Receptor
PDB id Resolution Class Description Source Keywords
3ZYC 2.2 Å EC: 3.6.5.5 DYNAMIN 1 GTPASE GED FUSION DIMER COMPLEXED WITH GMPPCP HOMO SAPIENS HYDROLASE MEMBRANE FISSION NUCLEOTIDE-BINDING ENDOCYTOSISPROTEIN
Ref.: A PSEUDOATOMIC MODEL OF THE DYNAMIN POLYMER IDENTIF HYDROLYSIS-DEPENDENT POWERSTROKE. CELL(CAMBRIDGE,MASS.) V. 147 209 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GCP A:1749;
D:1749;
Valid;
Valid;
none;
none;
submit data
521.208 C11 H18 N5 O13 P3 c1nc2...
MG A:1750;
D:1750;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2X2E 2 Å EC: 3.6.5.5 DYNAMIN GTPASE DIMER, LONG AXIS FORM HOMO SAPIENS NITRATION HYDROLASE MEMBRANE FISSION NUCLEOTIDE-BINDING ENDOCYTOSIS MOTOR PROTEIN
Ref.: G DOMAIN DIMERIZATION CONTROLS DYNAMIN'S ASSEMBLY-STIMULATED GTPASE ACTIVITY. NATURE V. 465 435 2010
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2X2F - GDP ALF n/a n/a
2 5D3Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 3ZYC - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
4 2X2E - GDP ALF n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2X2F - GDP ALF n/a n/a
2 5D3Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 3ZYC - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
4 2X2E - GDP ALF n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3T34 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 2X2F - GDP ALF n/a n/a
3 5D3Q - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 3ZYC - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
5 2X2E - GDP ALF n/a n/a
6 4P4T - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 4H1V - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
8 4H1U - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GCP; Similar ligands found: 136
No: Ligand ECFP6 Tc MDL keys Tc
1 GCP 1 1
2 GP3 0.8375 0.948718
3 GDP 0.82716 0.973684
4 GNH 0.817073 0.961039
5 GP2 0.804878 0.987013
6 GTP 0.797619 0.973684
7 G1R 0.788235 0.961039
8 GSP 0.77907 0.925
9 GNP 0.77907 0.948718
10 5GP 0.765432 0.960526
11 G 0.765432 0.960526
12 G2P 0.758621 0.987013
13 GMV 0.755814 0.948718
14 G2R 0.736264 0.961538
15 Y9Z 0.715789 0.903614
16 GDP MG 0.704545 0.9
17 GAV 0.703297 0.936709
18 G3A 0.701031 0.948718
19 GDC 0.697917 0.936709
20 GDD 0.697917 0.936709
21 GKE 0.697917 0.936709
22 GDP BEF 0.696629 0.878049
23 ALF 5GP 0.696629 0.86747
24 G5P 0.693878 0.948718
25 GPG 0.691489 0.936709
26 GDR 0.690722 0.936709
27 GTG 0.690722 0.91358
28 GFB 0.690722 0.936709
29 GDP AF3 0.688172 0.86747
30 YGP 0.6875 0.879518
31 GCP G 0.684783 0.935897
32 6CK 0.683673 0.91358
33 GTP MG 0.673913 0.9
34 BEF GDP 0.673913 0.86747
35 GKD 0.67 0.936709
36 JB2 0.67 0.936709
37 GDX 0.663366 0.948718
38 GPD 0.663366 0.925926
39 GDP ALF 0.652632 0.86747
40 JB3 0.632075 0.925
41 GMP 0.62963 0.857143
42 NGD 0.626168 0.936709
43 G G 0.616162 0.911392
44 G3D 0.610526 0.960526
45 2MD 0.609091 0.870588
46 G4P 0.597938 0.960526
47 U2G 0.59633 0.91358
48 FEG 0.59633 0.880952
49 GDP 7MG 0.596154 0.888889
50 CAG 0.59292 0.860465
51 MGD 0.59292 0.870588
52 ZGP 0.590909 0.870588
53 0O2 0.59 0.960526
54 CG2 0.585586 0.91358
55 PGD 0.57265 0.902439
56 MD1 0.57265 0.892857
57 3GP 0.566667 0.922078
58 TPG 0.563025 0.842697
59 DBG 0.563025 0.925
60 FE9 0.550847 0.760417
61 ACP 0.548387 0.922078
62 GH3 0.54 0.973684
63 I2C FE2 CMO CMO 0.533898 0.791209
64 2GP 0.532609 0.935065
65 G4M 0.53125 0.860465
66 U A G G 0.529915 0.911392
67 GPX 0.529412 0.922078
68 DGI 0.525773 0.924051
69 G A A A 0.521368 0.9
70 IDP 0.520833 0.947368
71 DGT 0.52 0.924051
72 P1G 0.510417 0.873418
73 G1G 0.504132 0.902439
74 BGO 0.5 0.901235
75 G1R G1R 0.5 0.901235
76 PGD O 0.496 0.831461
77 ACQ 0.494949 0.922078
78 G G U 0.491071 0.911392
79 P2G 0.489583 0.860759
80 GGM 0.487395 0.879518
81 MGP 0.485149 0.936709
82 6G0 0.480392 0.936709
83 DG 0.479167 0.911392
84 DGP 0.479167 0.911392
85 GPC 0.47541 0.858824
86 G C 0.475 0.878049
87 4TC 0.470085 0.876543
88 IMP 0.46875 0.934211
89 GTA 0.464912 0.91358
90 G2Q 0.453704 0.961538
91 A2D 0.452632 0.871795
92 G G G C 0.452381 0.890244
93 G7M 0.44898 0.924051
94 APC G U 0.448 0.8875
95 U G A 0.445255 0.86747
96 SGP 0.444444 0.807229
97 BA3 0.443299 0.871795
98 G G G RPC 0.439024 0.853659
99 B4P 0.438776 0.871795
100 ADP 0.438776 0.896104
101 AP5 0.438776 0.871795
102 A G C C 0.4375 0.888889
103 ANP 0.436893 0.873418
104 G C C C 0.435115 0.901235
105 AN2 0.434343 0.884615
106 M33 0.43 0.860759
107 A12 0.428571 0.910256
108 AP2 0.428571 0.910256
109 A G U 0.427536 0.86747
110 PCG 0.427184 0.909091
111 35G 0.427184 0.909091
112 C2E 0.427184 0.897436
113 ATP 0.425743 0.896104
114 5GP 5GP 0.423077 0.860759
115 G U34 0.422764 0.86747
116 APR 0.421569 0.871795
117 AQP 0.421569 0.896104
118 AR6 0.421569 0.871795
119 5FA 0.421569 0.896104
120 SAP 0.417476 0.851852
121 AGS 0.417476 0.851852
122 AD9 0.417476 0.873418
123 UP5 0.416667 0.851852
124 CA0 0.415842 0.873418
125 ATF 0.415094 0.8625
126 A1R 0.409091 0.841463
127 01G 0.408696 0.880952
128 APC 0.407767 0.910256
129 DG DG 0.40708 0.86747
130 A4P 0.406504 0.848837
131 UCG 0.406015 0.888889
132 7DD 0.405941 0.883117
133 93A 0.405941 0.813953
134 6AD 0.40566 0.821429
135 ADX 0.401961 0.790698
136 AGO 0.401575 0.86747
Similar Binding Sites (Proteins are less than 50% similar to leader)
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