Receptor
PDB id Resolution Class Description Source Keywords
3RS3 1.52 Å EC: 3.6.5.2 H-RAS SOAKED IN NEAT HEXANE: 1 OF 10 IN MSCS SET HOMO SAPIENS GTP-BINDING NUCLEOTIDE BINDING SIGNALING PROTEIN
Ref.: ANALYSIS OF BINDING SITE HOT SPOTS ON THE SURFACE O GTPASE. J.MOL.BIOL. V. 413 773 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:193;
A:195;
A:196;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GNP A:190;
Valid;
none;
submit data
522.196 C10 H17 N6 O13 P3 c1nc2...
HEX A:201;
A:202;
Invalid;
Invalid;
none;
none;
submit data
86.175 C6 H14 CCCCC...
MG A:192;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CLU 1.7 Å EC: 3.6.5.2 H-RAS COMPLEXED WITH DIAMINOBENZOPHENONE-BETA,GAMMA-IMIDO-GT HOMO SAPIENS GTP HYDROLASE SIGNAL TRANSDUCTION CANCER G-DOMAIN HYDROL
Ref.: GUANOSINE TRIPHOSPHATASE STIMULATION OF ONCOGENIC R MUTANTS. PROC.NATL.ACAD.SCI.USA V. 96 7065 1999
Members (152)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3RS3 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 2CL6 - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
3 5WDO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 3TGP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
5 1P2T - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
6 4Q01 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 4M21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 6ARK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 821P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 1Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
11 5VPZ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
12 6F76 - CVK C24 H26 N2 O3 CN(C)Cc1cc....
13 6Q21 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
14 4L9W - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
15 4WA7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 3V4F - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
17 3K9N - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
18 5OCO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
19 4M1T - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 4XVQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
21 5V71 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
22 5VP7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
23 2QUZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
24 1CLU Kd = 5.4 nM DBG C23 H27 N8 O13 P3 c1ccc(cc1)....
25 4L8G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
26 5VBM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
27 2RGD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
28 4PZY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
29 4LPK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
30 4DLV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
31 4LRW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
32 2CLD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
33 4M1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
34 3L8Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
35 3LBH - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
36 721P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
37 1LF5 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
38 1GNR - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
39 4LUC - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
40 2RGE - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
41 4DLS - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
42 4M22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
43 4DLY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
44 1ZW6 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
45 2RGC - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
46 5VQ1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
47 5V9L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
48 2CL0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
49 4TQA - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50 3RRZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
51 5VPY - 9GM C10 H17 N6 O13 P3 c1nc2c(n1[....
52 2EVW - XY2 C12 H15 N5 O4 CC(=O)N(C)....
53 2RGB - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
54 4LDJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
55 1XJ0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
56 1ZVQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
57 5VQ6 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
58 1P2S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
59 5V6V - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
60 621P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
61 1P2V - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
62 2CL7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
63 3OIW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
64 4LV6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
65 4DLT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
66 1P2U - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
67 5V6S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
68 5UK9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
69 6ASE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70 3RS0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
71 5B30 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
72 5B2Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
73 3KKN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
74 4M1O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
75 5VQ0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
76 4M1Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
77 5VPI - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
78 5W22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
79 3I3S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
80 4OBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
81 3RRY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
82 1QRA - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
83 6BP1 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
84 4LYJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
85 121P - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
86 1RVD - DBG C23 H27 N8 O13 P3 c1ccc(cc1)....
87 5VBZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
88 2RGA - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
89 3RS7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
90 5UHV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
91 2CLC - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
92 4EPT - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
93 4EPY Kd = 340 uM 0QY C21 H21 N5 O c1ccc2c(c1....
94 4DLZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
95 1AGP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
96 1GNQ - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
97 2Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
98 3RS2 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
99 5VQ8 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
100 4L9S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
101 6B0Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
102 4M1S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
103 4EPV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
104 5WDP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
105 4TQ9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
106 3K8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
107 3OIV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
108 5OCT - 9R5 C9 H10 Cl N O2 c1cc2c(cc1....
109 5VBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
110 4Q02 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
111 3LBI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
112 3RSL - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
113 1LF0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
114 1XCM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
115 421P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
116 4DLR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
117 2CE2 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
118 4QL3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
119 4Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
120 4DLU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
121 1CTQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
122 3OIU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
123 6B0V - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
124 3RS5 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
125 4EPW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
126 5WDQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
127 1IOZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
128 221P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
129 4LYH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
130 4DLX - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
131 4Q03 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
132 4PZZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
133 3KKM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
134 1JAI - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
135 3L8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
136 3RS4 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
137 3LBN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
138 4NMM - Y9Z C14 H22 N6 O12 P2 CC(=O)NCCO....
139 5VQ2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
140 3RSO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
141 4XVR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
142 5P21 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
143 5F2E - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
144 4EPX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
145 4EPR - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
146 4DLW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
147 5WHD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
148 5V9O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
149 5V9U - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
150 2RGG - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
151 4LYF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
152 1JAH - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
70% Homology Family (173)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3RS3 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 2CL6 - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
3 5WDO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 3TGP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
5 1P2T - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
6 4Q01 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 4M21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 6ARK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 821P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 1Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
11 5VPZ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
12 6F76 - CVK C24 H26 N2 O3 CN(C)Cc1cc....
13 6Q21 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
14 4L9W - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
15 4WA7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 3V4F - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
17 3K9N - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
18 5OCO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
19 4M1T - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 4XVQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
21 5V71 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
22 5VP7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
23 2QUZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
24 1CLU Kd = 5.4 nM DBG C23 H27 N8 O13 P3 c1ccc(cc1)....
25 4L8G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
26 5VBM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
27 2RGD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
28 4PZY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
29 4LPK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
30 4DLV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
31 4LRW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
32 2CLD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
33 4M1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
34 3L8Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
35 3LBH - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
36 721P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
37 1LF5 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
38 1GNR - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
39 4LUC - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
40 2RGE - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
41 4DLS - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
42 4M22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
43 4DLY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
44 1ZW6 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
45 2RGC - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
46 5VQ1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
47 5V9L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
48 2CL0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
49 4TQA - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50 3RRZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
51 5VPY - 9GM C10 H17 N6 O13 P3 c1nc2c(n1[....
52 2EVW - XY2 C12 H15 N5 O4 CC(=O)N(C)....
53 2RGB - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
54 4LDJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
55 1XJ0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
56 1ZVQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
57 5VQ6 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
58 1P2S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
59 5V6V - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
60 621P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
61 1P2V - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
62 2CL7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
63 3OIW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
64 4LV6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
65 4DLT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
66 1P2U - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
67 5V6S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
68 5UK9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
69 6ASE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
70 3RS0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
71 5B30 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
72 5B2Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
73 3KKN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
74 4M1O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
75 5VQ0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
76 4M1Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
77 5VPI - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
78 5W22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
79 3I3S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
80 4OBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
81 3RRY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
82 1QRA - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
83 6BP1 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
84 4LYJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
85 121P - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
86 1RVD - DBG C23 H27 N8 O13 P3 c1ccc(cc1)....
87 5VBZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
88 2RGA - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
89 3RS7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
90 5UHV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
91 2CLC - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
92 4EPT - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
93 4EPY Kd = 340 uM 0QY C21 H21 N5 O c1ccc2c(c1....
94 4DLZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
95 1AGP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
96 1GNQ - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
97 2Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
98 3RS2 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
99 5VQ8 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
100 4L9S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
101 6B0Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
102 4M1S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
103 4EPV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
104 5WDP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
105 4TQ9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
106 3K8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
107 3OIV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
108 5OCT - 9R5 C9 H10 Cl N O2 c1cc2c(cc1....
109 5VBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
110 4Q02 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
111 3LBI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
112 3RSL - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
113 1LF0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
114 1XCM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
115 421P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
116 4DLR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
117 2CE2 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
118 4QL3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
119 4Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
120 4DLU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
121 1CTQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
122 3OIU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
123 6B0V - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
124 3RS5 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
125 4EPW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
126 5WDQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
127 1IOZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
128 221P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
129 4LYH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
130 4DLX - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
131 4Q03 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
132 4PZZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
133 3KKM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
134 1JAI - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
135 3L8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
136 3RS4 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
137 3LBN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
138 4NMM - Y9Z C14 H22 N6 O12 P2 CC(=O)NCCO....
139 5VQ2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
140 3RSO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
141 4XVR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
142 5P21 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
143 5F2E - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
144 4EPX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
145 4EPR - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
146 4DLW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
147 5WHD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
148 5V9O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
149 5V9U - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
150 2RGG - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
151 4LYF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
152 1JAH - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
153 5US4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
154 5UQW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
155 5USJ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
156 4DSU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
157 4DST - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
158 4DSO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
159 4DSN - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
160 5OCG - 9R5 C9 H10 Cl N O2 c1cc2c(cc1....
161 1KAO - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
162 3RAP - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
163 1X1R - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
164 1X1S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
165 3X1Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
166 3X1Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
167 3X1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
168 3X1X - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
169 1U8Z - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
170 1U90 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
171 1U8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
172 5WDR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
173 5WDS - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3RS3 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 2CL6 - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GNP; Similar ligands found: 132
No: Ligand ECFP6 Tc MDL keys Tc
1 GNP 1 1
2 9GM 1 1
3 GDP 0.839506 0.973684
4 GP3 0.82716 0.948718
5 GTP 0.809524 0.973684
6 GNH 0.807229 0.986842
7 G1R 0.77907 0.961039
8 GCP 0.77907 0.948718
9 GSP 0.770115 0.925
10 5GP 0.756098 0.960526
11 G 0.756098 0.960526
12 G2R 0.747253 0.936709
13 GMV 0.747126 0.948718
14 GAV 0.714286 0.936709
15 GP2 0.712644 0.936709
16 G2P 0.711111 0.936709
17 Y9Z 0.708333 0.880952
18 GDC 0.690722 0.936709
19 GDD 0.690722 0.936709
20 GKE 0.690722 0.936709
21 G5P 0.686869 0.948718
22 GPG 0.684211 0.936709
23 GTG 0.683673 0.91358
24 GDR 0.683673 0.936709
25 GFB 0.683673 0.936709
26 JB2 0.68 0.936709
27 GKD 0.68 0.936709
28 6CK 0.676768 0.91358
29 G3A 0.676768 0.948718
30 GDX 0.673267 0.948718
31 ALF 5GP 0.67033 0.86747
32 YGP 0.663265 0.879518
33 GPD 0.656863 0.902439
34 ALF GDP 0.645833 0.86747
35 GDP AF3 0.645833 0.86747
36 GDP ALF 0.645833 0.86747
37 JB3 0.641509 0.925
38 DBG 0.640351 0.974359
39 G3D 0.638298 0.960526
40 G4P 0.625 0.960526
41 GMP 0.621951 0.857143
42 NGD 0.62037 0.936709
43 GGM 0.618182 0.925926
44 0O2 0.616162 0.960526
45 2MD 0.603604 0.870588
46 CAG 0.60177 0.904762
47 U2G 0.590909 0.91358
48 FEG 0.590909 0.858824
49 GDP 7MG 0.590476 0.888889
50 MGD 0.587719 0.870588
51 G G 0.586538 0.924051
52 ZGP 0.585586 0.848837
53 CG2 0.580357 0.91358
54 ANP 0.568421 0.922078
55 PGD 0.567797 0.902439
56 MD1 0.567797 0.870588
57 3GP 0.56044 0.922078
58 TPG 0.558333 0.822222
59 GH3 0.55 0.948052
60 FE9 0.546219 0.778947
61 GPX 0.539216 0.922078
62 G4M 0.539062 0.860465
63 DGI 0.536082 0.9
64 BGO 0.535088 0.901235
65 IDP 0.53125 0.947368
66 DGT 0.53 0.9
67 2GP 0.526882 0.935065
68 G1R G1R 0.520325 0.901235
69 GCP G 0.518868 0.897436
70 A G 0.516949 0.911392
71 U A G G 0.512605 0.911392
72 G A A A 0.504202 0.9
73 AGO 0.504202 0.91358
74 P2G 0.5 0.860759
75 G1G 0.5 0.902439
76 R7I 0.49505 0.922078
77 MGP 0.49505 0.936709
78 R5I 0.49505 0.922078
79 PGD O 0.492063 0.831461
80 6G0 0.490196 0.936709
81 P1G 0.489796 0.85
82 AKW 0.483051 0.869048
83 DG 0.474227 0.8875
84 DGP 0.474227 0.8875
85 G U 0.466667 0.878049
86 IMP 0.463918 0.934211
87 G2Q 0.462963 0.936709
88 GPC 0.459677 0.858824
89 G C 0.459016 0.878049
90 GTA 0.448276 0.91358
91 G7M 0.444444 0.924051
92 MAP 0.439252 0.898734
93 G G G RPC 0.435484 0.853659
94 B4P 0.434343 0.871795
95 AP5 0.434343 0.871795
96 ADP 0.434343 0.896104
97 A2D 0.43299 0.871795
98 AT4 0.43 0.8625
99 G G G C 0.426357 0.890244
100 AU1 0.425743 0.922078
101 SGP 0.425743 0.807229
102 BA3 0.424242 0.871795
103 A G C C 0.423077 0.888889
104 35G 0.423077 0.909091
105 PCG 0.423077 0.909091
106 C2E 0.423077 0.897436
107 APC G U 0.421875 0.864198
108 HEJ 0.421569 0.896104
109 ATP 0.421569 0.896104
110 ACQ 0.419048 0.873418
111 5GP 5GP 0.419048 0.860759
112 5FA 0.417476 0.896104
113 AQP 0.417476 0.896104
114 01G 0.417391 0.880952
115 AN2 0.415842 0.909091
116 UNP 0.415842 0.810127
117 6AD 0.415094 0.821429
118 M33 0.411765 0.860759
119 ITT 0.411765 0.846154
120 G C C C 0.410448 0.901235
121 HFD 0.409524 0.851852
122 G U34 0.408 0.86747
123 ACP 0.407767 0.873418
124 6YZ 0.407407 0.873418
125 AR6 0.403846 0.871795
126 APR 0.403846 0.871795
127 DG DG 0.403509 0.845238
128 A4P 0.403226 0.848837
129 UCG 0.402985 0.888889
130 SAP 0.4 0.851852
131 AGS 0.4 0.851852
132 AD9 0.4 0.873418
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CLU; Ligand: DBG; Similar sites found with APoc: 61
This union binding pocket(no: 1) in the query (biounit: 1clu.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
1 2X77 GDP None
2 3N5C GDP None
3 4LC1 GDP 4.81928
4 5KUT GDP 6.0241
5 4RD0 GDP 6.0241
6 3WYA GDP 6.45161
7 3WY9 GDP 6.45161
8 2HCJ GDP 6.62651
9 3U6B GDP 6.62651
10 2BVN GNP 6.62651
11 1D8T GDP 6.62651
12 5JBQ GDP 6.62651
13 3U6K GDP 6.62651
14 4LPS GDP 6.62651
15 5W7Q GDP 7.22892
16 5W76 GDP 7.22892
17 5W75 GDP 7.22892
18 6G14 G4P 7.22892
19 3CNL GNP 7.83133
20 4P3Y GDP 8.43373
21 4J0Q GDP 9.63855
22 3MD0 GDP 10.241
23 1SKQ GDP 10.241
24 2WIC GNP 11.4458
25 1KK1 GNP 12.0482
26 5CK5 GDP 18.6747
27 2FH5 GTP 23.494
28 5H7K GDP 27.7108
29 1YRB GDP 29.5181
30 5YT0 GDP 31.9277
31 5FG3 GDP 31.9277
32 1ZD9 GDP 32.5301
33 1RE0 GDP 32.9268
34 4DCT GDP 33.1325
35 3AQ4 GDP 33.1325
36 2QN6 GDP 33.3333
37 1YZG GDP 33.7349
38 1ZJ6 G3D 34.3373
39 5M04 GDP 39.759
40 1FZQ GDP 40.3614
41 2WJG GDP 40.3614
42 3A1S GDP 44.5783
43 3GJ4 GDP 48.1928
44 3GJ7 GDP 48.1928
45 3GJ5 GDP 48.1928
46 3GJX GTP 48.1928
47 3REF GDP 48.1928
48 3GJ0 GDP 48.7952
49 3GJ3 GDP 48.7952
50 5BXQ GDP 48.7952
51 3CH5 GDP 48.7952
52 1Z0J GTP 48.7952
53 5DI9 GNP 48.7952
54 5DHF GNP 48.7952
55 5UWR GNP 48.7952
56 5UWW GNP 48.7952
57 5UWJ GNP 48.7952
58 1IBR GNP 48.7952
59 5UWI GNP 48.7952
60 5UWH GNP 48.7952
61 5OEC GDP 49.3976
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