-->
Receptor
PDB id Resolution Class Description Source Keywords
1A4K 2.4 Å NON-ENZYME: IMMUNE DIELS ALDER CATALYTIC ANTIBODY WITH TRANSITION STATE ANALOGUE MUS MUSCULUS IMMUNOGLOBULIN ANTIBODY CATALYTIC ANTIBODY DIELS ALDER GERMLINE
Ref.: IMMUNOLOGICAL ORIGINS OF BINDING AND CATALYSIS IN A DIELS-ALDERASE ANTIBODY. SCIENCE V. 279 1929 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CD A:5028;
A:5029;
L:5028;
L:5029;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
112.411 Cd [Cd+2...
FRA B:3083;
H:3083;
Valid;
Valid;
none;
none;
Kd = 0.01 uM
429.423 C21 H23 N3 O7 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1A4K 2.4 Å NON-ENZYME: IMMUNE DIELS ALDER CATALYTIC ANTIBODY WITH TRANSITION STATE ANALOGUE MUS MUSCULUS IMMUNOGLOBULIN ANTIBODY CATALYTIC ANTIBODY DIELS ALDER GERMLINE
Ref.: IMMUNOLOGICAL ORIGINS OF BINDING AND CATALYSIS IN A DIELS-ALDERASE ANTIBODY. SCIENCE V. 279 1929 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
70% Homology Family (222)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 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 6MSY - MAN MAN MAN MAN n/a n/a
11 3OAU - MAN MAN n/a n/a
12 6N35 - MAN C6 H12 O6 C([C@@H]1[....
13 6MUB - BMA MAN MAN MAN MAN n/a n/a
14 6MU3 - BMA MAN MAN MAN n/a n/a
15 3OAZ - 2M5 C8 H16 O6 C[C@@H]([C....
16 4RBP - KDO MAN MAN MAN MAN MAN n/a n/a
17 3OAY - BDF C6 H12 O6 C1[C@H]([C....
18 4OJF - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
19 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
20 5D6C - 57S C13 H26 N O13 P CC(=O)N[C@....
21 6DWA - HD4 C13 H26 N O13 P CC(=O)N[C@....
22 2BMK Kd = 2.4 uM PDD C11 H17 N2 O7 P Cc1c(c(c(c....
23 1WC7 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
24 1WCB Kd = 26 nM PE1 C14 H24 N3 O7 P Cc1c(c(c(c....
25 1MJ7 Kd = 4.5 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
26 1MH5 Kd = 0.61 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
27 3I9G Kd = 1.1 nM S1P C18 H38 N O5 P CCCCCCCCCC....
28 1AJ7 Kd = 135 uM NPE C11 H13 N O7 P c1cc(ccc1[....
29 1GAF Kd = 10 nM NPE C11 H13 N O7 P c1cc(ccc1[....
30 3CFD - SPB C19 H19 N O3 c1ccc(cc1)....
31 4JN2 - C24 C27 H29 N7 O3 CCOC(=O)CC....
32 1U8M - GLU LEU ASP LYS TYR ALA SER n/a n/a
33 3IDG - ALA LEU ASP LYS TRP ASP n/a n/a
34 1TJG - GLU LEU ASP LYS TRP ALA SER n/a n/a
35 1U93 - GLU GLN ASP LYS TRP ALA SER n/a n/a
36 1U8H - ALA LEU ASP LYS TRP ALA SER n/a n/a
37 1U8Q - GLU LEU GLU LYS TRP ALA SER n/a n/a
38 3IDJ - GLU LEU ASP ORN TRP ALA SER n/a n/a
39 2F5B - GLU LEU ASP LYS TRP ALA SER n/a n/a
40 1U92 - GLU ALA ASP LYS TRP GLN SER n/a n/a
41 1U8I - GLU LEU ASP LYS TRP ALA ASN n/a n/a
42 1U95 - GLU LEU ASP HIS TRP ALA SER n/a n/a
43 1U8J - GLU LEU ASP LYS TRP ALA GLY n/a n/a
44 3IDI - ALA LEU ASP LYS TRP GLN ASN n/a n/a
45 3IDN - GLU LEU ASP HOX TRP ALA SER n/a n/a
46 1U91 - GLU ASN ASP LYS TRP ALA SER n/a n/a
47 3IDM - GLU LEU ASP NRG TRP ALA SER n/a n/a
48 1U8K - LEU GLU LEU ASP LYS TRP ALA SER LEU n/a n/a
49 2C1P - FNZ C18 H15 F N4 O c1cc(ccc1C....
50 2R2E - KDE C11 H18 O8 C=CCO[C@@]....
51 3SY0 - KDA KDO KDO n/a n/a
52 3OKL - KDA KDO n/a n/a
53 2R1Y Kd = 31 uM KDR KDO n/a n/a
54 2R2B - KDA KDO KDO n/a n/a
55 2G5B - PRO THR SER SER GLU GLN ILE n/a n/a
56 2R1X Kd = 16 uM KDD KDA n/a n/a
57 3OKK - KDA KDO n/a n/a
58 3OKE - KO2 C11 H18 O9 C=CCO[C@@]....
59 3OKN - KDO KDO KDA n/a n/a
60 3HZM Kd = 0.00000145 M KDO C8 H14 O8 C1[C@H]([C....
61 2R23 Kd = 190 uM KO1 KDA n/a n/a
62 1Q9W - KDO KDO KDO n/a n/a
63 3T65 - KDA KDO n/a n/a
64 2R1W Kd = 25 uM KDB KDA n/a n/a
65 3OKO - KDA KDO KDO n/a n/a
66 3HZV - KDA KDO KDO n/a n/a
67 3T4Y - KDO C8 H14 O8 C1[C@H]([C....
68 3OKD - KDO C8 H14 O8 C1[C@H]([C....
69 3T77 - KDA KDO n/a n/a
70 3HZY Kd = 10 uM KDA KDO KDO n/a n/a
71 3HZK Kd = 30 uM KDA KDO n/a n/a
72 2R2H - KO2 C11 H18 O9 C=CCO[C@@]....
73 3BPC Kd = 16 uM KDB KDA n/a n/a
74 4HGW Kd = 0.00000145 M KTU KDO n/a n/a
75 5XQW Kd = 1.6 nM 8EU C9 H12 N O5 P CCP(=O)(O)....
76 5TKJ - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
77 6CDP - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
78 6CDM - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
79 1Y0L Kd ~ 1 nM HAN C14 H19 N3 O2 Cc1cc2c(cc....
80 1E4W Kd = 25 nM SER HIS PHE ASN GLU TYR GLU n/a n/a
81 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
82 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
83 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
84 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
85 1F3D - TPM C12 H18 N3 c1cc(ccc1C....
86 2OK0 Kd = 0.2 nM DT DC n/a n/a
87 1MRF - DI C10 H13 N4 O7 P c1nc2c(n1[....
88 1MRD - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
89 1MRE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
90 5MY4 - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
91 3FO0 - BZH C12 H14 N4 O3 c1cc2c(cc1....
92 3FO2 - BZH C12 H14 N4 O3 c1cc2c(cc1....
93 3FO1 - BZH C12 H14 N4 O3 c1cc2c(cc1....
94 5MYO - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
95 1QYG - BCG C16 H19 N O4 C[N@]1[C@H....
96 1RIV - OBE C16 H19 N O5 C[N@H+]1[C....
97 1Q72 Kd = 0.00000145 M COC C17 H21 N O4 C[N@]1[C@H....
98 1RIU - RBE C15 H17 N O4 c1ccc(cc1)....
99 3FN0 Kd ~ 40 uM TRP ASN TRP PHE ASP ILE THR ASN LYS n/a n/a
100 1S3K Kd = 0.24 uM FUC GAL NDG FUC n/a n/a
101 3EYV - FUC GAL NDG FUC n/a n/a
102 5I8C - ALA VAL GLY ILE GLY ALA VAL PHE LEU n/a n/a
103 2AJX - TGN C16 H22 N O5 P C[N@]1[C@H....
104 2AJZ - ECG C10 H17 N O3 C[N@]1[C@H....
105 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
106 2AJV - COC C17 H21 N O4 C[N@]1[C@H....
107 2AJY - ECG C10 H17 N O3 C[N@]1[C@H....
108 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
109 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
110 6DZN - AE3 C6 H14 O3 CCOCCOCCO
111 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCO[C@@]....
112 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
113 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
114 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
115 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
116 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
117 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
118 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
119 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
120 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
121 4OCX Kd = 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
122 4S1D - 41M C16 H29 N5 O3 S C1[C@H]2[C....
123 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
124 5JOP - GAL BGC NAG GAL n/a n/a
125 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
126 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
127 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
128 1JGU - HBC C20 H21 N O c1ccc(cc1)....
129 2DDQ - HRB C17 H27 N3 O5 CCCCC[C@@H....
130 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
131 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
132 1JGL Kd = 2 nM EST C18 H24 O2 C[C@]12CC[....
133 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCC[C@H](....
134 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCO[C@....
135 2Z92 Kd = 66.7 nM ENE C22 H30 O8 C1C=CCO[C@....
136 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
137 5EOQ - LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU n/a n/a
138 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
139 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
140 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
141 6EV2 - BGC C6 H12 O6 C([C@@H]1[....
142 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
143 3TWC - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
144 6B3D - MAN MAN MAN MAN MAN MAN MAN n/a n/a
145 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
146 1EAP - HEP C15 H22 N O6 P CCCC[C@H](....
147 5T78 Kd = 43 nM NGA ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
148 5T6P Kd = 880 nM ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
149 4TUO - SIA GAL SIA GLC NGA n/a n/a
150 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
151 1MFB - GLA MAN RAM RAM ABE MAN GLA n/a n/a
152 1MFD Kd = 4.9 uM GLA MMA ABE n/a n/a
153 1MFC - GLA MAN RAM ABE n/a n/a
154 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
155 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
156 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
157 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
158 3C6S - RAM RAM RAM GLC NAG RAM RAM RAM GLC NAG RAM n/a n/a
159 6DWI - HD4 C13 H26 N O13 P CC(=O)N[C@....
160 1M7D Ka = 1700000 M^-1 RAM RAE MAG n/a n/a
161 1M7I Ka = 250000 M^-1 RAM RAM RAM NAG RAO n/a n/a
162 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
163 5TKK - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
164 1XF2 - DT DT DT n/a n/a
165 6DF1 - LEU PTR LEU n/a n/a
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 6DW2 - HD4 C13 H26 N O13 P CC(=O)N[C@....
177 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
178 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
179 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
180 5DYO - FLU C20 H12 O5 c1ccc(c(c1....
181 4UIN Kd = 24 nM QI9 C20 H24 N2 O2 COc1ccc2c(....
182 3V0W Kd = 32 nM PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO n/a n/a
183 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
184 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
185 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
186 1YNK - SC5 C18 H26 N4 O2 C[C@H](c1c....
187 1I7Z Kd = 0.4 uM COC C17 H21 N O4 C[N@]1[C@H....
188 2O5Z Kd = 110 mM ANO C19 H28 O2 C[C@]12CCC....
189 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
190 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
191 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
192 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
193 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
194 1IND Ka = 11000000000 M^-1 EOT C20 H28 N4 O9 S c1cc(ccc1C....
195 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
196 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
197 1UM5 - SS1 C8 H10 O C[C@@H](c1....
198 1UM4 - SH4 C17 H19 N O4 P C[C@@H](c1....
199 1VPO Kd = 0.00000145 M TES C19 H28 O2 C[C@]12CC[....
200 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
201 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
202 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
203 1Q0Y Kd ~ 1 nM MOI C17 H19 N O3 C[N@]1CC[C....
204 6CDO - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
205 4YHK ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
206 4YHM ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
207 4YHO ic50 = 2.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
208 4YHI ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
209 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
210 1IGJ Kd = 0.1 nM DGX C41 H64 O14 C[C@@H]1[C....
211 1UZ8 Kd = 10.75 uM MAG FUC GAL n/a n/a
212 4ODT - GP1 Z9M n/a n/a
213 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
214 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
215 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
216 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
217 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
218 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
219 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
220 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
221 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
222 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
50% Homology Family (238)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 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 6MSY - MAN MAN MAN MAN n/a n/a
11 3OAU - MAN MAN n/a n/a
12 6N35 - MAN C6 H12 O6 C([C@@H]1[....
13 6MUB - BMA MAN MAN MAN MAN n/a n/a
14 6MU3 - BMA MAN MAN MAN n/a n/a
15 3OAZ - 2M5 C8 H16 O6 C[C@@H]([C....
16 4RBP - KDO MAN MAN MAN MAN MAN n/a n/a
17 3OAY - BDF C6 H12 O6 C1[C@H]([C....
18 4OJF - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
19 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
20 5D6C - 57S C13 H26 N O13 P CC(=O)N[C@....
21 6DWA - HD4 C13 H26 N O13 P CC(=O)N[C@....
22 2BMK Kd = 2.4 uM PDD C11 H17 N2 O7 P Cc1c(c(c(c....
23 1WC7 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
24 1WCB Kd = 26 nM PE1 C14 H24 N3 O7 P Cc1c(c(c(c....
25 1MJ7 Kd = 4.5 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
26 1MH5 Kd = 0.61 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
27 1MFA Kd = 9.1 uM GLA MMA ABE n/a n/a
28 3I9G Kd = 1.1 nM S1P C18 H38 N O5 P CCCCCCCCCC....
29 1F4X Kd = 2.6 uM MGS C12 H23 N O7 C[C@@H]1[C....
30 1AJ7 Kd = 135 uM NPE C11 H13 N O7 P c1cc(ccc1[....
31 1GAF Kd = 10 nM NPE C11 H13 N O7 P c1cc(ccc1[....
32 3CFD - SPB C19 H19 N O3 c1ccc(cc1)....
33 4JN2 - C24 C27 H29 N7 O3 CCOC(=O)CC....
34 1U8M - GLU LEU ASP LYS TYR ALA SER n/a n/a
35 3IDG - ALA LEU ASP LYS TRP ASP n/a n/a
36 1TJG - GLU LEU ASP LYS TRP ALA SER n/a n/a
37 1U93 - GLU GLN ASP LYS TRP ALA SER n/a n/a
38 1U8H - ALA LEU ASP LYS TRP ALA SER n/a n/a
39 1U8Q - GLU LEU GLU LYS TRP ALA SER n/a n/a
40 3IDJ - GLU LEU ASP ORN TRP ALA SER n/a n/a
41 2F5B - GLU LEU ASP LYS TRP ALA SER n/a n/a
42 1U92 - GLU ALA ASP LYS TRP GLN SER n/a n/a
43 1U8I - GLU LEU ASP LYS TRP ALA ASN n/a n/a
44 1U95 - GLU LEU ASP HIS TRP ALA SER n/a n/a
45 1U8J - GLU LEU ASP LYS TRP ALA GLY n/a n/a
46 3IDI - ALA LEU ASP LYS TRP GLN ASN n/a n/a
47 3IDN - GLU LEU ASP HOX TRP ALA SER n/a n/a
48 1U91 - GLU ASN ASP LYS TRP ALA SER n/a n/a
49 3IDM - GLU LEU ASP NRG TRP ALA SER n/a n/a
50 1U8K - LEU GLU LEU ASP LYS TRP ALA SER LEU n/a n/a
51 2C1P - FNZ C18 H15 F N4 O c1cc(ccc1C....
52 2R2E - KDE C11 H18 O8 C=CCO[C@@]....
53 3SY0 - KDA KDO KDO n/a n/a
54 3OKL - KDA KDO n/a n/a
55 2R1Y Kd = 31 uM KDR KDO n/a n/a
56 2R2B - KDA KDO KDO n/a n/a
57 2G5B - PRO THR SER SER GLU GLN ILE n/a n/a
58 2R1X Kd = 16 uM KDD KDA n/a n/a
59 3OKK - KDA KDO n/a n/a
60 3OKE - KO2 C11 H18 O9 C=CCO[C@@]....
61 3OKN - KDO KDO KDA n/a n/a
62 3HZM Kd = 0.00000145 M KDO C8 H14 O8 C1[C@H]([C....
63 2R23 Kd = 190 uM KO1 KDA n/a n/a
64 1Q9W - KDO KDO KDO n/a n/a
65 3T65 - KDA KDO n/a n/a
66 2R1W Kd = 25 uM KDB KDA n/a n/a
67 3OKO - KDA KDO KDO n/a n/a
68 3HZV - KDA KDO KDO n/a n/a
69 3T4Y - KDO C8 H14 O8 C1[C@H]([C....
70 3OKD - KDO C8 H14 O8 C1[C@H]([C....
71 3T77 - KDA KDO n/a n/a
72 3HZY Kd = 10 uM KDA KDO KDO n/a n/a
73 3HZK Kd = 30 uM KDA KDO n/a n/a
74 2R2H - KO2 C11 H18 O9 C=CCO[C@@]....
75 3BPC Kd = 16 uM KDB KDA n/a n/a
76 4HGW Kd = 0.00000145 M KTU KDO n/a n/a
77 5XQW Kd = 1.6 nM 8EU C9 H12 N O5 P CCP(=O)(O)....
78 5TKJ - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
79 6CDP - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
80 6CDM - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
81 1Y0L Kd ~ 1 nM HAN C14 H19 N3 O2 Cc1cc2c(cc....
82 1E4W Kd = 25 nM SER HIS PHE ASN GLU TYR GLU n/a n/a
83 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
84 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
85 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
86 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
87 1F3D - TPM C12 H18 N3 c1cc(ccc1C....
88 2OK0 Kd = 0.2 nM DT DC n/a n/a
89 1MRF - DI C10 H13 N4 O7 P c1nc2c(n1[....
90 1MRD - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
91 1MRE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
92 5MY4 - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
93 3FO0 - BZH C12 H14 N4 O3 c1cc2c(cc1....
94 3FO2 - BZH C12 H14 N4 O3 c1cc2c(cc1....
95 3FO1 - BZH C12 H14 N4 O3 c1cc2c(cc1....
96 5DTF - 5CT C10 H23 N3 O3 C(CCNC[C@H....
97 5MYO - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
98 1QYG - BCG C16 H19 N O4 C[N@]1[C@H....
99 1RIV - OBE C16 H19 N O5 C[N@H+]1[C....
100 1Q72 Kd = 0.00000145 M COC C17 H21 N O4 C[N@]1[C@H....
101 1RIU - RBE C15 H17 N O4 c1ccc(cc1)....
102 3FN0 Kd ~ 40 uM TRP ASN TRP PHE ASP ILE THR ASN LYS n/a n/a
103 1S3K Kd = 0.24 uM FUC GAL NDG FUC n/a n/a
104 3EYV - FUC GAL NDG FUC n/a n/a
105 5I8C - ALA VAL GLY ILE GLY ALA VAL PHE LEU n/a n/a
106 2AJX - TGN C16 H22 N O5 P C[N@]1[C@H....
107 2AJZ - ECG C10 H17 N O3 C[N@]1[C@H....
108 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
109 2AJV - COC C17 H21 N O4 C[N@]1[C@H....
110 2AJY - ECG C10 H17 N O3 C[N@]1[C@H....
111 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
112 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
113 6DZN - AE3 C6 H14 O3 CCOCCOCCO
114 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCO[C@@]....
115 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
116 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
117 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
118 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
119 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
120 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
121 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
122 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
123 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
124 4OCX Kd = 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
125 4S1D - 41M C16 H29 N5 O3 S C1[C@H]2[C....
126 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
127 5EOR - ASP VAL GLN THR GLY ARG ARG PRO TYR GLU n/a n/a
128 5JOP - GAL BGC NAG GAL n/a n/a
129 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
130 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
131 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
132 1JGU - HBC C20 H21 N O c1ccc(cc1)....
133 2DDQ - HRB C17 H27 N3 O5 CCCCC[C@@H....
134 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
135 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
136 1JGL Kd = 2 nM EST C18 H24 O2 C[C@]12CC[....
137 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCC[C@H](....
138 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCO[C@....
139 2Z92 Kd = 66.7 nM ENE C22 H30 O8 C1C=CCO[C@....
140 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
141 5EOQ - LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU n/a n/a
142 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
143 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
144 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
145 6EV2 - BGC C6 H12 O6 C([C@@H]1[....
146 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
147 3TV3 - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
148 3TWC - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
149 6B3D - MAN MAN MAN MAN MAN MAN MAN n/a n/a
150 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
151 1EAP - HEP C15 H22 N O6 P CCCC[C@H](....
152 5T78 Kd = 43 nM NGA ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
153 5T6P Kd = 880 nM ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
154 4TUO - SIA GAL SIA GLC NGA n/a n/a
155 1DL7 Kd = 0.32 uM NCH C11 H18 N2 O6 P C[N+](C)(C....
156 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
157 1MFE - GLA MAN ABE n/a n/a
158 1MFB - GLA MAN RAM RAM ABE MAN GLA n/a n/a
159 1MFD Kd = 4.9 uM GLA MMA ABE n/a n/a
160 1MFC - GLA MAN RAM ABE n/a n/a
161 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
162 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
163 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
164 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
165 3C6S - RAM RAM RAM GLC NAG RAM RAM RAM GLC NAG RAM n/a n/a
166 6DWI - HD4 C13 H26 N O13 P CC(=O)N[C@....
167 1M7D Ka = 1700000 M^-1 RAM RAE MAG n/a n/a
168 1M7I Ka = 250000 M^-1 RAM RAM RAM NAG RAO n/a n/a
169 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
170 5TKK - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
171 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
172 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
173 1OAU Kd = 20 nM DNF SER n/a n/a
174 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
175 1XF2 - DT DT DT n/a n/a
176 2OMN - IPH C6 H6 O c1ccc(cc1)....
177 2YKL - NLD C17 H25 N3 O3 CCNC(=O)CC....
178 2YK1 Kd = 7.4 nM NCT C10 H14 N2 C[N@@]1CCC....
179 6DF1 - LEU PTR LEU n/a n/a
180 5ALB - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
181 5ALC - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
182 1NGP - NPA C8 H7 N O5 c1cc(c(cc1....
183 4ODV - GP1 Z9M n/a n/a
184 1KEG - DT 64T DT DT n/a n/a
185 1EHL - 5HT DT n/a n/a
186 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)[C....
187 1CLY - FUC GAL NAG NON FUC n/a n/a
188 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
189 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
190 6DW2 - HD4 C13 H26 N O13 P CC(=O)N[C@....
191 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
192 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
193 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
194 5DYO - FLU C20 H12 O5 c1ccc(c(c1....
195 4UIN Kd = 24 nM QI9 C20 H24 N2 O2 COc1ccc2c(....
196 3V0W Kd = 32 nM PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO n/a n/a
197 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
198 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
199 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
200 1YNK - SC5 C18 H26 N4 O2 C[C@H](c1c....
201 1I7Z Kd = 0.4 uM COC C17 H21 N O4 C[N@]1[C@H....
202 2O5Z Kd = 110 mM ANO C19 H28 O2 C[C@]12CCC....
203 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
204 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
205 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
206 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
207 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
208 1IND Ka = 11000000000 M^-1 EOT C20 H28 N4 O9 S c1cc(ccc1C....
209 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
210 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
211 1UM5 - SS1 C8 H10 O C[C@@H](c1....
212 1UM4 - SH4 C17 H19 N O4 P C[C@@H](c1....
213 1VPO Kd = 0.00000145 M TES C19 H28 O2 C[C@]12CC[....
214 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
215 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
216 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
217 1Q0Y Kd ~ 1 nM MOI C17 H19 N O3 C[N@]1CC[C....
218 6CDO - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
219 4YHK ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
220 4YHM ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
221 4YHO ic50 = 2.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
222 4YHI ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
223 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
224 1IGJ Kd = 0.1 nM DGX C41 H64 O14 C[C@@H]1[C....
225 1UZ8 Kd = 10.75 uM MAG FUC GAL n/a n/a
226 4ODT - GP1 Z9M n/a n/a
227 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
228 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
229 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
230 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
231 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
232 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
233 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
234 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
235 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
236 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
237 6BE4 - NAG NAG NAG NAG NAG n/a n/a
238 6BE3 - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FRA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FRA 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1A4K; Ligand: FRA; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1a4k.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4LWM MHO 9.67742
Pocket No.: 2; Query (leader) PDB : 1A4K; Ligand: FRA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1a4k.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback