Receptor
PDB id Resolution Class Description Source Keywords
1A2B 2.4 Å EC: 3.-.-.- HUMAN RHOA COMPLEXED WITH GTP ANALOGUE HOMO SAPIENS SMALL G-PROTEIN SIGNAL TRANSDUCTION GTPASE RAS SUPERFAMILY ONCOGENE PROTEIN
Ref.: CRYSTAL STRUCTURE OF HUMAN RHOA IN A DOMINANTLY ACTIVE FORM COMPLEXED WITH A GTP ANALOGUE. J.BIOL.CHEM. V. 273 9656 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GSP A:538;
Valid;
none;
submit data
539.246 C10 H16 N5 O13 P3 S c1nc2...
MG A:550;
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
1KMQ 1.55 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF A CONSTITUTIVELY ACTIVATED RHOA MUTANT (Q63L) HOMO SAPIENS GTPASE CONSTITUTIVE MUTANT GTP-ANALOG SIGNALING PROTEIN
Ref.: STRUCTURE OF A CONSTITUTIVELY ACTIVATED RHOA MUTANT (Q63L) AT 1.55 A RESOLUTION. ACTA CRYSTALLOGR.,SECT.D V. 59 876 2003
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 283 families.
1 1KMQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
2 1DPF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 1FTN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
4 5A0F - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
5 1A2B - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 2W2T - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 2P2L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 2W2V - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 1MH1 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
5 2GCP - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
6 2GCN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 1M7B - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 3TH5 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
9 3SBD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 2QRZ - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
11 1A4R Kd = 9.4 pM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 1A2B - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
13 4U5X - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
14 1RYH - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
15 1RYF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
16 1GWN - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
50% Homology Family (311)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 157 families.
1 1Z2A - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 1Z22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 1YZT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
4 1YZU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
5 1Z08 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
6 1Z0I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 4DKX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 5WDO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
9 3TGP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
10 1P2T - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
11 4Q01 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
12 4M21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
13 6ARK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
14 6P8Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
15 821P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
16 1Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
17 5VPZ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
18 6MBQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
19 4DSU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
20 6F76 - CVK C24 H26 N2 O3 CN(C)Cc1cc....
21 6Q21 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
22 4L9W - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
23 6E6G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
24 4WA7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
25 3V4F - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
26 3K9N - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
27 5OCO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
28 4M1T - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
29 6P8X - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
30 4XVQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
31 5V71 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
32 5VP7 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
33 2QUZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
34 1CLU Kd = 5.4 nM DBG C23 H27 N8 O13 P3 c1ccc(cc1)....
35 6GJ7 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
36 4L8G - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
37 5VBM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
38 2RGD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
39 4PZY - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
40 4LPK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
41 4DLV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
42 4LRW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
43 2CLD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
44 6E6C - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
45 4M1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
46 3L8Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
47 3LBH - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
48 6PGP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
49 721P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
50 1LF5 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
51 1GNR - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
52 4LUC - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
53 2RGE - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
54 4DLS - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
55 4DST - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
56 4M22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
57 4DLY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
58 6M9W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
59 1ZW6 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
60 2RGC - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
61 5VQ1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
62 5V9L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
63 2CL0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
64 4TQA - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
65 6GOF - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
66 6GOM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
67 3RRZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
68 5VPY - 9GM C10 H17 N6 O13 P3 c1nc2c(n1[....
69 4DSO - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
70 2EVW - XY2 C12 H15 N5 O4 CC(=O)N(C)....
71 2RGB - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
72 4LDJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
73 1XJ0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
74 6E6P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
75 1ZVQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
76 5VQ6 - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
77 6DZH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
78 1P2S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
79 5V6V - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
80 621P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
81 1P2V - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
82 2CL7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
83 3OIW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
84 4LV6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
85 6P8Z - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
86 4DLT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
87 1P2U - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
88 6QUW - JJQ C14 H20 N2 C[C@@]12CC....
89 5V6S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
90 5UK9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
91 6ASE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
92 3RS0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
93 6PGO - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
94 5B30 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
95 5B2Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
96 3KKN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
97 4M1O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
98 6P8W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
99 5VQ0 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
100 4M1Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
101 5VPI - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
102 5W22 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
103 6GJ6 Kd = 20.4 uM EZZ C19 H19 N3 O2 CN(C)Cc1c(....
104 6MQN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
105 3I3S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
106 4OBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
107 3RRY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
108 1QRA - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
109 6QUX Kd = 1 mM JJN C22 H25 N3 O CC1(CCN(CC....
110 6GJ8 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
111 6BP1 - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
112 4LYJ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
113 121P - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
114 6GJ5 Kd = 440 uM F0N C20 H19 N3 O c1ccc2c(c1....
115 1RVD - DBG C23 H27 N8 O13 P3 c1ccc(cc1)....
116 5VBZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
117 2RGA - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
118 3RS7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
119 5UHV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
120 2CLC - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
121 4EPT - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
122 4EPY Kd = 340 uM 0QY C21 H21 N5 O c1ccc2c(c1....
123 4DLZ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
124 1AGP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
125 1GNQ - CAG C18 H23 N6 O16 P3 C[C@H](c1c....
126 2Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
127 3RS2 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
128 5VQ8 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
129 6MBT - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
130 4L9S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
131 6B0Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
132 6GQT - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
133 4M1S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
134 4EPV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
135 5WDP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
136 6QUU - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
137 6GOE - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
138 4TQ9 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
139 3K8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
140 3OIV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
141 5OCT - 9R5 C9 H10 Cl N O2 c1cc2c(cc1....
142 5VBE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
143 4Q02 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
144 3LBI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
145 3RSL - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
146 4DSN - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
147 6GOG - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
148 1LF0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
149 1XCM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
150 421P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
151 4DLR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
152 2CE2 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
153 4QL3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
154 4Q21 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
155 4DLU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
156 1CTQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
157 5OCG - 9R5 C9 H10 Cl N O2 c1cc2c(cc1....
158 3OIU - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
159 6QUV Kd = 1 mM JJN C22 H25 N3 O CC1(CCN(CC....
160 6B0V - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
161 3RS5 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
162 6OIM - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
163 4EPW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
164 5WDQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
165 1IOZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
166 221P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
167 4LYH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
168 4DLX - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
169 4Q03 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
170 4PZZ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
171 3KKM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
172 1JAI - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
173 3L8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
174 3RS4 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
175 3LBN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
176 4NMM - Y9Z C14 H22 N6 O12 P2 CC(=O)NCCO....
177 5VQ2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
178 3RSO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
179 4XVR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
180 5P21 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
181 5F2E - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
182 4EPX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
183 6MQG - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
184 4EPR - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
185 6P0Z - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
186 4DLW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
187 5WHD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
188 6CU6 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
189 5V9O - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
190 5V9U - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
191 2RGG - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
192 6E6H - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
193 4LYF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
194 6MBU - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
195 1JAH - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
196 2Y8E - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
197 2A5J - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
198 4LHW - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
199 4LHV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
200 2P2L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
201 2W2V - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
202 1MH1 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
203 2WKP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
204 2WKR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
205 2WKQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
206 1YU9 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
207 2BME - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
208 2BMD - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
209 1YZN - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
210 3RWM - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
211 3RWO - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
212 3REG - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
213 2F9L - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
214 2F9M - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
215 1YZK - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
216 1OIV - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
217 2FE4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
218 2FFQ - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
219 2E9S - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
220 5US4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
221 5UQW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
222 5USJ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
223 3NKV - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
224 1HUQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
225 1Z07 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
226 1N6R - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
227 1Z0D - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
228 1N6H - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
229 1N6P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
230 1N6K - GDP AF3 n/a n/a
231 1N6N - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
232 1N6I - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
233 1R2Q - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
234 1N6L - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
235 1N6O - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
236 1TU4 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
237 6HXU - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
238 1EK0 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
239 1S8F - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
240 1YZL - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
241 1WMS - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
242 1D5C - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
243 1Z0F - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
244 3E5H - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
245 1KAO - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
246 3RAP - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
247 1YZQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
248 2GIL - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
249 6HH2 Kd = 2.7 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
250 1Z0A - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
251 1KY2 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
252 1KY3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
253 2HT6 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
254 3KKO - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
255 3KKQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
256 3KKP - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
257 1X1R - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
258 1X1S - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
259 1T91 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
260 1VG8 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
261 2GCP - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
262 2GCN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
263 3X1Z - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
264 3X1Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
265 3X1W - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
266 3X1X - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
267 4Z8Y - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
268 1G17 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
269 1G16 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
270 1M7B - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
271 2DPX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
272 3Q7Q - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
273 3Q7P - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
274 3Q72 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
275 1U8Z - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
276 1U90 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
277 1U8Y - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
278 1YVD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
279 5WDR - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
280 5WDS - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
281 1Z06 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
282 3TH5 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
283 3SBD - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
284 1OIX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
285 1OIW - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
286 2QRZ - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
287 1A4R Kd = 9.4 pM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
288 1KMQ - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
289 1DPF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
290 1FTN - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
291 5A0F - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
292 1A2B - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
293 4U5X - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
294 6FF8 Kd = 1.2 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
295 3Q85 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
296 1RYH - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
297 1RYF - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
298 1VG1 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
299 5XC5 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
300 5XC3 - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
301 3RAB - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
302 6HDU Kd = 1.2 uM GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
303 1GWN - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
304 2EW1 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
305 4O25 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
306 4O2R - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
307 4O2L - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
308 6BSX - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
309 5YXH - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
310 1XTQ - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
311 3SEA - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GSP; Similar ligands found: 144
No: Ligand ECFP6 Tc MDL keys Tc
1 GSP 1 1
2 GP3 0.897436 0.925
3 GTP 0.853659 0.948718
4 GNH 0.829268 0.936709
5 GDP 0.817073 0.948718
6 G1R 0.8 0.936709
7 GCP 0.77907 0.925
8 9GM 0.770115 0.925
9 GNP 0.770115 0.925
10 GMV 0.767442 0.925
11 5GP 0.756098 0.935897
12 G 0.756098 0.935897
13 G2R 0.747253 0.91358
14 GDD 0.744681 0.91358
15 GKE 0.744681 0.91358
16 GDC 0.744681 0.91358
17 GPG 0.73913 0.91358
18 GTG 0.736842 0.891566
19 G3A 0.729167 0.925
20 G5P 0.721649 0.925
21 GFB 0.71875 0.91358
22 GDR 0.71875 0.91358
23 GAV 0.714286 0.987179
24 GP2 0.712644 0.91358
25 6CK 0.71134 0.891566
26 Y9Z 0.708333 0.860465
27 JB2 0.69697 0.91358
28 GKD 0.69697 0.91358
29 G2P 0.692308 0.91358
30 GDX 0.69 0.925
31 GPD 0.69 0.880952
32 ALF 5GP 0.67033 0.847059
33 0O2 0.666667 0.935897
34 YGP 0.663265 0.858824
35 JB3 0.657143 0.902439
36 GDP ALF 0.645833 0.847059
37 ALF GDP 0.645833 0.847059
38 GDP AF3 0.645833 0.847059
39 GMP 0.641975 0.835443
40 G3D 0.638298 0.935897
41 NGD 0.635514 0.91358
42 2MD 0.633027 0.894118
43 CAG 0.630631 0.840909
44 G4P 0.625 0.935897
45 FEG 0.62037 0.83908
46 U2G 0.62037 0.891566
47 G G 0.617647 0.901235
48 MGD 0.616071 0.894118
49 ZGP 0.614679 0.872093
50 CG2 0.609091 0.891566
51 TPG 0.598291 0.804348
52 KB7 0.595745 0.788235
53 3GP 0.595506 0.898734
54 GDP 7MG 0.590476 0.86747
55 GH3 0.581633 0.924051
56 MD1 0.581197 0.894118
57 PGD 0.581197 0.926829
58 2GP 0.577778 0.911392
59 GCP G 0.563107 0.875
60 DGT 0.561224 0.878049
61 DBG 0.558333 0.902439
62 KBD 0.553398 0.788235
63 G1G 0.550847 0.880952
64 AGS 0.547368 0.924051
65 SAP 0.547368 0.924051
66 FE9 0.546219 0.8
67 A G 0.543103 0.888889
68 G4M 0.539062 0.840909
69 U A G G 0.538462 0.888889
70 KBJ 0.53271 0.761364
71 G A A A 0.529915 0.878049
72 MGP 0.525253 0.91358
73 GPX 0.524272 0.898734
74 BGO 0.521739 0.879518
75 DGI 0.520408 0.878049
76 6G0 0.52 0.91358
77 IDP 0.515464 0.923077
78 R7I 0.51 0.898734
79 R5I 0.51 0.898734
80 GGM 0.508475 0.858824
81 G1R G1R 0.508065 0.879518
82 PGD O 0.504 0.875
83 AKW 0.495726 0.915663
84 G U 0.491525 0.857143
85 GTA 0.486726 0.891566
86 P2G 0.484536 0.839506
87 GPC 0.483607 0.83908
88 G C 0.483333 0.857143
89 P1G 0.474747 0.829268
90 DGP 0.474227 0.865854
91 DG 0.474227 0.865854
92 BA3 0.46875 0.85
93 AP5 0.463918 0.85
94 IMP 0.463918 0.910256
95 B4P 0.463918 0.85
96 G2Q 0.462963 0.91358
97 G G G RPC 0.459016 0.833333
98 APC G U 0.456 0.843373
99 HEJ 0.45 0.873418
100 ATP 0.45 0.873418
101 G G G C 0.448819 0.869048
102 A2D 0.447917 0.85
103 AQP 0.445545 0.873418
104 5FA 0.445545 0.873418
105 A G C C 0.445312 0.86747
106 G7M 0.444444 0.901235
107 G U34 0.442623 0.847059
108 01G 0.442478 0.860465
109 SGP 0.44 0.876543
110 ITT 0.44 0.825
111 HFD 0.436893 0.831325
112 JSQ 0.436893 0.831325
113 G C C C 0.431818 0.879518
114 AN2 0.43 0.8625
115 AT4 0.43 0.911392
116 DG DG 0.428571 0.825581
117 A4P 0.42623 0.829545
118 UCG 0.424242 0.86747
119 PCG 0.423077 0.886076
120 C2E 0.423077 0.875
121 35G 0.423077 0.886076
122 MGO 0.420561 0.823529
123 ADP 0.42 0.873418
124 ANP 0.419048 0.851852
125 5GP 5GP 0.419048 0.839506
126 ADQ 0.418182 0.829268
127 APR 0.417476 0.85
128 7DT 0.417476 0.860759
129 AR6 0.417476 0.85
130 PRT 0.417391 0.910256
131 HQG 0.416667 0.8625
132 C1Z 0.415929 0.935897
133 A G U 0.414286 0.847059
134 AD9 0.413462 0.851852
135 UP5 0.413223 0.831325
136 A22 0.412844 0.8625
137 25L 0.412281 0.8625
138 M33 0.411765 0.839506
139 JBT 0.410405 0.783505
140 ACP 0.407767 0.851852
141 6YZ 0.407407 0.851852
142 ACQ 0.40566 0.851852
143 A1R 0.405405 0.8
144 A G U U 0.4 0.847059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KMQ; Ligand: GNP; Similar sites found with APoc: 106
This union binding pocket(no: 1) in the query (biounit: 1kmq.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5W75 GDP 3.26087
2 2HCJ GDP 3.80435
3 2BVN GNP 3.80435
4 2BVN GNP 3.80435
5 2FH5 GTP 4.34783
6 2FH5 GTP 4.34783
7 2FH5 GTP 4.34783
8 2C77 GNP 4.8913
9 2C78 GNP 4.8913
10 1YRB GDP 4.96183
11 4NON GDP 5.43478
12 4M9Q GNP 5.43478
13 4M9Q GNP 5.43478
14 4M9Q GNP 5.43478
15 3U6B GDP 7.6087
16 3U6B GDP 7.6087
17 4P3Y GDP 7.69231
18 2QN6 GDP 8.15217
19 4DCT GDP 8.15217
20 3WY9 GDP 11.413
21 3WY9 GDP 11.413
22 5YT0 GDP 14.6739
23 5FG3 GDP 14.6739
24 2XTZ GSP 16.3043
25 1MKY GDP 17.9348
26 4J0Q GDP 17.9348
27 4J0Q GDP 17.9348
28 4J0Q GDP 17.9348
29 5EE5 GTP 23.3918
30 4KAX GTP 23.6686
31 2W83 GTP 24.2424
32 2W83 GTP 24.2424
33 4NCN GTP 25
34 4NCN GTP 25
35 4TMZ GSP 25
36 4TMZ GSP 25
37 1FQJ ALF 26.087
38 1UPT GTP 26.6667
39 1UPT GTP 26.6667
40 1UPT GTP 26.6667
41 1KSH GDP 27.7174
42 2RCN GDP 28.2609
43 5DI3 GNP 30.9783
44 3M1I GTP 35.3261
45 3WYF GTP 35.3261
46 3WYF GTP 35.3261
47 3WYG GTP 35.7143
48 3GJ4 GDP 36.413
49 3GJ7 GDP 36.413
50 3GJ5 GDP 36.413
51 3GJ8 GDP 36.413
52 3GJ5 GDP 36.413
53 1J2J GTP 36.747
54 2J59 GTP 36.747
55 2J59 GTP 36.747
56 2J59 GTP 36.747
57 2J59 GTP 36.747
58 2J59 GTP 36.747
59 5UWQ GNP 36.9565
60 5DIF GNP 36.9565
61 5UWI GNP 36.9565
62 5UWJ GNP 36.9565
63 5UWW GNP 36.9565
64 5UWO GNP 36.9565
65 5UWU GNP 36.9565
66 5UWR GNP 36.9565
67 5UWT GNP 36.9565
68 5DHF GNP 36.9565
69 6CIT GNP 36.9565
70 5UWH GNP 36.9565
71 5UWP GNP 36.9565
72 4HAT GNP 36.9565
73 5DI9 GNP 36.9565
74 5UWS GNP 36.9565
75 3GJ3 GDP 36.9565
76 2X77 GDP 37.037
77 3GJX GTP 37.5
78 3GJX GTP 37.5
79 4B47 GDP 38.0435
80 3PQC GDP 39.6739
81 2CJW GDP 41.3043
82 2CJW GDP 41.3043
83 4GOJ GNP 41.8478
84 4ZI2 GNP 41.8478
85 4GOJ GNP 41.8478
86 4ZI2 GNP 41.8478
87 3BC1 GNP 42.3913
88 3BC1 GNP 42.3913
89 3TKL GTP 45.6522
90 5SZH GNP 45.6522
91 1VG9 GDP 45.6522
92 1VG9 GDP 45.6522
93 5O74 GDP 46.1111
94 4LX0 BEF GDP 46.3277
95 1Z0K GTP 46.5116
96 1Z0K GTP 46.5116
97 5TB5 GDP 47.8261
98 5Z2M GTP 48.2955
99 1UAD GNP 48.5714
100 1UAD GNP 48.5714
101 3MJH GTP 48.8095
102 3MJH GTP 48.8095
103 6IYB GTP 48.913
104 6IYB GTP 48.913
105 1ZC3 GNP 49.1429
106 1ZC3 GNP 49.1429
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