Receptor
PDB id Resolution Class Description Source Keywords
3V4U 1.64 Å NON-ENZYME: IMMUNE STRUCTURE OF A MONOCLONAL ANTIBODY COMPLEXED WITH ITS MHC-I MUS MUSCULUS IG-FOLD 3-10 HELIX IMMUNE SYSTEM
Ref.: THE PEPTIDE-RECEPTIVE TRANSITION STATE OF MHC CLASS MOLECULES: INSIGHT FROM STRUCTURE AND MOLECULAR DYN J.IMMUNOL. V. 189 1391 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLU PRO GLN ALA PRO TRP MET GLU GLN P:46;
Valid;
none;
submit data
1113.22 n/a S(CCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UO1 1.64 Å NON-ENZYME: IMMUNE STRUCTURE OF A MONOCLONAL ANTIBODY COMPLEXED WITH ITS MHC-I MUS MUSCULUS IG-FOLD 310-HELIX IMMUNE SYSTEM
Ref.: THE PEPTIDE-RECEPTIVE TRANSITION STATE OF MHC CLASS MOLECULES: INSIGHT FROM STRUCTURE AND MOLECULAR DYN J.IMMUNOL. V. 189 1391 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
2 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
3 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
4 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
70% Homology Family (189)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 3HNV - AXR BXY BXY BXX n/a n/a
2 3HNS - AXR BXY BXY BXY BXX BXX n/a n/a
3 3IF1 - NGA C8 H15 N O6 CC(=O)N[C@....
4 3IET Kd = 0.14 uM GLY THR LYS PRO PRO LEU GLU GLU LEU A2G n/a n/a
5 2HRP - MET SER LEU PRO GLY ARG TRP LYS PRO LYS n/a n/a
6 5NBW - 8SK C20 H12 O c1ccc2c(c1....
7 4OJF - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
8 5D6C - 57S C13 H26 N O13 P CC(=O)N[C@....
9 1WC7 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
10 1WCB Kd = 26 nM PE1 C14 H24 N3 O7 P Cc1c(c(c(c....
11 3I9G Kd = 1.1 nM S1P C18 H38 N O5 P CCCCCCCCCC....
12 1AJ7 Kd = 135 uM NPE C11 H13 N O7 P c1cc(ccc1[....
13 1GAF Kd = 10 nM NPE C11 H13 N O7 P c1cc(ccc1[....
14 4JN2 - C24 C27 H29 N7 O3 CCOC(=O)CC....
15 1U8M - GLU LEU ASP LYS TYR ALA SER n/a n/a
16 3IDG - ALA LEU ASP LYS TRP ASP n/a n/a
17 1TJG - GLU LEU ASP LYS TRP ALA SER n/a n/a
18 1U93 - GLU GLN ASP LYS TRP ALA SER n/a n/a
19 1U8H - ALA LEU ASP LYS TRP ALA SER n/a n/a
20 1U8Q - GLU LEU GLU LYS TRP ALA SER n/a n/a
21 3IDJ - GLU LEU ASP ORN TRP ALA SER n/a n/a
22 2F5B - GLU LEU ASP LYS TRP ALA SER n/a n/a
23 1U92 - GLU ALA ASP LYS TRP GLN SER n/a n/a
24 1U8I - GLU LEU ASP LYS TRP ALA ASN n/a n/a
25 1U95 - GLU LEU ASP HIS TRP ALA SER n/a n/a
26 1U8J - GLU LEU ASP LYS TRP ALA GLY n/a n/a
27 3IDI - ALA LEU ASP LYS TRP GLN ASN n/a n/a
28 3IDN - GLU LEU ASP HOX TRP ALA SER n/a n/a
29 1U91 - GLU ASN ASP LYS TRP ALA SER n/a n/a
30 3IDM - GLU LEU ASP NRG TRP ALA SER n/a n/a
31 1U8K - LEU GLU LEU ASP LYS TRP ALA SER LEU n/a n/a
32 2C1P - FNZ C18 H15 F N4 O c1cc(ccc1C....
33 2R2E - KDE C11 H18 O8 C=CCO[C@@]....
34 3SY0 - KDA KDO KDO n/a n/a
35 3OKL - KDA KDO n/a n/a
36 2R1Y Kd = 31 uM KDR KDO n/a n/a
37 2R2B - KDA KDO KDO n/a n/a
38 2G5B - PRO THR SER SER GLU GLN ILE n/a n/a
39 2R1X Kd = 16 uM KDD KDA n/a n/a
40 3OKK - KDA KDO n/a n/a
41 3OKE - KO2 C11 H18 O9 C=CCO[C@@]....
42 3OKN - KDO KDO KDA n/a n/a
43 3HZM Kd = 0.00000145 M KDO C8 H14 O8 C1[C@H]([C....
44 2R23 Kd = 190 uM KO1 KDA n/a n/a
45 1Q9W - KDO KDO KDO n/a n/a
46 3T65 - KDA KDO n/a n/a
47 2R1W Kd = 25 uM KDB KDA n/a n/a
48 3OKO - KDA KDO KDO n/a n/a
49 3HZV - KDA KDO KDO n/a n/a
50 3T4Y - KDO C8 H14 O8 C1[C@H]([C....
51 3OKD - KDO C8 H14 O8 C1[C@H]([C....
52 3T77 - KDA KDO n/a n/a
53 3HZY Kd = 10 uM KDA KDO KDO n/a n/a
54 2R2H - KO2 C11 H18 O9 C=CCO[C@@]....
55 3BPC Kd = 16 uM KDB KDA n/a n/a
56 4HGW Kd = 0.00000145 M KTU KDO n/a n/a
57 1Y0L Kd ~ 1 nM HAN C14 H19 N3 O2 Cc1cc2c(cc....
58 1E4W Kd = 25 nM SER HIS PHE ASN GLU TYR GLU n/a n/a
59 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
60 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
61 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
62 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
63 1F3D - TPM C12 H18 N3 c1cc(ccc1C....
64 2OK0 Kd = 0.2 nM DT DC n/a n/a
65 1MRF - DI C10 H13 N4 O7 P c1nc2c(n1[....
66 1MRD - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
67 1MRE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
68 5MY4 - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
69 3FO0 - BZH C12 H14 N4 O3 c1cc2c(cc1....
70 3FO2 - BZH C12 H14 N4 O3 c1cc2c(cc1....
71 3FO1 - BZH C12 H14 N4 O3 c1cc2c(cc1....
72 1ZLS - MAN MAN MAN MAN n/a n/a
73 3OAU - MAN MAN n/a n/a
74 1OP3 - MAN C6 H12 O6 C([C@@H]1[....
75 3OAZ - 2M5 C8 H16 O6 C[C@@H]([C....
76 4RBP - KDO MAN MAN MAN MAN MAN n/a n/a
77 3OAY - BDF C6 H12 O6 C1[C@H]([C....
78 5MYO - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
79 1QYG - BCG C16 H19 N O4 C[N@]1[C@H....
80 1RIV - OBE C16 H19 N O5 C[N@H+]1[C....
81 1Q72 Kd = 0.00000145 M COC C17 H21 N O4 C[N@]1[C@H....
82 1RIU - RBE C15 H17 N O4 c1ccc(cc1)....
83 3FN0 Kd ~ 40 uM TRP ASN TRP PHE ASP ILE THR ASN LYS n/a n/a
84 1S3K Kd = 0.24 uM FUC GAL NDG FUC n/a n/a
85 3EYV - FUC GAL NDG FUC n/a n/a
86 5I8C - ALA VAL GLY ILE GLY ALA VAL PHE LEU n/a n/a
87 2AJX - TGN C16 H22 N O5 P C[N@]1[C@H....
88 2AJZ - ECG C10 H17 N O3 C[N@]1[C@H....
89 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
90 2AJV - COC C17 H21 N O4 C[N@]1[C@H....
91 2AJY - ECG C10 H17 N O3 C[N@]1[C@H....
92 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
93 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
94 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCO[C@@]....
95 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
96 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
97 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
98 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
99 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
100 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
101 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
102 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
103 4OCX Kd = 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
104 4S1D - 41M C16 H29 N5 O3 S C1[C@H]2[C....
105 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
106 5JOP - GAL BGC NAG GAL n/a n/a
107 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
108 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
109 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
110 1JGU - HBC C20 H21 N O c1ccc(cc1)....
111 2DDQ - HRB C17 H27 N3 O5 CCCCC[C@@H....
112 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
113 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
114 1JGL Kd = 2 nM EST C18 H24 O2 C[C@]12CC[....
115 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCC[C@H](....
116 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCO[C@....
117 2Z92 Kd = 66.7 nM ENE C22 H30 O8 C1C=CCO[C@....
118 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
119 5EOQ - LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU n/a n/a
120 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
121 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
122 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
123 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
124 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
125 1EAP - HEP C15 H22 N O6 P CCCC[C@H](....
126 5T78 Kd = 43 nM NGA ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
127 5T6P Kd = 880 nM ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
128 4TUO - SIA GAL SIA GLC NGA n/a n/a
129 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
130 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
131 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
132 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
133 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
134 3C6S - RAM RAM RAM GLC NAG RAM RAM RAM GLC NAG RAM n/a n/a
135 1M7D Ka = 1700000 M^-1 RAM RAE MAG n/a n/a
136 1M7I Ka = 250000 M^-1 RAM RAM RAM NAG RAO n/a n/a
137 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
138 1XF2 - DT DT DT n/a n/a
139 5ALC - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
140 4ODV - GP1 Z9M n/a n/a
141 1KEG - DT 64T DT DT n/a n/a
142 1EHL - 5HT DT n/a n/a
143 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)[C....
144 1CLY - FUC GAL NAG NON FUC n/a n/a
145 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
146 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
147 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
148 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
149 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
150 5DYO - FLU C20 H12 O5 c1ccc(c(c1....
151 4UIN Kd = 24 nM QI9 C20 H24 N2 O2 COc1ccc2c(....
152 3V0W Kd = 32 nM PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO n/a n/a
153 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
154 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
155 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
156 1YNK - SC5 C18 H26 N4 O2 C[C@H](c1c....
157 1I7Z Kd = 0.4 uM COC C17 H21 N O4 C[N@]1[C@H....
158 2O5Z Kd = 110 mM ANO C19 H28 O2 C[C@]12CCC....
159 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
160 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
161 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
162 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
163 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
164 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
165 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
166 1UM5 - SS1 C8 H10 O C[C@@H](c1....
167 1UM4 - SH4 C17 H19 N O4 P C[C@@H](c1....
168 1VPO Kd = 0.00000145 M TES C19 H28 O2 C[C@]12CC[....
169 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
170 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
171 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
172 4YHK ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
173 4YHM ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
174 4YHO ic50 = 2.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
175 4YHI ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
176 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
177 1IGJ Kd = 0.1 nM DGX C41 H64 O14 C[C@@H]1[C....
178 1UZ8 Kd = 10.75 uM MAG FUC GAL n/a n/a
179 4ODT - GP1 Z9M n/a n/a
180 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
181 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
182 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
183 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
184 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
185 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
186 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
187 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
188 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
189 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
50% Homology Family (220)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 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 3QG6 ic50 = 0.73 nM TYR SER THR CYS TYR PHE ILE MET n/a n/a
5 3IF1 - NGA C8 H15 N O6 CC(=O)N[C@....
6 3IET Kd = 0.14 uM GLY THR LYS PRO PRO LEU GLU GLU LEU A2G n/a n/a
7 3PHQ - KDO C8 H14 O8 C1[C@H]([C....
8 2HRP - MET SER LEU PRO GLY ARG TRP LYS PRO LYS n/a n/a
9 5NBW - 8SK C20 H12 O c1ccc2c(c1....
10 4OJF - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
11 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
12 5D6C - 57S C13 H26 N O13 P CC(=O)N[C@....
13 2BMK Kd = 2.4 uM PDD C11 H17 N2 O7 P Cc1c(c(c(c....
14 1WC7 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
15 1WCB Kd = 26 nM PE1 C14 H24 N3 O7 P Cc1c(c(c(c....
16 1MJ7 Kd = 4.5 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
17 1MH5 Kd = 0.61 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
18 3I9G Kd = 1.1 nM S1P C18 H38 N O5 P CCCCCCCCCC....
19 1F4X Kd = 2.6 uM MGS C12 H23 N O7 C[C@@H]1[C....
20 1AJ7 Kd = 135 uM NPE C11 H13 N O7 P c1cc(ccc1[....
21 1GAF Kd = 10 nM NPE C11 H13 N O7 P c1cc(ccc1[....
22 3CFD - SPB C19 H19 N O3 c1ccc(cc1)....
23 4JN2 - C24 C27 H29 N7 O3 CCOC(=O)CC....
24 1U8M - GLU LEU ASP LYS TYR ALA SER n/a n/a
25 3IDG - ALA LEU ASP LYS TRP ASP n/a n/a
26 1TJG - GLU LEU ASP LYS TRP ALA SER n/a n/a
27 1U93 - GLU GLN ASP LYS TRP ALA SER n/a n/a
28 1U8H - ALA LEU ASP LYS TRP ALA SER n/a n/a
29 1U8Q - GLU LEU GLU LYS TRP ALA SER n/a n/a
30 3IDJ - GLU LEU ASP ORN TRP ALA SER n/a n/a
31 2F5B - GLU LEU ASP LYS TRP ALA SER n/a n/a
32 1U92 - GLU ALA ASP LYS TRP GLN SER n/a n/a
33 1U8I - GLU LEU ASP LYS TRP ALA ASN n/a n/a
34 1U95 - GLU LEU ASP HIS TRP ALA SER n/a n/a
35 1U8J - GLU LEU ASP LYS TRP ALA GLY n/a n/a
36 3IDI - ALA LEU ASP LYS TRP GLN ASN n/a n/a
37 3IDN - GLU LEU ASP HOX TRP ALA SER n/a n/a
38 1U91 - GLU ASN ASP LYS TRP ALA SER n/a n/a
39 3IDM - GLU LEU ASP NRG TRP ALA SER n/a n/a
40 1U8K - LEU GLU LEU ASP LYS TRP ALA SER LEU n/a n/a
41 2C1P - FNZ C18 H15 F N4 O c1cc(ccc1C....
42 2R2E - KDE C11 H18 O8 C=CCO[C@@]....
43 3SY0 - KDA KDO KDO n/a n/a
44 3OKL - KDA KDO n/a n/a
45 2R1Y Kd = 31 uM KDR KDO n/a n/a
46 2R2B - KDA KDO KDO n/a n/a
47 2G5B - PRO THR SER SER GLU GLN ILE n/a n/a
48 2R1X Kd = 16 uM KDD KDA n/a n/a
49 3OKK - KDA KDO n/a n/a
50 3OKE - KO2 C11 H18 O9 C=CCO[C@@]....
51 3OKN - KDO KDO KDA n/a n/a
52 3HZM Kd = 0.00000145 M KDO C8 H14 O8 C1[C@H]([C....
53 2R23 Kd = 190 uM KO1 KDA n/a n/a
54 1Q9W - KDO KDO KDO n/a n/a
55 3T65 - KDA KDO n/a n/a
56 2R1W Kd = 25 uM KDB KDA n/a n/a
57 3OKO - KDA KDO KDO n/a n/a
58 3HZV - KDA KDO KDO n/a n/a
59 3T4Y - KDO C8 H14 O8 C1[C@H]([C....
60 3OKD - KDO C8 H14 O8 C1[C@H]([C....
61 3T77 - KDA KDO n/a n/a
62 3HZY Kd = 10 uM KDA KDO KDO n/a n/a
63 3HZK Kd = 30 uM KDA KDO n/a n/a
64 2R2H - KO2 C11 H18 O9 C=CCO[C@@]....
65 3BPC Kd = 16 uM KDB KDA n/a n/a
66 4HGW Kd = 0.00000145 M KTU KDO n/a n/a
67 1Y0L Kd ~ 1 nM HAN C14 H19 N3 O2 Cc1cc2c(cc....
68 1E4W Kd = 25 nM SER HIS PHE ASN GLU TYR GLU n/a n/a
69 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
70 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
71 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
72 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
73 1F3D - TPM C12 H18 N3 c1cc(ccc1C....
74 2OK0 Kd = 0.2 nM DT DC n/a n/a
75 1MRF - DI C10 H13 N4 O7 P c1nc2c(n1[....
76 1MRD - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
77 1MRE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
78 5MY4 - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
79 3FO0 - BZH C12 H14 N4 O3 c1cc2c(cc1....
80 3FO2 - BZH C12 H14 N4 O3 c1cc2c(cc1....
81 3FO1 - BZH C12 H14 N4 O3 c1cc2c(cc1....
82 1ZLS - MAN MAN MAN MAN n/a n/a
83 3OAU - MAN MAN n/a n/a
84 1OP3 - MAN C6 H12 O6 C([C@@H]1[....
85 3OAZ - 2M5 C8 H16 O6 C[C@@H]([C....
86 4RBP - KDO MAN MAN MAN MAN MAN n/a n/a
87 3OAY - BDF C6 H12 O6 C1[C@H]([C....
88 5DTF - 5CT C10 H23 N3 O3 C(CCNC[C@H....
89 5MYO - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
90 1QYG - BCG C16 H19 N O4 C[N@]1[C@H....
91 1RIV - OBE C16 H19 N O5 C[N@H+]1[C....
92 1Q72 Kd = 0.00000145 M COC C17 H21 N O4 C[N@]1[C@H....
93 1RIU - RBE C15 H17 N O4 c1ccc(cc1)....
94 3FN0 Kd ~ 40 uM TRP ASN TRP PHE ASP ILE THR ASN LYS n/a n/a
95 1S3K Kd = 0.24 uM FUC GAL NDG FUC n/a n/a
96 3EYV - FUC GAL NDG FUC n/a n/a
97 5I8C - ALA VAL GLY ILE GLY ALA VAL PHE LEU n/a n/a
98 2AJX - TGN C16 H22 N O5 P C[N@]1[C@H....
99 2AJZ - ECG C10 H17 N O3 C[N@]1[C@H....
100 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
101 2AJV - COC C17 H21 N O4 C[N@]1[C@H....
102 2AJY - ECG C10 H17 N O3 C[N@]1[C@H....
103 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
105 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCO[C@@]....
106 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
107 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
108 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
109 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
110 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
111 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
112 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
113 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
114 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
115 4OCX Kd = 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
116 4S1D - 41M C16 H29 N5 O3 S C1[C@H]2[C....
117 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
118 5EOR - ASP VAL GLN THR GLY ARG ARG PRO TYR GLU n/a n/a
119 5JOP - GAL BGC NAG GAL n/a n/a
120 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
121 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
122 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
123 1JGU - HBC C20 H21 N O c1ccc(cc1)....
124 2DDQ - HRB C17 H27 N3 O5 CCCCC[C@@H....
125 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
126 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
127 1JGL Kd = 2 nM EST C18 H24 O2 C[C@]12CC[....
128 3T0W - DIW C26 H29 N2 O3 S CC1(c2cccc....
129 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCC[C@H](....
130 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCO[C@....
131 2Z92 Kd = 66.7 nM ENE C22 H30 O8 C1C=CCO[C@....
132 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
133 5EOQ - LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU n/a n/a
134 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
135 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
136 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
137 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
138 3TV3 - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
139 3TWC - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
140 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
141 1EAP - HEP C15 H22 N O6 P CCCC[C@H](....
142 5T78 Kd = 43 nM NGA ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
143 5T6P Kd = 880 nM ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
144 4TUO - SIA GAL SIA GLC NGA n/a n/a
145 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
146 3DUU - KDO C8 H14 O8 C1[C@H]([C....
147 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
148 1MFE - GLA MAN ABE n/a n/a
149 1MFB - GLA MAN RAM RAM ABE MAN GLA n/a n/a
150 1MFD Kd = 4.9 uM GLA MMA ABE n/a n/a
151 1MFC - GLA MAN RAM ABE n/a n/a
152 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
153 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
154 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
155 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
156 3C6S - RAM RAM RAM GLC NAG RAM RAM RAM GLC NAG RAM n/a n/a
157 1M7D Ka = 1700000 M^-1 RAM RAE MAG n/a n/a
158 1M7I Ka = 250000 M^-1 RAM RAM RAM NAG RAO n/a n/a
159 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
160 1OAU Kd = 20 nM DNF SER n/a n/a
161 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
162 1XF2 - DT DT DT n/a n/a
163 2OMN - IPH C6 H6 O c1ccc(cc1)....
164 2YKL - NLD C17 H25 N3 O3 CCNC(=O)CC....
165 2YK1 Kd = 7.4 nM NCT C10 H14 N2 C[N@@]1CCC....
166 5ALB - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
167 5ALC - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
168 1NGP - NPA C8 H7 N O5 c1cc(c(cc1....
169 4ODV - GP1 Z9M n/a n/a
170 1KEG - DT 64T DT DT n/a n/a
171 1EHL - 5HT DT n/a n/a
172 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)[C....
173 1CLY - FUC GAL NAG NON FUC n/a n/a
174 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
175 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
176 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
177 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
178 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
179 5DYO - FLU C20 H12 O5 c1ccc(c(c1....
180 4UIN Kd = 24 nM QI9 C20 H24 N2 O2 COc1ccc2c(....
181 3V0W Kd = 32 nM PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO n/a n/a
182 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
183 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
184 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
185 1YNK - SC5 C18 H26 N4 O2 C[C@H](c1c....
186 1I7Z Kd = 0.4 uM COC C17 H21 N O4 C[N@]1[C@H....
187 2O5Z Kd = 110 mM ANO C19 H28 O2 C[C@]12CCC....
188 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
189 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
190 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
191 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
192 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
193 1IND Ka = 11000000000 M^-1 EOT C20 H28 N4 O9 S c1cc(ccc1C....
194 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
195 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
196 1UM5 - SS1 C8 H10 O C[C@@H](c1....
197 1UM4 - SH4 C17 H19 N O4 P C[C@@H](c1....
198 1VPO Kd = 0.00000145 M TES C19 H28 O2 C[C@]12CC[....
199 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
200 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
201 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
202 1Q0Y Kd ~ 1 nM MOI C17 H19 N O3 C[N@]1CC[C....
203 4YHK ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
204 4YHM ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
205 4YHO ic50 = 2.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
206 4YHI ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
207 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
208 1IGJ Kd = 0.1 nM DGX C41 H64 O14 C[C@@H]1[C....
209 1UZ8 Kd = 10.75 uM MAG FUC GAL n/a n/a
210 4ODT - GP1 Z9M n/a n/a
211 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
212 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
213 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
214 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
215 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
216 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
217 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
218 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
219 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
220 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLU PRO GLN ALA PRO TRP MET GLU GLN; Similar ligands found: 131
No: Ligand ECFP6 Tc MDL keys Tc
1 GLU PRO GLN ALA PRO TRP MET GLU GLN 1 1
2 GLU PRO GLN ALA PRO TRP MET GLU 0.839695 1
3 MET TYR TRP TYR PRO TYR 0.55102 0.852941
4 SER ASN TRP SER HIS PRO GLN PHE GLU LYS 0.542169 0.75
5 ALA PRO ALA TRP LEU PHE GLU ALA 0.531646 0.876923
6 GLY SER ASP PRO TRP LYS 0.531034 0.782609
7 MET HIS PRO ALA GLN THR SER GLN TRP 0.526627 0.861111
8 PRO ARG PRO ILE LEU LEU PRO TRP ARG NH2 0.51875 0.763889
9 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.517647 0.783784
10 ALA GLN TRP GLY PRO ASP PRO ALA ALA ALA 0.515337 0.876923
11 GLY GLU GLU TRP GLY PRO TRP VAL NH2 0.513514 0.833333
12 TRP PRO TRP 0.511628 0.796875
13 TRP GLU TYR ILE PRO ASN VAL 0.509202 0.780822
14 GLU GLY PRO ARG ASN GLN ASP TRP LEU 0.505882 0.783784
15 ALA VAL PRO TRP 0.503704 0.828125
16 MET TRP ARG PRO TRP 0.496774 0.802817
17 ARG GLN TRP GLY PRO ASP PRO ALA ALA VAL 0.485876 0.791667
18 SER PRO LEU ASP SER LEU TRP TRP ILE 0.48125 0.791667
19 PRO GLN PRO VAL ASP SER TRP VAL 0.479042 0.814286
20 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.479042 0.771429
21 LEU PRO PHE GLU LYS SER THR VAL MET 0.478788 0.802817
22 PRO LYS LEU GLU PRO TRP LYS HIS PRO 0.474576 0.863636
23 ALA SER ASN GLU ASN TRP GLU THR MET 0.473684 0.732394
24 LEU PRO PHE GLU ARG ALA THR VAL MET 0.47093 0.75
25 ALA TRP ARG HIS PRO GLN PHE GLY GLY 0.468927 0.763889
26 SER LEU LEU MET TRP ILE THR GLN SER 0.468354 0.722222
27 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.468354 0.75
28 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.466667 0.815789
29 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.466667 0.847222
30 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.466292 0.785714
31 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.466258 0.814286
32 SER LEU LEU MET TRP ILE THR GLN ALA 0.465409 0.722222
33 SER LEU LEU MET TRP ILE THR GLN LEU 0.464968 0.722222
34 ASN ASP TRP LEU LEU PRO SER TYR 0.464706 0.773333
35 ASN PRO ARG ALA MET GLN ALA LEU LEU 0.464516 0.753425
36 MET VAL TRP GLY PRO ASP PRO LEU TYR VAL 0.464088 0.859155
37 GLU ALA ASP LYS TRP GLN SER 0.463576 0.720588
38 LEU PRO PHE GLU ARG ALA THR ILE MET 0.462857 0.74026
39 THR LEU PRO TRP ASP LEU TRP THR THR 0.4625 0.814286
40 GLN GLU GLU TRP SEP THR VAL MET 0.462025 0.675325
41 LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.460227 0.75
42 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.458101 0.794521
43 PHE ALA PRO GLY ASN TYR PRO ALA TRP 0.457143 0.805556
44 ILE MET ASP GLN VAL PRO PHE SER VAL 0.45509 0.802817
45 GLU GLN ASP LYS TRP ALA SER 0.453947 0.720588
46 ASN TRP SER HIS PRO GLN PHE GLU LYS 0.45283 0.815385
47 VAL MET ALA PRO ARG THR LEU PHE LEU 0.452381 0.75
48 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.450867 0.772152
49 GLN MET PRO THR GLU ASP GLU TYR 0.450617 0.842857
50 SER LEU LEU MET TRP ILE THR GLN CYS 0.450617 0.722222
51 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.45 0.802817
52 ALA LEU TRP GLY PHE PHE PRO VAL LEU 0.449704 0.848485
53 GLU LEU GLU LYS TRP ALA SER 0.449664 0.720588
54 ALA LEU TRP GLY PHE VAL PRO VAL LEU 0.447059 0.848485
55 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 0.446429 0.785714
56 VAL CYS TRP GLY GLU LEU MET ASN LEU 0.445122 0.794118
57 ASP TRP GLU ILE VAL 0.444444 0.666667
58 ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 0.444444 0.77027
59 SER LEU LEU MET TRP ILE THR GLN VAL 0.444444 0.722222
60 THR PRO TYR ASP ILE ASN GLN MET LEU 0.444444 0.794521
61 TRP GLU GLU LEU 0.443609 0.703125
62 SER TRP PHE PRO 0.441379 0.742857
63 ALA PRO GLN PRO ALA PRO GLU ASN ALA TYR 0.440994 0.785714
64 FME ASP VAL GLU ALA TRP LEU 0.438272 0.769231
65 GLY TYR GLN ASP TYR GLU PRO GLU ALA 0.436242 0.735294
66 VAL MET ALA PRO ARG ALA LEU LEU LEU 0.435065 0.774648
67 PHE LEU TRP GLY PRO ARG ALA LEU VAL 0.435028 0.791667
68 PCA GLN TRP 0.434783 0.703125
69 ALA LEU TRP GLY PRO ASP PRO ALA ALA ALA 0.434524 0.863636
70 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.433735 0.815385
71 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.433155 0.721519
72 PHE SER ASP PRO TRP GLY GLY 0.432927 0.771429
73 ACE GLU TRP TRP TRP 0.431818 0.6875
74 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.430303 0.757143
75 PRO ALA TRP LEU PHE GLU ALA 0.429448 0.769231
76 ACE TRP ARG VAL PRO 0.428571 0.788732
77 ARG PHE PRO LEU THR PHE GLY TRP 0.427778 0.74026
78 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.425287 0.705128
79 MET ASP TRP ASN MET HIS ALA ALA 0.425 0.791045
80 ARG GLN ALA SEP ILE GLU LEU PRO SER MET 0.423913 0.674699
81 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.423313 0.802817
82 GLN ALA SER GLN GLU VAL LYS ASN TRP 0.423313 0.704225
83 THR PRO GLN ASP LEU ASN THR MET LEU 0.42236 0.8
84 ALA ALA TRP LEU PHE GLU ALA 0.422078 0.676923
85 MDL 0.421769 0.742857
86 ASP ASP TRP ASN TRP GLU VAL GLU ASP 0.421769 0.676471
87 ARG TYR PRO LEU THR PHE GLY TRP 0.421622 0.721519
88 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.421053 0.766234
89 LEU PRO PHE ASP LYS THR THR ILE MET 0.421053 0.814286
90 ARG PRO MET THR PHE LYS GLY ALA LEU 0.418994 0.763158
91 GLU GLU TYR LEU LYS ALA TRP THR PHE 0.418605 0.680556
92 ALA GLY SER VAL GLU GLN TPO PRO LYS LYS 0.417647 0.666667
93 TYR GLU TRP 0.417266 0.602941
94 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.416667 0.757143
95 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.41573 0.688312
96 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.415385 0.746835
97 ARG PRO MET THR TYR LYS GLY ALA LEU 0.414365 0.75641
98 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.414013 0.764706
99 LEU TYR ALA SER PRO GLN LEU GLU GLY PHE 0.412429 0.739726
100 LEU PRO PHE ASP LYS SER THR ILE MET 0.412429 0.791667
101 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.411429 0.692308
102 ACE ASN TRP GLU THR PHE 0.411392 0.657143
103 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.410811 0.75641
104 ALA TRP LEU PHE GLU ALA 0.410596 0.676923
105 GLU ASN ASP LYS TRP ALA SER 0.410256 0.685714
106 PRO GLU ALA THR ALA PRO PRO GLU GLU 0.410256 0.764706
107 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.410256 0.757143
108 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.409357 0.72973
109 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.409091 0.767123
110 ASP PHE GLU GLU ILE PRO GLU GLU TYS 0.408284 0.691358
111 LYS PRO SEP GLN GLU LEU 0.408163 0.702703
112 ABA SER LEU TRP ASN GLY PRO HIS LEU 0.407821 0.794521
113 GLU LEU ASP LYS TRP ALA ASN 0.407643 0.746269
114 ALA MET ALA PRO ARG THR LEU LEU LEU 0.40625 0.723684
115 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.406061 0.811594
116 ACE ALA PRO GLN VAL STA VAL MET HIS PRO 0.405714 0.84507
117 ARG ILE ILE PRO ARG HIS LEU GLN LEU 0.405714 0.753425
118 GLY LEU MET TRP LEU SER TYR PHE VAL 0.404762 0.689189
119 ACE TYR PRO ILE GLN GLU THR 0.403727 0.782609
120 ASP ASN TRP GLN ASN GLY THR SER 0.403727 0.661972
121 ILE ASP TRP PHE GLU GLY LYS GLU 0.403614 0.746269
122 THR SER THR LEU GLN GLU GLN ILE GLY TRP 0.403509 0.694444
123 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.402299 0.785714
124 LYS TRP LYS 0.401515 0.714286
125 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.401274 0.818182
126 PTR VAL PRO MET LEU 0.401274 0.756757
127 GLU LEU ASP LYS TRP ALA SER 0.401274 0.710145
128 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.401163 0.739726
129 ACE PHE MET AIB PM3 TRP GLU 1AC LEU NH2 0.40107 0.716216
130 ILE SER PRO ARG THR LEU ASP ALA TRP 0.4 0.74359
131 ALA ASN SER ARG TRP GLN ASP THR ARG LEU 0.4 0.657895
Similar Binding Sites (Proteins are less than 50% similar to leader)
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