Receptor
PDB id Resolution Class Description Source Keywords
4YHY 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF 309M3-B IN COMPLEX WITH TRIMETHYLATED L HOMO SAPIENS ANTIBODY FAB TRIMETHYLATED LYS IMMUNE SYSTEM
Ref.: ANTIGEN CLASPING BY TWO ANTIGEN-BINDING SITES OF AN EXCEPTIONALLY SPECIFIC ANTIBODY FOR HISTONE METHYLA PROC.NATL.ACAD.SCI.USA V. 113 2092 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M3L B:301;
H:301;
Valid;
Valid;
none;
none;
submit data
189.275 C9 H21 N2 O2 C[N+]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YHY 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF 309M3-B IN COMPLEX WITH TRIMETHYLATED L HOMO SAPIENS ANTIBODY FAB TRIMETHYLATED LYS IMMUNE SYSTEM
Ref.: ANTIGEN CLASPING BY TWO ANTIGEN-BINDING SITES OF AN EXCEPTIONALLY SPECIFIC ANTIBODY FOR HISTONE METHYLA PROC.NATL.ACAD.SCI.USA V. 113 2092 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
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: M3L; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 M3L 1 1
2 MLZ 0.552632 0.744186
3 LYS 0.527778 0.604651
4 MLY 0.512821 0.880952
5 MSE 0.421053 0.613636
Similar Ligands (3D)
Ligand no: 1; Ligand: M3L; Similar ligands found: 189
No: Ligand Similarity coefficient
1 NPI 0.9598
2 CIR 0.9583
3 ARG 0.9547
4 1PS 0.9494
5 DHH 0.9481
6 ABH 0.9458
7 GGB 0.9446
8 6HN 0.9439
9 DAR 0.9422
10 IAR 0.9417
11 ILO 0.9402
12 S2C 0.9386
13 TZP 0.9362
14 EXY 0.9340
15 RGP 0.9318
16 4JK 0.9300
17 WT2 0.9300
18 HAR 0.9279
19 ZZU 0.9260
20 NMM 0.9249
21 26P 0.9248
22 ENW 0.9248
23 LXP 0.9235
24 VUR 0.9214
25 5AB 0.9198
26 4DI 0.9197
27 Z70 0.9193
28 API 0.9190
29 9J6 0.9185
30 NOT 0.9183
31 AHL 0.9157
32 XRX 0.9141
33 IJ6 0.9132
34 6CL 0.9132
35 R10 0.9132
36 PML 0.9131
37 KPC 0.9130
38 PA5 0.9127
39 FB6 0.9127
40 3CX 0.9083
41 HPO 0.9081
42 5OY 0.9067
43 2NP 0.9055
44 F98 0.9049
45 NFZ 0.9047
46 2JJ 0.9046
47 4TP 0.9044
48 KAP 0.9042
49 ENV 0.9037
50 MF3 0.9029
51 A5P 0.9026
52 JX7 0.9023
53 2FM 0.9021
54 TEG 0.9013
55 2OR 0.9010
56 RED 0.9004
57 LPA 0.9002
58 1OV 0.8996
59 GVA 0.8996
60 DA2 0.8990
61 DEZ 0.8988
62 DXP 0.8983
63 S6P 0.8979
64 3KJ 0.8975
65 1HS 0.8967
66 XI7 0.8963
67 IPE 0.8957
68 FOM 0.8956
69 GHQ 0.8953
70 PAN 0.8945
71 PMV 0.8944
72 P3S 0.8943
73 NNH 0.8940
74 XRS 0.8940
75 DNN 0.8927
76 DA3 0.8921
77 HSA 0.8920
78 HE8 0.8912
79 E4P 0.8904
80 HRG 0.8903
81 R52 0.8901
82 R5P 0.8901
83 6FG 0.8899
84 8AC 0.8892
85 ALY 0.8891
86 19N 0.8890
87 GGG 0.8890
88 ATX 0.8888
89 D53 0.8883
90 6C9 0.8878
91 SB7 0.8874
92 OCA 0.8872
93 6C5 0.8869
94 KNA 0.8869
95 CLT 0.8869
96 DKA 0.8869
97 011 0.8869
98 6C4 0.8861
99 5KJ 0.8859
100 LUQ 0.8858
101 DMA 0.8848
102 N8C 0.8847
103 I58 0.8841
104 6PG 0.8839
105 EIP 0.8836
106 LL2 0.8835
107 F6R 0.8834
108 58X 0.8828
109 FXY 0.8827
110 11X 0.8827
111 9YT 0.8826
112 QFJ 0.8825
113 OJD 0.8822
114 IPR 0.8819
115 P93 0.8819
116 UN1 0.8818
117 2MR 0.8816
118 M6R 0.8813
119 5TO 0.8812
120 AGP 0.8810
121 6C8 0.8809
122 DHM 0.8807
123 G6Q 0.8802
124 BCH 0.8800
125 OOG 0.8797
126 DX5 0.8794
127 37E 0.8791
128 RES 0.8782
129 S0A 0.8776
130 2J3 0.8775
131 AOY 0.8774
132 5SP 0.8772
133 DST 0.8771
134 4FE 0.8770
135 5RP 0.8768
136 JM2 0.8760
137 7XA 0.8760
138 DIA 0.8751
139 GRQ 0.8751
140 L06 0.8748
141 1X4 0.8744
142 STV 0.8739
143 Q06 0.8739
144 KPA 0.8737
145 TX4 0.8734
146 KPV 0.8733
147 JF5 0.8732
148 5PV 0.8728
149 4TB 0.8727
150 1KJ 0.8727
151 DED 0.8725
152 9GB 0.8719
153 G6P 0.8715
154 SPD 0.8715
155 4U7 0.8714
156 5DL 0.8713
157 3GC 0.8712
158 6MW 0.8711
159 S7D 0.8710
160 VGS 0.8703
161 0L1 0.8697
162 PRO GLY 0.8697
163 SLZ 0.8696
164 5LD 0.8692
165 11C 0.8681
166 DER 0.8674
167 F6P 0.8669
168 AHN 0.8668
169 M5P 0.8667
170 3VQ 0.8660
171 OKP 0.8656
172 STX 0.8655
173 I2E 0.8653
174 IJ1 0.8653
175 LX1 0.8629
176 A51 0.8627
177 C82 0.8626
178 HLP 0.8626
179 64Z 0.8625
180 D9Z 0.8619
181 VFM 0.8614
182 JKK 0.8611
183 SB9 0.8607
184 DI9 0.8601
185 JGY 0.8588
186 GLY GLY GLY 0.8566
187 BVS 0.8562
188 DZA 0.8538
189 PNP 0.8514
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YHY; Ligand: M3L; 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: 4yhy.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4YHY; Ligand: M3L; 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: 4yhy.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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