Receptor
PDB id Resolution Class Description Source Keywords
1YEG 2 Å NON-ENZYME: IMMUNE STRUCTURE OF IGG2A FAB FRAGMENT (D2.3) COMPLEXED WITH REACTION PRODUCT MUS MUSCULUS CATALYTIC ANTIBODY
Ref.: X-RAY STRUCTURES OF A HYDROLYTIC ANTIBODY AND OF COMPLEXES ELUCIDATE CATALYTIC PATHWAY FROM SUBSTRATE BINDING AND TRANSITION STATE STABILIZATION THROUGH WATER ATTACK AND PRODUCT RELEASE. PROC.NATL.ACAD.SCI.USA V. 94 7857 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT H:552;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
BPN L:551;
Valid;
none;
submit data
153.135 C7 H7 N O3 c1cc(...
ZN L:215;
L:216;
L:217;
L:218;
L:219;
L:220;
L:221;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YEJ 1.85 Å NON-ENZYME: IMMUNE CATALYTIC ANTIBODY COMPLEX MUS MUSCULUS ABZYME TRANSITION STATE ANALOG IMMUNE SYSTEM
Ref.: CROSSREACTIVITY, EFFICIENCY AND CATALYTIC SPECIFICITY OF AN ESTERASE-LIKE ANTIBODY. J.MOL.BIOL. V. 284 741 1998
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
2 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
3 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
4 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
5 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
6 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
7 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
8 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
9 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
70% Homology Family (236)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 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 3I9G Kd = 1.1 nM S1P C18 H38 N O5 P CCCCCCCCCC....
29 1AJ7 Kd = 135 uM NPE C11 H13 N O7 P c1cc(ccc1[....
30 1GAF Kd = 10 nM NPE C11 H13 N O7 P c1cc(ccc1[....
31 3CFD - SPB C19 H19 N O3 c1ccc(cc1)....
32 4JN2 - 4CC C25 H25 N7 O3 [H]/N=C(c1....
33 1U8M - GLU LEU ASP LYS TYR ALA SER n/a n/a
34 3IDG - ALA LEU ASP LYS TRP ASP n/a n/a
35 1TJG - GLU LEU ASP LYS TRP ALA SER n/a n/a
36 1U93 - GLU GLN ASP LYS TRP ALA SER n/a n/a
37 1U8H - ALA LEU ASP LYS TRP ALA SER n/a n/a
38 1U8Q - GLU LEU GLU LYS TRP ALA SER n/a n/a
39 3IDJ - GLU LEU ASP ORN TRP ALA SER n/a n/a
40 2F5B - GLU LEU ASP LYS TRP ALA SER n/a n/a
41 1U92 - GLU ALA ASP LYS TRP GLN SER n/a n/a
42 1U8I - GLU LEU ASP LYS TRP ALA ASN n/a n/a
43 1U95 - GLU LEU ASP HIS TRP ALA SER n/a n/a
44 1U8J - GLU LEU ASP LYS TRP ALA GLY n/a n/a
45 3IDI - ALA LEU ASP LYS TRP GLN ASN n/a n/a
46 3IDN - GLU LEU ASP HOX TRP ALA SER n/a n/a
47 1U91 - GLU ASN ASP LYS TRP ALA SER n/a n/a
48 3IDM - GLU LEU ASP NRG TRP ALA SER n/a n/a
49 1U8K - LEU GLU LEU ASP LYS TRP ALA SER LEU n/a n/a
50 2C1P - FNZ C18 H15 F N4 O c1cc(ccc1C....
51 2R2E - KDE C11 H18 O8 C=CCO[C@@]....
52 3SY0 - KDA KDO KDO n/a n/a
53 3OKL - KDA KDO n/a n/a
54 2R1Y Kd = 31 uM KDR KDO n/a n/a
55 2R2B - KDA KDO KDO n/a n/a
56 2G5B - PRO THR SER SER GLU GLN ILE n/a n/a
57 2R1X Kd = 16 uM KDA KDD n/a n/a
58 3OKK - KDA KDO n/a n/a
59 3OKE - KO2 C11 H18 O9 C=CCO[C@@]....
60 3OKN - KDA KDO KDO n/a n/a
61 3HZM Kd = 0.000000064 M KDO C8 H14 O8 C1[C@H]([C....
62 2R23 Kd = 190 uM KDA KO1 n/a n/a
63 1Q9W - GP1 GP4 KDO KDO KDO n/a n/a
64 3T65 - KDA KDO n/a n/a
65 2R1W Kd = 25 uM KDA KDB n/a n/a
66 3OKO - KDA KDO KDO n/a n/a
67 3HZV - KDA KDO KDO n/a n/a
68 3T4Y - KDO C8 H14 O8 C1[C@H]([C....
69 3OKD - KDO C8 H14 O8 C1[C@H]([C....
70 3T77 - KDA KDO n/a n/a
71 3HZY Kd = 0.000000064 M KDA KDO KDO n/a n/a
72 3HZK Kd = 0.3 M KDA KDO n/a n/a
73 2R2H - KO2 C11 H18 O9 C=CCO[C@@]....
74 3BPC Kd = 16 uM KDA KDB n/a n/a
75 4HGW Kd = 0.000000064 M KTU KDO n/a n/a
76 5XQW Kd = 1.6 nM 8EU C9 H12 N O5 P CCP(=O)(O)....
77 5TKJ - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
78 6CDP - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
79 6CDM - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
80 1Y0L Kd ~ 1 nM HAN C14 H19 N3 O2 Cc1cc2c(cc....
81 1E4W Kd = 25 nM SER HIS PHE ASN GLU TYR GLU n/a n/a
82 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
83 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
84 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
85 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
86 1F3D - TPM C12 H18 N3 c1cc(ccc1C....
87 2OK0 Kd = 0.2 nM DT DC n/a n/a
88 1MRF - DI C10 H13 N4 O7 P c1nc2c(n1[....
89 1MRD - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
90 1MRE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
91 6UG7 - BGC GAL GLA NGA GAL SIA n/a n/a
92 6UG8 - BGC GAL GLA NGA GAL SIA n/a n/a
93 5MY4 - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
94 3FO0 - BZH C12 H14 N4 O3 c1cc2c(cc1....
95 3FO2 - BZH C12 H14 N4 O3 c1cc2c(cc1....
96 3FO1 - BZH C12 H14 N4 O3 c1cc2c(cc1....
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 = 0.0000123 M COC C17 H21 N O4 C[N@]1[C@H....
101 1RIU - RBE C15 H17 N O4 c1ccc(cc1)....
102 6OBD - ASN ASP THR SER GLN THR SER SER PRO SER OPE n/a n/a
103 3FN0 Kd ~ 40 uM TRP ASN TRP PHE ASP ILE THR ASN LYS n/a n/a
104 1S3K Kd = 0.24 uM NDG FUC GAL FUC n/a n/a
105 3EYV - NDG FUC GAL FUC n/a n/a
106 5I8C - ALA VAL GLY ILE GLY ALA VAL PHE LEU n/a n/a
107 6UCE - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
108 6UCF - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
109 2AJX - TGN C16 H22 N O5 P C[N@]1[C@H....
110 2AJZ - ECG C10 H17 N O3 C[N@]1[C@H....
111 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
112 2AJV - COC C17 H21 N O4 C[N@]1[C@H....
113 2AJY - ECG C10 H17 N O3 C[N@]1[C@H....
114 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
115 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
116 6DZN - AE3 C6 H14 O3 CCOCCOCCO
117 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCO[C@@]....
118 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
119 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
120 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
121 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
122 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
123 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
124 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
125 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
126 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
127 4OCX Kd ~ 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
128 4S1D - 41M C16 H29 N5 O3 S C1[C@H]2[C....
129 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
130 5JOP - NAG GAL BGC GAL n/a n/a
131 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
132 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
133 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
134 1JGU - HBC C20 H21 N O c1ccc(cc1)....
135 2DDQ - HRB C17 H27 N3 O5 CCCCC[C@@H....
136 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
137 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
138 6MQC - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
139 1JGL Kd = 2 nM EST C18 H24 O2 C[C@]12CC[....
140 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCC[C@H](....
141 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCO[C@....
142 2Z92 Kd = 0.8 nM ENE C22 H30 O8 C1C=CCO[C@....
143 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
144 5EOQ - LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU n/a n/a
145 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
146 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
147 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
148 6EV2 - BGC C6 H12 O6 C([C@@H]1[....
149 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
150 3TWC - MAN AML MAN MAN MAN MAN MAN MAN MAN n/a n/a
151 6B3D - MAN MAN MAN MAN MAN MAN MAN n/a n/a
152 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
153 1EAP - HEP C15 H22 N O6 P CCCC[C@H](....
154 6C5J Kd = 68.5 nM GP1 Z9M KDO KDO KDO n/a n/a
155 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
156 6C5H Kd = 370 nM GP1 Z9M KDO KDO KDO n/a n/a
157 5T78 Kd = 43 nM NGA ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
158 5T6P Kd = 880 nM ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
159 4TUO - GLC GAL SIA NGA SIA n/a n/a
160 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
161 1MFB - RAM MAN GLA ABE RAM MAN GLA n/a n/a
162 1MFD Kd = 4.9 uM MMA GLA ABE n/a n/a
163 1MFC - RAM MAN GLA ABE n/a n/a
164 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
165 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
166 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
167 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
168 3C6S - RAM NAG RAM RAM RAM NAG RAM RAM RAM GLC GLC n/a n/a
169 6DWI - HD4 C13 H26 N O13 P CC(=O)N[C@....
170 6UBI - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
171 1M7D Ka = 1700000 M^-1 MAG RAE RAM n/a n/a
172 1M7I Ka = 250000 M^-1 RAO NAG RAM RAM RAM n/a n/a
173 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
174 5TKK - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
175 1XF2 - DT DT DT n/a n/a
176 6MQE - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
177 6DF1 - LEU PTR LEU n/a n/a
178 6DZR - FLC C6 H5 O7 C(C(=O)[O-....
179 5ALB - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
180 5ALC - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
181 1NGP - NPA C8 H7 N O5 c1cc(c(cc1....
182 4ODV - GP1 Z9M n/a n/a
183 1KEG - DT 64T DT DT n/a n/a
184 1EHL - 5HT DT n/a n/a
185 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)[C....
186 1CLY - NAG NON FUC GAL FUC n/a n/a
187 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
188 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
189 6DW2 - HD4 C13 H26 N O13 P CC(=O)N[C@....
190 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
191 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
192 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
193 5DYO - FLU C20 H12 O5 c1ccc(c(c1....
194 4UIN Kd = 24 nM QI9 C20 H24 N2 O2 COc1ccc2c(....
195 3V0W Kd = 32 nM KDO KDO GM0 GM0 GLC GMH GLC GLA GLC PA1 n/a n/a
196 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
197 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
198 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
199 1YNK - SC5 C18 H26 N4 O2 C[C@H](c1c....
200 1I7Z Kd = 0.4 uM COC C17 H21 N O4 C[N@]1[C@H....
201 2O5Z Kd = 110 mM ANO C19 H28 O2 C[C@]12CCC....
202 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
203 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
204 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
205 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
206 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
207 1IND Ka = 11000000000 M^-1 EOT C20 H28 N4 O9 S c1cc(ccc1C....
208 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
209 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
210 1UM5 - SS1 C8 H10 O C[C@@H](c1....
211 1UM4 - SH4 C17 H19 N O4 P C[C@@H](c1....
212 1VPO Kd = 0.000000064 M TES C19 H28 O2 C[C@]12CC[....
213 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
214 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
215 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
216 1Q0Y Kd ~ 1 nM MOI C17 H19 N O3 C[N@]1CC[C....
217 6CDO - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
218 6IDG Kd = 0.000000064 M 64T 5PY n/a n/a
219 4YHK ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
220 4YHM Kd = 173 pM 4CC C25 H25 N7 O3 [H]/N=C(c1....
221 4YHO Kd = 18 pM 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 Ka = 93000 M^-1 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)....
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: BPN; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 BPN 1 1
2 PNZ 0.5625 0.777778
3 4NM 0.5625 0.848485
4 AAN 0.527778 0.763158
5 NPO 0.46875 0.8
6 PPN 0.452381 0.644444
7 259 0.428571 0.657895
8 8EU 0.422222 0.632653
9 4NB 0.416667 0.777778
10 R8P 0.405405 0.823529
Similar Ligands (3D)
Ligand no: 1; Ligand: BPN; Similar ligands found: 830
No: Ligand Similarity coefficient
1 ANN 1.0000
2 4BZ 1.0000
3 E5X 1.0000
4 AMH 0.9880
5 SNO 0.9807
6 PHB 0.9807
7 RNO 0.9804
8 Z82 0.9798
9 174 0.9773
10 PAB 0.9745
11 8WO 0.9721
12 4MA 0.9689
13 PZM 0.9679
14 SW7 0.9677
15 HBD 0.9676
16 PBZ 0.9663
17 BZ3 0.9662
18 826 0.9662
19 P72 0.9659
20 1Y6 0.9651
21 4JC 0.9610
22 5OB 0.9598
23 2BG 0.9598
24 L14 0.9597
25 AC6 0.9594
26 LQ2 0.9565
27 5XC 0.9563
28 I3E 0.9551
29 4WL 0.9548
30 BCU 0.9535
31 A7N 0.9533
32 M4S 0.9533
33 4ZA 0.9520
34 1M2 0.9515
35 F9Y 0.9512
36 12T 0.9511
37 5LA 0.9510
38 XIY 0.9507
39 8ZE 0.9491
40 HBA 0.9490
41 HDH 0.9488
42 SN4 0.9486
43 717 0.9483
44 Z13 0.9482
45 4P5 0.9473
46 TYL 0.9472
47 0HO 0.9468
48 0HN 0.9467
49 FBB 0.9466
50 N2I 0.9466
51 CWJ 0.9465
52 DOB 0.9462
53 DHB 0.9452
54 K2T 0.9452
55 94W 0.9451
56 AES 0.9447
57 MR1 0.9446
58 KDV 0.9445
59 S7J 0.9444
60 KBZ 0.9440
61 3A9 0.9439
62 5NI 0.9435
63 6NI 0.9435
64 5CU 0.9434
65 BHA 0.9434
66 4M0 0.9434
67 93K 0.9430
68 1F1 0.9429
69 2HU 0.9427
70 FBF 0.9424
71 INO 0.9423
72 J6W 0.9423
73 IHB 0.9422
74 CLW 0.9420
75 E7S 0.9419
76 TZF 0.9415
77 4VP 0.9414
78 FHB 0.9414
79 DVQ 0.9411
80 BZ2 0.9409
81 6NT 0.9408
82 CHB 0.9406
83 4A3 0.9403
84 5NU 0.9402
85 ET2 0.9401
86 AX7 0.9400
87 MYJ 0.9400
88 2ZM 0.9399
89 SNU 0.9398
90 JAW 0.9397
91 FA0 0.9394
92 3NY 0.9390
93 MSR 0.9389
94 TSU 0.9380
95 JDN 0.9378
96 P9P 0.9377
97 C1M 0.9377
98 ICB 0.9377
99 LR5 0.9375
100 9TW 0.9374
101 6FZ 0.9372
102 JB8 0.9369
103 QSB 0.9366
104 428 0.9365
105 4JQ 0.9359
106 NNO 0.9359
107 ABI 0.9357
108 6RQ 0.9351
109 ABV 0.9349
110 JLZ 0.9348
111 36R 0.9348
112 FCR 0.9347
113 4NC 0.9347
114 MQN 0.9347
115 4FA 0.9346
116 0TU 0.9345
117 NF3 0.9345
118 ZYX 0.9344
119 4JE 0.9343
120 4J8 0.9337
121 F4K 0.9332
122 5VM 0.9330
123 ES2 0.9326
124 2A9 0.9322
125 ESP 0.9322
126 11S 0.9321
127 DE5 0.9318
128 ESX 0.9317
129 H8N 0.9316
130 1P8 0.9314
131 SAN 0.9311
132 AMS 0.9310
133 VGD 0.9307
134 3W8 0.9304
135 YRL 0.9303
136 CPZ 0.9303
137 FQI 0.9303
138 TH7 0.9297
139 4FS 0.9296
140 JAE 0.9296
141 4RU 0.9296
142 K4V 0.9294
143 2MI 0.9291
144 3HM 0.9291
145 4NZ 0.9290
146 6KT 0.9289
147 DHR 0.9289
148 1HN 0.9288
149 ES5 0.9288
150 03V 0.9287
151 2HO 0.9286
152 FBS 0.9284
153 4YO 0.9283
154 9R5 0.9282
155 GJP 0.9278
156 UNJ 0.9277
157 HMH 0.9276
158 AAS 0.9269
159 F4E 0.9267
160 C2B 0.9266
161 JB5 0.9263
162 R9Y 0.9262
163 2AQ 0.9256
164 MS9 0.9255
165 H4N 0.9253
166 SYV 0.9253
167 ODO 0.9249
168 FK1 0.9247
169 A5E 0.9245
170 8NY 0.9243
171 5MI 0.9241
172 XX2 0.9236
173 AM4 0.9235
174 3AE 0.9233
175 3ZB 0.9232
176 3DM 0.9227
177 270 0.9226
178 0JD 0.9221
179 ES9 0.9217
180 2K4 0.9214
181 4JM 0.9214
182 OTR 0.9213
183 S2G 0.9212
184 2FY 0.9209
185 H42 0.9209
186 0FN 0.9208
187 A7H 0.9204
188 5H1 0.9204
189 AEF 0.9204
190 OCH 0.9203
191 14O 0.9200
192 F60 0.9198
193 TGX 0.9197
194 KOJ 0.9195
195 4BL 0.9195
196 4CM 0.9195
197 IPB 0.9193
198 J9N 0.9192
199 COU 0.9191
200 5MB 0.9191
201 IFP 0.9189
202 E1T 0.9188
203 FBA 0.9187
204 6AI 0.9185
205 N4E 0.9185
206 36Y 0.9183
207 XM0 0.9181
208 4BY 0.9180
209 EHM 0.9179
210 15N 0.9177
211 4AA 0.9176
212 GUA 0.9176
213 4JL 0.9175
214 BSX 0.9170
215 3BU 0.9169
216 7W1 0.9169
217 FYU 0.9168
218 2QC 0.9166
219 8NB 0.9164
220 8H8 0.9157
221 5QY 0.9156
222 X0V 0.9155
223 FOC 0.9155
224 86L 0.9147
225 TIU 0.9143
226 KJH 0.9140
227 XQ0 0.9139
228 RB5 0.9138
229 HSO 0.9137
230 9ZE 0.9137
231 36E 0.9136
232 15E 0.9136
233 LDP 0.9136
234 KJU 0.9135
235 27B 0.9135
236 1IT 0.9133
237 TWO 0.9132
238 CTL 0.9131
239 1FD 0.9131
240 OW7 0.9125
241 67N 0.9124
242 9FL 0.9124
243 2HC 0.9124
244 9CA 0.9122
245 2FT 0.9121
246 SKM 0.9121
247 BZX 0.9120
248 RBJ 0.9116
249 FUD 0.9115
250 NSP 0.9114
251 D48 0.9113
252 14J 0.9112
253 TTL 0.9109
254 PBA 0.9108
255 L99 0.9107
256 ISZ 0.9103
257 HC4 0.9099
258 97T 0.9096
259 5QX 0.9096
260 AN3 0.9094
261 OVM 0.9093
262 IV2 0.9093
263 MAJ 0.9089
264 2BX 0.9085
265 IAC 0.9084
266 86J 0.9084
267 BHO 0.9084
268 173 0.9082
269 PHU 0.9081
270 1SA 0.9078
271 SLS 0.9075
272 XRG 0.9074
273 4Z4 0.9072
274 PPY 0.9072
275 JA8 0.9070
276 3R4 0.9068
277 J9T 0.9066
278 KMT 0.9064
279 HQT 0.9064
280 OQC 0.9063
281 HX3 0.9060
282 B57 0.9060
283 TAG 0.9058
284 SSC 0.9056
285 3PF 0.9054
286 S0E 0.9054
287 BNF 0.9053
288 K34 0.9053
289 PIY 0.9053
290 EVF 0.9052
291 M1A 0.9046
292 BEN 0.9046
293 OKG 0.9044
294 EYV 0.9042
295 PKU 0.9042
296 NYL 0.9042
297 DZA 0.9040
298 ZZT 0.9040
299 MAH 0.9039
300 E7Z 0.9039
301 GXY 0.9039
302 GDE 0.9039
303 M4T 0.9039
304 X0U 0.9039
305 HMU 0.9038
306 RBL 0.9038
307 NIZ 0.9037
308 CN0 0.9036
309 MLT 0.9035
310 J9Q 0.9034
311 5GU 0.9029
312 OW4 0.9029
313 JND 0.9028
314 RHU 0.9028
315 4HP 0.9028
316 FGZ 0.9027
317 J5I 0.9027
318 QSH 0.9025
319 PQK 0.9024
320 GF4 0.9020
321 CFI 0.9018
322 4FH 0.9016
323 G3E 0.9016
324 4JT 0.9016
325 BEZ 0.9016
326 4SX 0.9015
327 2HQ 0.9015
328 NFM 0.9015
329 5WV 0.9014
330 HHI 0.9014
331 SE2 0.9011
332 DHK 0.9011
333 GOJ 0.9010
334 XUL 0.9009
335 1L5 0.9009
336 PBC 0.9007
337 OOG 0.9006
338 I3A 0.9003
339 BAM 0.9003
340 HHH 0.9003
341 LPK 0.9001
342 NDH 0.9000
343 NCA 0.8999
344 EKZ 0.8998
345 K97 0.8997
346 88L 0.8995
347 KMY 0.8994
348 PHE 0.8990
349 4I8 0.8989
350 MET 0.8986
351 92P 0.8986
352 AKG 0.8986
353 SKA 0.8985
354 A29 0.8984
355 UNU 0.8984
356 NAG 0.8983
357 3ID 0.8982
358 GO2 0.8982
359 HIS 0.8981
360 6PC 0.8980
361 8WT 0.8980
362 7MU 0.8979
363 BDP 0.8978
364 TSS 0.8976
365 8K2 0.8975
366 0NX 0.8975
367 LNR 0.8975
368 IWT 0.8973
369 24B 0.8972
370 YCP 0.8970
371 NBZ 0.8969
372 3VX 0.8969
373 SEP 0.8969
374 I1E 0.8967
375 54Z 0.8964
376 AEG 0.8962
377 AL0 0.8960
378 268 0.8959
379 2F6 0.8957
380 BTY 0.8956
381 RAT 0.8954
382 6VD 0.8954
383 GWM 0.8954
384 0BP 0.8954
385 FBM 0.8953
386 5XB 0.8952
387 LLH 0.8952
388 4XR 0.8949
389 EA1 0.8946
390 VOH 0.8945
391 4TU 0.8944
392 4MB 0.8944
393 PIM 0.8943
394 069 0.8943
395 MEV 0.8942
396 GLN 0.8939
397 7VP 0.8938
398 QBK 0.8937
399 LCN 0.8934
400 SHA 0.8934
401 SRO 0.8933
402 N91 0.8930
403 OK7 0.8929
404 MPV 0.8929
405 SME 0.8928
406 7O4 0.8928
407 GJZ 0.8928
408 P92 0.8927
409 XAZ 0.8927
410 3HG 0.8926
411 4NS 0.8925
412 KKN 0.8925
413 7WG 0.8924
414 5WZ 0.8922
415 2EC 0.8922
416 BML 0.8919
417 BEA 0.8919
418 NIO 0.8914
419 7MW 0.8914
420 ES7 0.8913
421 4HM 0.8913
422 TIH 0.8912
423 PZA 0.8911
424 ASC 0.8908
425 L22 0.8907
426 DMD 0.8906
427 HX4 0.8906
428 NTN 0.8906
429 OAA 0.8906
430 F9P 0.8903
431 GLU 0.8902
432 GGL 0.8902
433 2CK 0.8902
434 4NP 0.8901
435 EUE 0.8900
436 80G 0.8900
437 5RO 0.8899
438 OGA 0.8899
439 ESI 0.8898
440 KTW 0.8897
441 ZEC 0.8897
442 PXL 0.8896
443 XDE 0.8896
444 ALE 0.8896
445 8W9 0.8894
446 EN1 0.8893
447 7W4 0.8893
448 NCT 0.8892
449 1CO 0.8892
450 CCU 0.8892
451 HQJ 0.8892
452 URO 0.8888
453 FAN 0.8887
454 BP9 0.8886
455 EE8 0.8885
456 IFL 0.8884
457 ZXD 0.8883
458 4XV 0.8882
459 RM1 0.8881
460 M3H 0.8881
461 R8V 0.8880
462 NOY 0.8880
463 2HG 0.8880
464 FEH 0.8879
465 GNM 0.8878
466 8XL 0.8878
467 3VS 0.8876
468 9FE 0.8875
469 ST2 0.8874
470 AC0 0.8874
471 YPN 0.8874
472 DIN 0.8873
473 ISN 0.8872
474 OVP 0.8871
475 5RN 0.8870
476 TPA 0.8870
477 PJW 0.8870
478 HA5 0.8868
479 PO6 0.8868
480 UA5 0.8866
481 42J 0.8866
482 B53 0.8865
483 BQ2 0.8864
484 3XR 0.8862
485 A7W 0.8860
486 SRT 0.8859
487 4XS 0.8858
488 E4P 0.8857
489 ST3 0.8853
490 13P 0.8851
491 Q07 0.8851
492 2D0 0.8851
493 M45 0.8850
494 MRW 0.8849
495 KTJ 0.8849
496 FDR 0.8848
497 0VT 0.8848
498 VNL 0.8847
499 PH2 0.8847
500 5JQ 0.8845
501 44V 0.8844
502 258 0.8844
503 8NX 0.8842
504 F1A 0.8842
505 GZL 0.8842
506 4VY 0.8839
507 SOR 0.8839
508 P9E 0.8838
509 B55 0.8837
510 B62 0.8837
511 ICO 0.8836
512 OHJ 0.8835
513 FP1 0.8835
514 GAB 0.8835
515 BNL 0.8834
516 92K 0.8833
517 SAL 0.8833
518 2KA 0.8833
519 NPY 0.8833
520 DHI 0.8833
521 4XF 0.8832
522 AHR 0.8832
523 BZJ 0.8831
524 12Q 0.8830
525 URC 0.8830
526 OTW 0.8830
527 44W 0.8830
528 KMH 0.8829
529 ASO 0.8827
530 DHS 0.8826
531 4HS 0.8825
532 FDB 0.8823
533 8TX 0.8822
534 4JN 0.8822
535 PAC 0.8822
536 IOL 0.8821
537 QMP 0.8820
538 SS1 0.8820
539 PXY 0.8820
540 CXF 0.8818
541 RSO 0.8817
542 449 0.8817
543 4JU 0.8816
544 4CH 0.8815
545 152 0.8814
546 DYA 0.8814
547 HHR 0.8813
548 52C 0.8812
549 NOJ 0.8811
550 QSC 0.8809
551 4SV 0.8809
552 9NB 0.8807
553 2AL 0.8806
554 1PT 0.8806
555 QUZ 0.8805
556 1Z6 0.8804
557 XIZ 0.8803
558 BE2 0.8802
559 C53 0.8802
560 GLO 0.8802
561 4V2 0.8801
562 MTL 0.8798
563 PCR 0.8797
564 OHG 0.8797
565 PRF 0.8796
566 Y3L 0.8796
567 TT4 0.8795
568 XHP 0.8794
569 DBH 0.8794
570 MVN 0.8793
571 GAL 0.8791
572 TYR 0.8790
573 75K 0.8789
574 YI6 0.8789
575 SD4 0.8788
576 GLC 0.8788
577 DGJ 0.8787
578 QX4 0.8786
579 4LW 0.8786
580 APS 0.8786
581 61M 0.8785
582 DQU 0.8785
583 F31 0.8785
584 3F0 0.8785
585 2MH 0.8783
586 LT2 0.8782
587 H5B 0.8782
588 FB2 0.8782
589 2O6 0.8781
590 2FX 0.8778
591 QWN 0.8777
592 BNS 0.8777
593 PGH 0.8776
594 N2M 0.8776
595 UFV 0.8775
596 0FK 0.8774
597 VGL 0.8774
598 CS2 0.8773
599 AZM 0.8772
600 K82 0.8772
601 G2F 0.8772
602 CIT 0.8772
603 XBT 0.8771
604 PEL 0.8770
605 363 0.8770
606 GP9 0.8770
607 PLQ 0.8770
608 SKF 0.8769
609 TYE 0.8769
610 9BF 0.8768
611 JTH 0.8767
612 HQE 0.8767
613 GLY GLY 0.8767
614 LDU 0.8764
615 QIC 0.8764
616 EXD 0.8762
617 ZBT 0.8762
618 GCO 0.8761
619 DGN 0.8760
620 2LP 0.8760
621 TCA 0.8759
622 LYS 0.8758
623 MEW 0.8758
624 25R 0.8758
625 JG8 0.8758
626 2GS 0.8758
627 LMR 0.8757
628 G3H 0.8756
629 G3P 0.8756
630 7N0 0.8756
631 EUG 0.8756
632 ES6 0.8754
633 CH9 0.8753
634 LG4 0.8751
635 QXW 0.8749
636 Q88 0.8748
637 3PG 0.8748
638 36M 0.8747
639 DHY 0.8746
640 6FB 0.8745
641 ARP 0.8745
642 M2K 0.8745
643 1DV 0.8744
644 6ME 0.8744
645 0FO 0.8742
646 GTR 0.8740
647 3M0 0.8740
648 8OZ 0.8739
649 PH3 0.8739
650 QIV 0.8739
651 L5V 0.8739
652 3DO 0.8739
653 LYL 0.8738
654 ADA 0.8736
655 JKE 0.8736
656 FHC 0.8736
657 N1E 0.8735
658 KYA 0.8735
659 M4E 0.8733
660 PRA 0.8730
661 INE 0.8728
662 GVG 0.8728
663 3C4 0.8727
664 1DW 0.8727
665 IF7 0.8727
666 82I 0.8727
667 FPN 0.8727
668 TH0 0.8726
669 PQ0 0.8726
670 3HA 0.8725
671 E79 0.8724
672 BVA 0.8723
673 XXG 0.8722
674 OVV 0.8722
675 8GC 0.8722
676 HHA 0.8721
677 M6N 0.8721
678 0P6 0.8719
679 AZ9 0.8718
680 PEA 0.8718
681 3U4 0.8717
682 PZI 0.8715
683 PD2 0.8715
684 TMG 0.8714
685 BE7 0.8714
686 S24 0.8714
687 MNM 0.8710
688 SR1 0.8708
689 Q24 0.8707
690 AEH 0.8706
691 SOE 0.8706
692 GYE 0.8702
693 4HC 0.8701
694 NMJ 0.8701
695 R20 0.8700
696 RMN 0.8698
697 5GT 0.8696
698 FA1 0.8695
699 FLC 0.8695
700 YZM 0.8695
701 3AB 0.8694
702 XCG 0.8694
703 VXX 0.8692
704 3NT 0.8691
705 R2B 0.8690
706 3HB 0.8689
707 MAE 0.8689
708 M58 0.8688
709 3Z8 0.8685
710 DEE 0.8683
711 7WV 0.8683
712 3OC 0.8683
713 3N1 0.8682
714 CUW 0.8679
715 GCU 0.8679
716 IDH 0.8678
717 FF2 0.8677
718 TLA 0.8677
719 0W1 0.8676
720 0F9 0.8674
721 PRZ 0.8673
722 AQO 0.8673
723 VK3 0.8673
724 FBJ 0.8672
725 DHC 0.8672
726 PMB 0.8670
727 P81 0.8668
728 F05 0.8667
729 NGA 0.8666
730 5HN 0.8666
731 GVY 0.8666
732 3XX 0.8666
733 M5K 0.8665
734 1WD 0.8664
735 VC3 0.8664
736 HQD 0.8664
737 5B1 0.8663
738 RD4 0.8661
739 4CS 0.8660
740 6TZ 0.8659
741 CWM 0.8659
742 QY9 0.8658
743 6M9 0.8658
744 1P7 0.8655
745 9RW 0.8654
746 PE0 0.8653
747 TTY 0.8652
748 RA7 0.8650
749 HCI 0.8650
750 KJY 0.8646
751 261 0.8646
752 SMN 0.8644
753 ES0 0.8643
754 MZT 0.8641
755 YH7 0.8639
756 53C 0.8639
757 PDC 0.8638
758 AZ8 0.8636
759 6AP 0.8635
760 G3F 0.8634
761 WCE 0.8631
762 680 0.8628
763 W81 0.8628
764 PFL 0.8626
765 ORN 0.8624
766 KUF 0.8624
767 CWS 0.8624
768 56D 0.8621
769 TXW 0.8621
770 AJ2 0.8620
771 ASP 0.8620
772 GLL 0.8618
773 6M4 0.8613
774 0CU 0.8610
775 VNJ 0.8608
776 ENO 0.8606
777 V1T 0.8605
778 PEP 0.8604
779 THA 0.8603
780 ZZZ 0.8602
781 E3D 0.8600
782 UY7 0.8600
783 7UC 0.8599
784 JBE 0.8598
785 QBP 0.8598
786 ACA 0.8597
787 S7S 0.8596
788 AG2 0.8596
789 SWA 0.8591
790 LVD 0.8591
791 FPY 0.8588
792 BRT 0.8587
793 GLA 0.8586
794 FBV 0.8585
795 IDM 0.8583
796 9DG 0.8581
797 7B4 0.8579
798 3BZ 0.8578
799 L15 0.8577
800 DEN 0.8576
801 HBX 0.8574
802 Q02 0.8570
803 I2E 0.8569
804 V55 0.8569
805 3QM 0.8569
806 1MC 0.8568
807 HHS 0.8566
808 PPT 0.8564
809 Z5P 0.8563
810 CLZ 0.8562
811 ABN 0.8561
812 F0J 0.8559
813 HNT 0.8559
814 SWX 0.8554
815 IND 0.8554
816 JAH 0.8553
817 0RW 0.8553
818 BCP 0.8550
819 GAF 0.8550
820 GUN 0.8546
821 KT7 0.8545
822 PRO 0.8543
823 NDG 0.8541
824 RIB 0.8539
825 PRY 0.8538
826 GRE 0.8533
827 3SL 0.8524
828 P4B 0.8516
829 GXL 0.8515
830 BBK 0.8508
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YEJ; Ligand: PNF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1yej.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
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