQ MTE 2.28311
43 5E72 SAM 2.31214
44 6BQC LOP 2.34987
45 6CB2 OLC 2.38908
46 2OFW ADX 2.40385
47 4KCF AKM 2.43363
48 4YDQ HFG 2.43363
49 4YDQ ANP 2.43363
50 2R4J FAD 2.43363
51 2R4J 13P 2.43363
52 1IHU ADP 2.43363
53 1IHU AF3 2.43363
54 2Q4W FAD 2.43363
55 1N1G BCP 2.45902
56 5HGZ ACO 2.46914
57 1TV5 N8E 2.48307
58 4B5P ACO 2.5
59 2CNT COA 2.5
60 3SFI 3SF 2.54237
61 1DMH LIO 2.57235
62 3VVY ET 2.57732
63 5UR0 NAD 2.5788
64 4RW3 SHV 2.64901
65 5J6A P46 2.65487
66 1XKV ATP 2.65487
67 2ZPA ACO 2.65487
68 4Q9N NAI 2.68456
69 2BJ4 OHT 2.77778
70 3CIF NAD 2.78552
71 3CIF G3H 2.78552
72 2PEZ DAT 2.7933
73 2PEZ GGZ 2.7933
74 1M7G ADX 2.8436
75 1M7G AV2 2.8436
76 4IDN GNP 2.84464
77 3R9C ECL 2.87081
78 3G5N PB2 2.87611
79 2B4R NAD 2.87611
80 3UR0 SVR 2.87611
81 2B4R AES 2.87611
82 5HR5 ADP 2.87611
83 5THQ NDP 2.94118
84 3OKI OKI 3.00429
85 1YRB GDP 3.05344
86 3L9R L9Q 3.06122
87 3L9R L9R 3.06122
88 4OIV XX9 3.09735
89 1X6V ADP 3.09735
90 1OS1 ATP 3.09735
91 1OS1 PYR 3.09735
92 2QA8 GEN 3.10078
93 1CDO NAD 3.20856
94 2E2R 2OH 3.27869
95 5XJ7 87O 3.31858
96 1EE4 PRO ALA ALA LYS ARG VAL LYS LEU ASP 3.31858
97 6ADI 9UO 3.34129
98 4KM2 ATR 3.35196
99 4KM2 TOP 3.35196
100 4U0I 0LI 3.49206
101 2JJK R15 3.5503
102 2P4Y C03 3.61011
103 2VBQ BSJ 3.63636
104 3G9E RO7 3.69004
105 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 3.7037
106 2XN5 FUN 3.71429
107 3H9E NAD 3.75723
108 4KVX ACO 3.84615
109 2P1C GG3 3.84615
110 2VYN NAD 3.89222
111 1DSS NAD 3.9039
112 1RYI FAD 3.9267
113 1RYI GOA 3.9267
114 1GHE ACO 3.9548
115 6EKZ SNP 3.96341
116 4R57 ACO 3.97727
117 4LY9 1YY 3.9823
118 4LY9 S6P 3.9823
119 1J0X NAD 3.9823
120 4RC8 STE 4.05405
121 4ZB8 GDS 4.05405
122 2GJ8 ALF GDP 4.06977
123 4Z0H NAD 4.19162
124 4NE2 SH2 4.19162
125 4NE2 ADP 4.19162
126 3ETG GTP 4.20354
127 3TDC 0EU 4.20354
128 4QJK COA 4.25532
129 5D9J 0N8 4.27807
130 2EVL GAL SPH EIC 4.30622
131 1YUC EPH 4.31373
132 5J60 FAD 4.375
133 1CER NAD 4.53172
134 5IOR DUS 4.64602
135 5IOR FAD 4.64602
136 5IOR RBF 4.64602
137 5H5O PCG 4.65116
138 4XU6 TDA 4.7619
139 6C28 WCA 4.83871
140 1YYE 196 4.85075
141 3V1Y NAD 4.86726
142 2WOR 2AN 5
143 5WL1 D3D 5.05051
144 5WL1 CUY 5.05051
145 2I0G I0G 5.05837
146 2P8U COA 5.0885
147 3NKS FAD 5.0885
148 2XTN GTP 5.12821
149 5B0W 22B 5.15464
150 3W0O HY0 5.15759
151 3W0O ADP 5.15759
152 4H07 IPH 5.19481
153 3WLE NAD 5.27859
154 4WZA ADP 5.30973
155 4WZA ACP 5.30973
156 3AXB FAD 5.35714
157 3LLI FAD 5.36398
158 6DEF GCP 5.37084
159 1U3R 338 5.39419
160 2JFZ 003 5.4902
161 2JFZ DGL 5.4902
162 3LDW ZOL 5.53097
163 3LDW IPE 5.53097
164 4BQS K2Q 5.68182
165 4BQS ADP 5.68182
166 4XZ3 COA 5.81897
167 4IQY AR6 5.83333
168 2QE4 JJ3 6.04839
169 1K3T BRZ 6.12813
170 1H9G COA MYR 6.17284
171 5IF4 6AK 6.28931
172 6GD6 EVB 6.48148
173 5OCM NAP 6.52921
174 4X6F 3XU 6.63717
175 3IPQ 965 6.71378
176 3D78 NBB 6.72269
177 4MOP 2H5 6.85841
178 1WF3 GNP 6.97674
179 3GZ9 D32 7.0632
180 2YK7 CSF 7.07965
181 5NUE NAD 7.22892
182 5NUF NAD 7.22892
183 3FEI CTM 7.49064
184 4HBM 0Y7 7.5
185 2AG8 NAP 7.60456
186 5LXT 7AK 7.69231
187 5LXT GDP 7.69231
188 5XDT MB3 8.11688
189 1M48 FRG 8.27068
190 1JUV NDP 8.29016
191 3RMK BML 8.43373
192 6G5J EM8 8.48485
193 1DKF BMS 8.51064
194 4WT2 3UD 8.57143
195 1K7L 544 8.68056
196 2CDC NAP 8.74317
197 4DHY S41 8.95522
198 3KDU NKS 9.02527
199 2GJ5 VD3 9.25926
200 1RM4 NDP 9.29204
201 4ITU 1HS 9.29368
202 6CWH 6LA 9.34066
203 4OAS 2SW 9.375
204 4LPG 1MV 9.51327
205 4KBY C2E 10.1449
206 5FVJ ACO 10.241
207 5K7U SAM 10.3152
208 1KK8 BEF ADP 10.3896
209 2NU8 COA 10.7639
210 3L1N PLM 10.8247
211 3T6E UQ9 10.8527
212 2D5Z L35 10.9589
213 2VZZ SCA 11.4679
214 4QJL COA 12.3404
215 2PRG BRL 12.5
216 5CSD ACD 13.2075
217 5DXV NAP 13.4615
218 6GAR FAD 13.467
219 4MNS 2AX 14.4654
220 1HTW ADP 17.0886
221 2DYS PGV 23.2143
222 2DYR PGV 23.2143
223 5ZCO PGV 23.2143
224 5ZCO TGL 23.2143
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