Receptor
PDB id Resolution Class Description Source Keywords
5EOR 2.27 Å NON-ENZYME: IMMUNE STRUCTURE OF THE MURINE ANTIBODY FAB 8E3 BOUND TO THE VACCIN A27 PEPTIDE 101-110 MUS MUSCULUS ANTIBODY FAB VACCINIA VIRUS NEUTRALIZING LINEAR EPITOPEPROTEIN-IMMUNE SYSTEM COMPLEX
Ref.: LINEAR EPITOPES IN VACCINIA VIRUS A27 ARE TARGETS O PROTECTIVE ANTIBODIES INDUCED BY VACCINATION AGAINS SMALLPOX. J.VIROL. V. 90 4334 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA H:301;
Part of Protein;
none;
submit data
22.99 Na [Na+]
ASP VAL GLN THR GLY ARG ARG PRO TYR GLU A:102;
Valid;
Atoms found LESS than expected: % Diff = 0.093;
submit data
1105.22 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5EOR 2.27 Å NON-ENZYME: IMMUNE STRUCTURE OF THE MURINE ANTIBODY FAB 8E3 BOUND TO THE VACCIN A27 PEPTIDE 101-110 MUS MUSCULUS ANTIBODY FAB VACCINIA VIRUS NEUTRALIZING LINEAR EPITOPEPROTEIN-IMMUNE SYSTEM COMPLEX
Ref.: LINEAR EPITOPES IN VACCINIA VIRUS A27 ARE TARGETS O PROTECTIVE ANTIBODIES INDUCED BY VACCINATION AGAINS SMALLPOX. J.VIROL. V. 90 4334 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 5EOR - ASP VAL GLN THR GLY ARG ARG PRO TYR GLU n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 5EOR - ASP VAL GLN THR GLY ARG ARG PRO TYR GLU n/a n/a
2 3TV3 - MAN AML MAN MAN MAN MAN MAN MAN MAN n/a n/a
3 2YKL - NLD C17 H25 N3 O3 CCNC(=O)CC....
4 2YK1 Kd = 7.4 nM NCT C10 H14 N2 C[N@@]1CCC....
5 6LRA Kd = 0.41 uM VAL GLN ILE ILE ASN LYS n/a n/a
6 6BE4 - NAG NAG NAG NAG NAG n/a n/a
7 6BE3 - NAG C8 H15 N O6 CC(=O)N[C@....
50% Homology Family (253)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 3HNT - AXR BXY BXY BXX n/a n/a
2 3HNV - AXR BXY BXY BXX n/a n/a
3 3HNS - AXR BXY BXY BXY BXX BXX n/a n/a
4 6N16 - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
5 6MQR - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
6 3QG6 ic50 = 0.73 nM TYR SER THR CYS TYR PHE ILE MET n/a n/a
7 3IF1 - NGA C8 H15 N O6 CC(=O)N[C@....
8 3IET Kd = 0.14 uM GLY THR LYS PRO PRO LEU GLU GLU LEU A2G n/a n/a
9 3PHQ - KDO C8 H14 O8 C1[C@H]([C....
10 2HRP - MET SER LEU PRO GLY ARG TRP LYS PRO LYS n/a n/a
11 5NBW - 8SK C20 H12 O c1ccc2c(c1....
12 6MSY - MAN MAN MAN MAN n/a n/a
13 3OAU - MAN MAN n/a n/a
14 6N35 - MAN C6 H12 O6 C([C@@H]1[....
15 6MUB - BMA MAN MAN MAN MAN n/a n/a
16 6MU3 - BMA MAN MAN MAN n/a n/a
17 3OAZ - 2M5 C8 H16 O6 C[C@@H]([C....
18 4RBP - KDO MAN MAN MAN MAN MAN n/a n/a
19 3OAY - BDF C6 H12 O6 C1[C@H]([C....
20 4OJF - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
21 5D6C - 57S C13 H26 N O13 P CC(=O)N[C@....
22 6DWA - HD4 C13 H26 N O13 P CC(=O)N[C@....
23 2BMK Kd = 2.4 uM PDD C11 H17 N2 O7 P Cc1c(c(c(c....
24 1WC7 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
25 1WCB Kd = 26 nM PE1 C14 H24 N3 O7 P Cc1c(c(c(c....
26 1MJ7 Kd = 4.5 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
27 1MH5 Kd = 0.61 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
28 1MFA Kd = 9.1 uM MMA GLA ABE n/a n/a
29 3I9G Kd = 1.1 nM S1P C18 H38 N O5 P CCCCCCCCCC....
30 1F4X Kd = 2.6 uM MGS C12 H23 N O7 C[C@@H]1[C....
31 1AJ7 Kd = 135 uM NPE C11 H13 N O7 P c1cc(ccc1[....
32 1GAF Kd = 10 nM NPE C11 H13 N O7 P c1cc(ccc1[....
33 3CFD - SPB C19 H19 N O3 c1ccc(cc1)....
34 4JN2 - 4CC C25 H25 N7 O3 [H]/N=C(c1....
35 1U8M - GLU LEU ASP LYS TYR ALA SER n/a n/a
36 3IDG - ALA LEU ASP LYS TRP ASP n/a n/a
37 1TJG - GLU LEU ASP LYS TRP ALA SER n/a n/a
38 1U93 - GLU GLN ASP LYS TRP ALA SER n/a n/a
39 1U8H - ALA LEU ASP LYS TRP ALA SER n/a n/a
40 1U8Q - GLU LEU GLU LYS TRP ALA SER n/a n/a
41 3IDJ - GLU LEU ASP ORN TRP ALA SER n/a n/a
42 2F5B - GLU LEU ASP LYS TRP ALA SER n/a n/a
43 1U92 - GLU ALA ASP LYS TRP GLN SER n/a n/a
44 1U8I - GLU LEU ASP LYS TRP ALA ASN n/a n/a
45 1U95 - GLU LEU ASP HIS TRP ALA SER n/a n/a
46 1U8J - GLU LEU ASP LYS TRP ALA GLY n/a n/a
47 3IDI - ALA LEU ASP LYS TRP GLN ASN n/a n/a
48 3IDN - GLU LEU ASP HOX TRP ALA SER n/a n/a
49 1U91 - GLU ASN ASP LYS TRP ALA SER n/a n/a
50 3IDM - GLU LEU ASP NRG TRP ALA SER n/a n/a
51 1U8K - LEU GLU LEU ASP LYS TRP ALA SER LEU n/a n/a
52 2C1P - FNZ C18 H15 F N4 O c1cc(ccc1C....
53 2R2E - KDE C11 H18 O8 C=CCO[C@@]....
54 3SY0 - KDA KDO KDO n/a n/a
55 3OKL - KDA KDO n/a n/a
56 2R1Y Kd = 31 uM KDR KDO n/a n/a
57 2R2B - KDA KDO KDO n/a n/a
58 2G5B - PRO THR SER SER GLU GLN ILE n/a n/a
59 2R1X Kd = 16 uM KDA KDD n/a n/a
60 3OKK - KDA KDO n/a n/a
61 3OKE - KO2 C11 H18 O9 C=CCO[C@@]....
62 3OKN - KDA KDO KDO n/a n/a
63 3HZM Kd = 0.000000064 M KDO C8 H14 O8 C1[C@H]([C....
64 2R23 Kd = 190 uM KDA KO1 n/a n/a
65 1Q9W - GP1 GP4 KDO KDO KDO n/a n/a
66 3T65 - KDA KDO n/a n/a
67 2R1W Kd = 25 uM KDA KDB n/a n/a
68 3OKO - KDA KDO KDO n/a n/a
69 3HZV - KDA KDO KDO n/a n/a
70 3T4Y - KDO C8 H14 O8 C1[C@H]([C....
71 3OKD - KDO C8 H14 O8 C1[C@H]([C....
72 3T77 - KDA KDO n/a n/a
73 3HZY Kd = 0.000000064 M KDA KDO KDO n/a n/a
74 3HZK Kd = 0.3 M KDA KDO n/a n/a
75 2R2H - KO2 C11 H18 O9 C=CCO[C@@]....
76 3BPC Kd = 16 uM KDA KDB n/a n/a
77 4HGW Kd = 0.000000064 M KTU KDO n/a n/a
78 5XQW Kd = 1.6 nM 8EU C9 H12 N O5 P CCP(=O)(O)....
79 5TKJ - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
80 6CDP - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
81 6CDM - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
82 1Y0L Kd ~ 1 nM HAN C14 H19 N3 O2 Cc1cc2c(cc....
83 1E4W Kd = 25 nM SER HIS PHE ASN GLU TYR GLU n/a n/a
84 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
85 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
86 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
87 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
88 1F3D - TPM C12 H18 N3 c1cc(ccc1C....
89 2OK0 Kd = 0.2 nM DT DC n/a n/a
90 1MRF - DI C10 H13 N4 O7 P c1nc2c(n1[....
91 1MRD - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
92 1MRE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
93 6UG7 - BGC GAL GLA NGA GAL SIA n/a n/a
94 6UG8 - BGC GAL GLA NGA GAL SIA n/a n/a
95 5MY4 - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
96 3FO0 - BZH C12 H14 N4 O3 c1cc2c(cc1....
97 3FO2 - BZH C12 H14 N4 O3 c1cc2c(cc1....
98 3FO1 - BZH C12 H14 N4 O3 c1cc2c(cc1....
99 5DTF - 5CT C10 H23 N3 O3 C(CCNC[C@H....
100 5MYO - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
101 1QYG - BCG C16 H19 N O4 C[N@]1[C@H....
102 1RIV - OBE C16 H19 N O5 C[N@H+]1[C....
103 1Q72 Kd = 0.0000123 M COC C17 H21 N O4 C[N@]1[C@H....
104 1RIU - RBE C15 H17 N O4 c1ccc(cc1)....
105 6OBD - ASN ASP THR SER GLN THR SER SER PRO SER OPE n/a n/a
106 3FN0 Kd ~ 40 uM TRP ASN TRP PHE ASP ILE THR ASN LYS n/a n/a
107 1S3K Kd = 0.24 uM NDG FUC GAL FUC n/a n/a
108 3EYV - NDG FUC GAL FUC n/a n/a
109 5I8C - ALA VAL GLY ILE GLY ALA VAL PHE LEU n/a n/a
110 6UCE - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
111 6UCF - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
112 2AJX - TGN C16 H22 N O5 P C[N@]1[C@H....
113 2AJZ - ECG C10 H17 N O3 C[N@]1[C@H....
114 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
115 2AJV - COC C17 H21 N O4 C[N@]1[C@H....
116 2AJY - ECG C10 H17 N O3 C[N@]1[C@H....
117 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
118 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
119 6DZN - AE3 C6 H14 O3 CCOCCOCCO
120 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCO[C@@]....
121 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
122 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
123 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
124 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
125 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
126 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
127 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
128 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
129 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
130 4OCX Kd ~ 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
131 4S1D - 41M C16 H29 N5 O3 S C1[C@H]2[C....
132 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
133 5EOR - ASP VAL GLN THR GLY ARG ARG PRO TYR GLU n/a n/a
134 5JOP - NAG GAL BGC GAL n/a n/a
135 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
136 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
137 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
138 1JGU - HBC C20 H21 N O c1ccc(cc1)....
139 2DDQ - HRB C17 H27 N3 O5 CCCCC[C@@H....
140 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
141 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
142 6MQC - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
143 1JGL Kd = 2 nM EST C18 H24 O2 C[C@]12CC[....
144 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCC[C@H](....
145 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCO[C@....
146 2Z92 Kd = 0.8 nM ENE C22 H30 O8 C1C=CCO[C@....
147 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
148 5EOQ - LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU n/a n/a
149 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
150 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
151 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
152 6EV2 - BGC C6 H12 O6 C([C@@H]1[....
153 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
154 3TV3 - MAN AML MAN MAN MAN MAN MAN MAN MAN n/a n/a
155 3TWC - MAN AML MAN MAN MAN MAN MAN MAN MAN n/a n/a
156 6B3D - MAN MAN MAN MAN MAN MAN MAN n/a n/a
157 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
158 1EAP - HEP C15 H22 N O6 P CCCC[C@H](....
159 6C5J Kd = 68.5 nM GP1 Z9M KDO KDO KDO n/a n/a
160 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
161 6C5H Kd = 370 nM GP1 Z9M KDO KDO KDO n/a n/a
162 5T78 Kd = 43 nM NGA ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
163 5T6P Kd = 880 nM ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
164 4TUO - GLC GAL SIA NGA SIA n/a n/a
165 1DL7 Kd = 0.32 uM NCH C11 H18 N2 O6 P C[N+](C)(C....
166 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
167 1MFE - MAN GLA ABE n/a n/a
168 1MFB - RAM MAN GLA ABE RAM MAN GLA n/a n/a
169 1MFD Kd = 4.9 uM MMA GLA ABE n/a n/a
170 1MFC - RAM MAN GLA ABE n/a n/a
171 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
172 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
173 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
174 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
175 3C6S - RAM NAG RAM RAM RAM NAG RAM RAM RAM GLC GLC n/a n/a
176 6DWI - HD4 C13 H26 N O13 P CC(=O)N[C@....
177 6UBI - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
178 1M7D Ka = 1700000 M^-1 MAG RAE RAM n/a n/a
179 1M7I Ka = 250000 M^-1 RAO NAG RAM RAM RAM n/a n/a
180 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
181 5TKK - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
182 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
183 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
184 1OAU Kd = 20 nM DNF SER n/a n/a
185 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
186 1XF2 - DT DT DT n/a n/a
187 2OMN - IPH C6 H6 O c1ccc(cc1)....
188 2YKL - NLD C17 H25 N3 O3 CCNC(=O)CC....
189 2YK1 Kd = 7.4 nM NCT C10 H14 N2 C[N@@]1CCC....
190 6MQE - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
191 6DF1 - LEU PTR LEU n/a n/a
192 6DZR - FLC C6 H5 O7 C(C(=O)[O-....
193 5ALB - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
194 5ALC - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
195 1NGP - NPA C8 H7 N O5 c1cc(c(cc1....
196 4ODV - GP1 Z9M n/a n/a
197 1KEG - DT 64T DT DT n/a n/a
198 1EHL - 5HT DT n/a n/a
199 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)[C....
200 1CLY - NAG NON FUC GAL FUC n/a n/a
201 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
202 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
203 6DW2 - HD4 C13 H26 N O13 P CC(=O)N[C@....
204 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
205 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
206 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
207 5DYO - FLU C20 H12 O5 c1ccc(c(c1....
208 4UIN Kd = 24 nM QI9 C20 H24 N2 O2 COc1ccc2c(....
209 3V0W Kd = 32 nM KDO KDO GM0 GM0 GLC GMH GLC GLA GLC PA1 n/a n/a
210 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
211 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
212 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
213 1YNK - SC5 C18 H26 N4 O2 C[C@H](c1c....
214 1I7Z Kd = 0.4 uM COC C17 H21 N O4 C[N@]1[C@H....
215 2O5Z Kd = 110 mM ANO C19 H28 O2 C[C@]12CCC....
216 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
217 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
218 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
219 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
220 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
221 6LRA Kd = 0.41 uM VAL GLN ILE ILE ASN LYS n/a n/a
222 1IND Ka = 11000000000 M^-1 EOT C20 H28 N4 O9 S c1cc(ccc1C....
223 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
224 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
225 1UM5 - SS1 C8 H10 O C[C@@H](c1....
226 1UM4 - SH4 C17 H19 N O4 P C[C@@H](c1....
227 1VPO Kd = 0.000000064 M TES C19 H28 O2 C[C@]12CC[....
228 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
229 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
230 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
231 1Q0Y Kd ~ 1 nM MOI C17 H19 N O3 C[N@]1CC[C....
232 6CDO - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
233 6IDG Kd = 0.000000064 M 64T 5PY n/a n/a
234 4YHK ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
235 4YHM Kd = 173 pM 4CC C25 H25 N7 O3 [H]/N=C(c1....
236 4YHO Kd = 18 pM 4CC C25 H25 N7 O3 [H]/N=C(c1....
237 4YHI ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
238 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
239 1IGJ Kd = 0.1 nM DGX C41 H64 O14 C[C@@H]1[C....
240 1UZ8 Ka = 93000 M^-1 MAG FUC GAL n/a n/a
241 4ODT - GP1 Z9M n/a n/a
242 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
243 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
244 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
245 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
246 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
247 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
248 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
249 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
250 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
251 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
252 6BE4 - NAG NAG NAG NAG NAG n/a n/a
253 6BE3 - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASP VAL GLN THR GLY ARG ARG PRO TYR GLU; Similar ligands found: 168
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 1 1
2 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.567901 0.928571
3 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.554286 0.932432
4 SER SER TYR ARG ARG PRO VAL GLY ILE 0.55 0.944444
5 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.549383 0.847222
6 VAL PRO LEU ARG PRO MET THR TYR 0.546584 0.918919
7 ALA THR PRO PHE GLN GLU 0.544828 0.797101
8 ARG THR PHE SER PRO THR TYR GLY LEU 0.542683 0.931507
9 ARG LEU TYR GLN ASN PRO THR THR TYR ILE 0.51462 0.918919
10 LEU PRO PHE GLU ARG ALA THR VAL MET 0.508671 0.878378
11 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.505319 0.893333
12 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.497143 0.944444
13 LEU PRO PHE GLU LEU ARG GLY HIS LEU VAL 0.497143 0.835616
14 ASN ARG PRO VAL TYR ILE PRO ARG PRO PRO 0.496933 0.901408
15 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.496599 0.811594
16 LEU PRO PHE GLU ARG ALA THR ILE MET 0.494318 0.866667
17 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.493976 0.917808
18 ACE GLN GLU ARG GLU VAL PRO CYS 0.493333 0.816901
19 GLU GLY GLN PTR GLN PRO GLN PRO ALA 0.490798 0.773333
20 ILE GLY PRO GLY ARG ALA PHE TYR THR 0.488372 0.876712
21 ALA PHE ARG ILE PRO LEU THR ARG 0.484848 0.915493
22 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.484277 0.891892
23 ARG TYR PRO LEU THR PHE GLY TRP 0.483696 0.918919
24 ARG PRO MET THR TYR LYS GLY ALA LEU 0.483333 0.906667
25 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.480447 0.918919
26 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.477987 0.887324
27 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.477528 0.90411
28 ILE GLY PRO GLY ARG ALA PHE TYR THR ILE 0.477528 0.90411
29 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.477012 0.821918
30 THR PRO ARG VAL THR GLY GLY GLY ALA MET 0.47561 0.853333
31 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.475309 0.810811
32 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.474576 0.871795
33 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.472826 0.831169
34 GLN MET PRO THR GLU ASP GLU TYR 0.472727 0.824324
35 TYR PRO LYS ARG ILE ALA 0.47205 0.887324
36 LEU PRO PHE ASP ARG THR THR ILE MET 0.471264 0.88
37 ILE GLY PRO GLY ARG ALA PHE TYR VAL 0.471264 0.876712
38 ARG VAL SER PRO SER THR SER TYR THR PRO 0.466667 0.842857
39 PRO ARG GLY TYR PRO GLY GLN VAL 0.465839 0.842857
40 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.465517 0.847222
41 SER ASP TYR GLN ARG LEU 0.465278 0.757143
42 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.463415 0.810811
43 PHE ASN ARG PRO VAL 0.461039 0.871429
44 DPN PRO DAR DTH NH2 0.459459 0.869565
45 ACE TYR PRO ILE GLN GLU THR 0.459119 0.791667
46 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.456647 0.863014
47 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.45614 0.873239
48 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.454082 0.92
49 VAL MET ALA PRO ARG THR LEU PHE LEU 0.454023 0.853333
50 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.453488 0.808219
51 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.452941 0.916667
52 ALA VAL TYR ASP GLY ARG GLU HIS THR VAL 0.450867 0.861111
53 ASP PHE GLU GLU ILE PRO GLY GLU TYR LEU 0.448864 0.821918
54 GLY VAL TYR ASP GLY ARG GLU HIS THR VAL 0.448276 0.861111
55 GLU ALA ASP PRO THR GLY HIS SER TYR 0.446927 0.863014
56 ARG PHE PRO LEU THR PHE GLY TRP 0.445652 0.891892
57 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.444444 0.783784
58 ALA ARG THR GLU LEU TYR ARG SER LEU 0.44375 0.802817
59 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.443114 0.743243
60 GLU TYR LEU GLY LEU ASP VAL PRO VAL 0.443114 0.842857
61 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.442708 0.822785
62 THR PRO TYR ASP ILE ASN GLN MET LEU 0.442529 0.802632
63 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.442424 0.84507
64 GLY ASP CYS PHE SER LYS PRO ARG 0.44186 0.873239
65 ASP ILE ALA TYR TYR THR SER GLU PRO 0.440994 0.824324
66 ARG ARG ARG GLU ARG SER PRO THR ARG 0.440994 0.885714
67 ALA PRO ASP THR ARG PRO ALA PRO 0.43871 0.914286
68 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.43787 0.9
69 ARG PRO MET THR PHE LYS GLY ALA LEU 0.437838 0.866667
70 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.4375 0.84
71 GLY PHE ARG PRO 0.4375 0.811594
72 ARG GLY TYR VAL TYR GLN GLY LEU 0.4375 0.736111
73 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.436782 0.766234
74 LEU PHE GLY TYR PRO VAL TYR VAL 0.436364 0.805556
75 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.43617 0.797297
76 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.436047 0.861111
77 1IP CYS PHE SER LYS PRO ARG 0.436047 0.863014
78 MET CYS PRO ARG MET THR ALA VAL MET 0.435294 0.851351
79 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.435028 0.837838
80 SER ALA PRO ASP THR ARG PRO ALA 0.434783 0.901408
81 GLU PRO VAL GLU THR THR ASP TYR 0.434783 0.884058
82 ASP TYR ASN PRO TYR LEU LEU PHE LEU LYS 0.434524 0.849315
83 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.434524 0.760563
84 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.434286 0.835616
85 LYS ALA PRO ARG ALY GLN LEU ALA THR LYS 0.433526 0.875
86 SAC ARG GLY THR GLN THR GLU 0.433333 0.704225
87 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.432749 0.819444
88 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.432584 0.808219
89 ARG ARG GLU VAL HIS THR TYR TYR 0.431953 0.835616
90 ALA LEU MET PRO GLY GLN PHE PHE VAL 0.431953 0.697368
91 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.431138 0.802632
92 LEU GLU LYS ALA ARG GLY SER THR TYR 0.431034 0.830986
93 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.431034 0.861111
94 TYR LEU LYS GLU PRO VAL HIS GLY VAL 0.430939 0.821918
95 TYR LEU GLU PRO ALA PRO VAL THR ALA 0.430303 0.873239
96 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.430233 0.888889
97 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.43 0.906667
98 TYR LEU GLU PRO GLY PRO VAL THR ALA 0.429412 0.9
99 ILE PRO ALA TYR GLY VAL LEU THR ILE 0.429412 0.859155
100 ALA ARG THR MLY GLN THR ALA ARG TYR 0.428571 0.824324
101 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.427746 0.760563
102 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.427746 0.739726
103 GLN VAL PRO SER ASP PRO TYR ASN TYR 0.427711 0.887324
104 ASP GLN GLY ARG GLY ARG ARG ARG PRO 0.425806 0.826087
105 ALA ARG SER HIS SEP TYR PRO ALA 0.425414 0.835443
106 ARG GLY TYR LEU TYR GLN GLY LEU 0.424051 0.736111
107 LEU PRO GLU THR GLY 0.423611 0.8
108 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.423469 0.893333
109 LEU TYR LEU VAL CYS GLY GLU ARG GLY 0.422619 0.760563
110 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.422222 0.876712
111 TYR GLN PHE GLY PRO ASP PHE PRO ILE ALA 0.422222 0.821918
112 GLY GLY LYS LYS ARG TYR LYS LEU 0.422078 0.785714
113 GLY GLY LYS LYS LYS TYR ARG LEU 0.422078 0.785714
114 GLY GLY ARG LYS LYS TYR LYS LEU 0.422078 0.785714
115 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.421687 0.859155
116 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.421622 0.888889
117 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.421622 0.929577
118 DTY ILE ARG LEU LPD 0.421384 0.873239
119 DPN PRO DAR ILE NH2 0.421053 0.774648
120 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.421053 0.805556
121 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.421053 0.805556
122 LEU PRO SER PHE GLU THR ALA LEU 0.419162 0.830986
123 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.418367 0.841463
124 ACE ALA ARG THR GLU VAL TYR NH2 0.416667 0.797101
125 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.416185 0.780822
126 LEU PRO PHE GLU LYS SER THR VAL MET 0.41573 0.8
127 GLY LEU LEU GLY SER PRO VAL ARG ALA 0.414634 0.84507
128 SER SER ARG LYS GLU TYR TYR ALA 0.414474 0.746479
129 ILE THR ASP GLN VAL PRO PHE SER VAL 0.413793 0.819444
130 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.413408 0.876712
131 ALA MET ALA PRO ARG THR LEU LEU LEU 0.412121 0.826667
132 ASP ILE ASN TYR TYR THR SER GLU PRO 0.411765 0.813333
133 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.411458 0.864865
134 THR THR ALA PRO PHE LEU SER GLY LYS 0.411429 0.833333
135 GLY ARG PRO ARG THR THR ZXW PHE ALA GLU 0.409692 0.736264
136 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.409326 0.826667
137 GLU PRO GLY GLY SER ARG 0.409091 0.842857
138 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.40884 0.893333
139 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.408377 0.768293
140 ARG LYS LYS ARG TYR THR VAL VAL GLY ASN 0.408284 0.828571
141 ARG ARG LEU LEU ARG GLY HIS ASN GLN TYR 0.408046 0.835616
142 ARG LEU TYR HIS SEP LEU PRO ALA 0.407609 0.825
143 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.407407 0.828571
144 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.407407 0.805556
145 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.407216 0.797297
146 PRO SER TYR SEP PRO THR SEP PRO SER 0.407186 0.802632
147 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.407035 0.846154
148 LYS THR PHE PRO PRO THR GLU PRO LYS 0.406977 0.869565
149 DPN PRO ARG 0.406897 0.782609
150 GLU GLU ASN ASP PRO ASP TYR 0.406667 0.814286
151 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.406593 0.837838
152 SER SER GLY LYS VAL PRO LEU 0.406452 0.788732
153 VAL LYS VAL VAL ALA LYS LYS TYR ARG ASN 0.406452 0.8
154 GLN ASN GLY PTR VAL ASN PRO THR TYR 0.405882 0.807692
155 ARG ARG ILE TYR ASP LEU ILE GLU LEU 0.404762 0.774648
156 SER HIS PRO ARG PRO ILE ARG VAL 0.404624 0.864865
157 GLY MET PRO ARG GLY ALA 0.403846 0.733333
158 GLU THR VAL ARG PHE GLN SER ASP 0.403614 0.742857
159 ARG ARG ARG GLU THR GLN VAL 0.402778 0.73913
160 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.402299 0.859155
161 SER ARG ASP HIS SER ARG THR PRO MET 0.402174 0.844156
162 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.402116 0.864865
163 DPN PRO DAR CYS NH2 0.401316 0.771429
164 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.40113 0.782051
165 TRP GLU TYR ILE PRO ASN VAL 0.401099 0.789474
166 ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU 0.401099 0.701149
167 ARG VAL ALA SER PRO THR SER GLY VAL 0.4 0.9
168 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.4 0.875
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP VAL GLN THR GLY ARG ARG PRO TYR GLU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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