Receptor
PDB id Resolution Class Description Source Keywords
5VH4 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FAB FRAGMENT OF ANTI-TNFA ANTIBODY INFL AN I-CENTERED ORTHORHOMBIC CRYSTAL FORM MUS MUSCULUS, HOMO SAPIENS ANTIBODY FAB BIOSIMILAR INFLIXIMAB TNFA ANTI-TNFA IMMU
Ref.: INFLIXIMAB CRYSTAL STRUCTURES REVEAL INSIGHTS INTO SELF-ASSOCIATION. MABS V. 9 874 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:301;
H:301;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
EDO B:301;
H:303;
L:301;
H:302;
A:302;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5VH4 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FAB FRAGMENT OF ANTI-TNFA ANTIBODY INFL AN I-CENTERED ORTHORHOMBIC CRYSTAL FORM MUS MUSCULUS, HOMO SAPIENS ANTIBODY FAB BIOSIMILAR INFLIXIMAB TNFA ANTI-TNFA IMMU
Ref.: INFLIXIMAB CRYSTAL STRUCTURES REVEAL INSIGHTS INTO SELF-ASSOCIATION. MABS V. 9 874 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (233)
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 - C24 C27 H29 N7 O3 CCOC(=O)CC....
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 KDD KDA n/a n/a
58 3OKK - KDA KDO n/a n/a
59 3OKE - KO2 C11 H18 O9 C=CCO[C@@]....
60 3OKN - KDO KDO KDA n/a n/a
61 3HZM Kd = 0.00000145 M KDO C8 H14 O8 C1[C@H]([C....
62 2R23 Kd = 190 uM KO1 KDA n/a n/a
63 1Q9W - KDO KDO KDO n/a n/a
64 3T65 - KDA KDO n/a n/a
65 2R1W Kd = 25 uM KDB KDA 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 = 10 uM KDA KDO KDO n/a n/a
72 3HZK Kd = 30 uM KDA KDO n/a n/a
73 2R2H - KO2 C11 H18 O9 C=CCO[C@@]....
74 3BPC Kd = 16 uM KDB KDA n/a n/a
75 4HGW Kd = 0.00000145 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 - SIA GAL NGA GLA GAL BGC n/a n/a
92 6UG8 - SIA GAL NGA GLA GAL BGC 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 = 0.00000145 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 FUC GAL NDG FUC n/a n/a
105 3EYV - FUC GAL NDG FUC n/a n/a
106 5I8C - ALA VAL GLY ILE GLY ALA VAL PHE LEU n/a n/a
107 2AJX - TGN C16 H22 N O5 P C[N@]1[C@H....
108 2AJZ - ECG C10 H17 N O3 C[N@]1[C@H....
109 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
110 2AJV - COC C17 H21 N O4 C[N@]1[C@H....
111 2AJY - ECG C10 H17 N O3 C[N@]1[C@H....
112 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
113 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
114 6DZN - AE3 C6 H14 O3 CCOCCOCCO
115 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCO[C@@]....
116 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
117 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
118 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
119 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
120 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
121 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
122 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
123 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
124 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
125 4OCX Kd = 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
126 4S1D - 41M C16 H29 N5 O3 S C1[C@H]2[C....
127 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
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 6MQC - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
137 1JGL Kd = 2 nM EST C18 H24 O2 C[C@]12CC[....
138 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCC[C@H](....
139 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCO[C@....
140 2Z92 Kd = 66.7 nM ENE C22 H30 O8 C1C=CCO[C@....
141 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
142 5EOQ - LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU n/a n/a
143 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
144 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
145 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
146 6EV2 - BGC C6 H12 O6 C([C@@H]1[....
147 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
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 6C5J Kd = 68.5 nM GP1 Z9M KDO KDO KDO n/a n/a
153 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
154 6C5H Kd = 370 nM GP1 Z9M KDO KDO KDO n/a n/a
155 5T78 Kd = 43 nM NGA ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
156 5T6P Kd = 880 nM ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
157 4TUO - SIA GAL SIA GLC NGA n/a n/a
158 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
159 1MFB - GLA MAN RAM RAM ABE MAN GLA n/a n/a
160 1MFD Kd = 4.9 uM GLA MMA ABE n/a n/a
161 1MFC - GLA MAN RAM ABE n/a n/a
162 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
163 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
164 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
165 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
166 3C6S - RAM RAM RAM GLC NAG RAM RAM RAM GLC NAG RAM n/a n/a
167 6DWI - HD4 C13 H26 N O13 P CC(=O)N[C@....
168 1M7D Ka = 1700000 M^-1 RAM RAE MAG n/a n/a
169 1M7I Ka = 250000 M^-1 RAM RAM RAM NAG RAO n/a n/a
170 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
171 5TKK - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
172 1XF2 - DT DT DT n/a n/a
173 6MQE - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
174 6DF1 - LEU PTR LEU n/a n/a
175 6DZR - FLC C6 H5 O7 C(C(=O)[O-....
176 5ALB - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
177 5ALC - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
178 1NGP - NPA C8 H7 N O5 c1cc(c(cc1....
179 4ODV - GP1 Z9M n/a n/a
180 1KEG - DT 64T DT DT n/a n/a
181 1EHL - 5HT DT n/a n/a
182 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)[C....
183 1CLY - FUC GAL NAG NON FUC n/a n/a
184 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
185 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
186 6DW2 - HD4 C13 H26 N O13 P CC(=O)N[C@....
187 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
188 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
189 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
190 5DYO - FLU C20 H12 O5 c1ccc(c(c1....
191 4UIN Kd = 24 nM QI9 C20 H24 N2 O2 COc1ccc2c(....
192 3V0W Kd = 32 nM PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO n/a n/a
193 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
194 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
195 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
196 1YNK - SC5 C18 H26 N4 O2 C[C@H](c1c....
197 1I7Z Kd = 0.4 uM COC C17 H21 N O4 C[N@]1[C@H....
198 2O5Z Kd = 110 mM ANO C19 H28 O2 C[C@]12CCC....
199 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
200 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
201 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
202 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
203 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
204 1IND Ka = 11000000000 M^-1 EOT C20 H28 N4 O9 S c1cc(ccc1C....
205 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
206 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
207 1UM5 - SS1 C8 H10 O C[C@@H](c1....
208 1UM4 - SH4 C17 H19 N O4 P C[C@@H](c1....
209 1VPO Kd = 0.00000145 M TES C19 H28 O2 C[C@]12CC[....
210 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
211 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
212 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
213 1Q0Y Kd ~ 1 nM MOI C17 H19 N O3 C[N@]1CC[C....
214 6CDO - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
215 6IDG Kd = 0.00000145 M 64T 5PY n/a n/a
216 4YHK ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
217 4YHM ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
218 4YHO ic50 = 2.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
219 4YHI ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
220 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
221 1IGJ Kd = 0.1 nM DGX C41 H64 O14 C[C@@H]1[C....
222 1UZ8 Kd = 10.75 uM MAG FUC GAL n/a n/a
223 4ODT - GP1 Z9M n/a n/a
224 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
225 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
226 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
227 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
228 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
229 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
230 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
231 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
232 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
233 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
50% Homology Family (249)
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 GLA MMA 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 - C24 C27 H29 N7 O3 CCOC(=O)CC....
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 KDD KDA n/a n/a
60 3OKK - KDA KDO n/a n/a
61 3OKE - KO2 C11 H18 O9 C=CCO[C@@]....
62 3OKN - KDO KDO KDA n/a n/a
63 3HZM Kd = 0.00000145 M KDO C8 H14 O8 C1[C@H]([C....
64 2R23 Kd = 190 uM KO1 KDA n/a n/a
65 1Q9W - KDO KDO KDO n/a n/a
66 3T65 - KDA KDO n/a n/a
67 2R1W Kd = 25 uM KDB KDA 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 = 10 uM KDA KDO KDO n/a n/a
74 3HZK Kd = 30 uM KDA KDO n/a n/a
75 2R2H - KO2 C11 H18 O9 C=CCO[C@@]....
76 3BPC Kd = 16 uM KDB KDA n/a n/a
77 4HGW Kd = 0.00000145 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 - SIA GAL NGA GLA GAL BGC n/a n/a
94 6UG8 - SIA GAL NGA GLA GAL BGC 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 = 0.00000145 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 FUC GAL NDG FUC n/a n/a
108 3EYV - FUC GAL NDG FUC n/a n/a
109 5I8C - ALA VAL GLY ILE GLY ALA VAL PHE LEU n/a n/a
110 2AJX - TGN C16 H22 N O5 P C[N@]1[C@H....
111 2AJZ - ECG C10 H17 N O3 C[N@]1[C@H....
112 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
113 2AJV - COC C17 H21 N O4 C[N@]1[C@H....
114 2AJY - ECG C10 H17 N O3 C[N@]1[C@H....
115 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
116 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
117 6DZN - AE3 C6 H14 O3 CCOCCOCCO
118 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCO[C@@]....
119 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
120 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
121 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
122 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
123 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
124 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
125 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
126 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
127 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
128 4OCX Kd = 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
129 4S1D - 41M C16 H29 N5 O3 S C1[C@H]2[C....
130 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
131 5EOR - ASP VAL GLN THR GLY ARG ARG PRO TYR GLU n/a n/a
132 5JOP - GAL BGC NAG GAL n/a n/a
133 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
134 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
135 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
136 1JGU - HBC C20 H21 N O c1ccc(cc1)....
137 2DDQ - HRB C17 H27 N3 O5 CCCCC[C@@H....
138 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
139 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
140 6MQC - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
141 1JGL Kd = 2 nM EST C18 H24 O2 C[C@]12CC[....
142 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCC[C@H](....
143 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCO[C@....
144 2Z92 Kd = 66.7 nM ENE C22 H30 O8 C1C=CCO[C@....
145 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
146 5EOQ - LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU n/a n/a
147 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
148 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
149 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
150 6EV2 - BGC C6 H12 O6 C([C@@H]1[....
151 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
152 3TV3 - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
153 3TWC - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
154 6B3D - MAN MAN MAN MAN MAN MAN MAN n/a n/a
155 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
156 1EAP - HEP C15 H22 N O6 P CCCC[C@H](....
157 6C5J Kd = 68.5 nM GP1 Z9M KDO KDO KDO n/a n/a
158 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
159 6C5H Kd = 370 nM GP1 Z9M KDO KDO KDO n/a n/a
160 5T78 Kd = 43 nM NGA ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
161 5T6P Kd = 880 nM ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
162 4TUO - SIA GAL SIA GLC NGA n/a n/a
163 1DL7 Kd = 0.32 uM NCH C11 H18 N2 O6 P C[N+](C)(C....
164 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
165 1MFE - GLA MAN ABE n/a n/a
166 1MFB - GLA MAN RAM RAM ABE MAN GLA n/a n/a
167 1MFD Kd = 4.9 uM GLA MMA ABE n/a n/a
168 1MFC - GLA MAN RAM ABE n/a n/a
169 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
170 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
171 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
172 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
173 3C6S - RAM RAM RAM GLC NAG RAM RAM RAM GLC NAG RAM n/a n/a
174 6DWI - HD4 C13 H26 N O13 P CC(=O)N[C@....
175 1M7D Ka = 1700000 M^-1 RAM RAE MAG n/a n/a
176 1M7I Ka = 250000 M^-1 RAM RAM RAM NAG RAO n/a n/a
177 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
178 5TKK - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
179 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
180 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
181 1OAU Kd = 20 nM DNF SER n/a n/a
182 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
183 1XF2 - DT DT DT n/a n/a
184 2OMN - IPH C6 H6 O c1ccc(cc1)....
185 2YKL - NLD C17 H25 N3 O3 CCNC(=O)CC....
186 2YK1 Kd = 7.4 nM NCT C10 H14 N2 C[N@@]1CCC....
187 6MQE - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
188 6DF1 - LEU PTR LEU n/a n/a
189 6DZR - FLC C6 H5 O7 C(C(=O)[O-....
190 5ALB - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
191 5ALC - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
192 1NGP - NPA C8 H7 N O5 c1cc(c(cc1....
193 4ODV - GP1 Z9M n/a n/a
194 1KEG - DT 64T DT DT n/a n/a
195 1EHL - 5HT DT n/a n/a
196 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)[C....
197 1CLY - FUC GAL NAG NON FUC n/a n/a
198 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
199 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
200 6DW2 - HD4 C13 H26 N O13 P CC(=O)N[C@....
201 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
202 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
203 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
204 5DYO - FLU C20 H12 O5 c1ccc(c(c1....
205 4UIN Kd = 24 nM QI9 C20 H24 N2 O2 COc1ccc2c(....
206 3V0W Kd = 32 nM PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO n/a n/a
207 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
208 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
209 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
210 1YNK - SC5 C18 H26 N4 O2 C[C@H](c1c....
211 1I7Z Kd = 0.4 uM COC C17 H21 N O4 C[N@]1[C@H....
212 2O5Z Kd = 110 mM ANO C19 H28 O2 C[C@]12CCC....
213 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
214 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
215 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
216 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
217 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
218 1IND Ka = 11000000000 M^-1 EOT C20 H28 N4 O9 S c1cc(ccc1C....
219 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
220 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
221 1UM5 - SS1 C8 H10 O C[C@@H](c1....
222 1UM4 - SH4 C17 H19 N O4 P C[C@@H](c1....
223 1VPO Kd = 0.00000145 M TES C19 H28 O2 C[C@]12CC[....
224 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
225 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
226 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
227 1Q0Y Kd ~ 1 nM MOI C17 H19 N O3 C[N@]1CC[C....
228 6CDO - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
229 6IDG Kd = 0.00000145 M 64T 5PY n/a n/a
230 4YHK ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
231 4YHM ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
232 4YHO ic50 = 2.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
233 4YHI ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
234 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
235 1IGJ Kd = 0.1 nM DGX C41 H64 O14 C[C@@H]1[C....
236 1UZ8 Kd = 10.75 uM MAG FUC GAL n/a n/a
237 4ODT - GP1 Z9M n/a n/a
238 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
239 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
240 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
241 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
242 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
243 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
244 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
245 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
246 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
247 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
248 6BE4 - NAG NAG NAG NAG NAG n/a n/a
249 6BE3 - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 244
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 ADP MG 0.584906 0.957747
22 A2D 0.576923 0.958333
23 ADP 0.575472 0.931507
24 NGD 0.574803 0.922078
25 BA3 0.566038 0.958333
26 M33 0.564815 0.918919
27 ADP PO3 0.563636 0.957747
28 ATP MG 0.563636 0.957747
29 AP5 0.560748 0.958333
30 B4P 0.560748 0.958333
31 AT4 0.555556 0.894737
32 AN2 0.555556 0.918919
33 GAP 0.553571 0.932432
34 OOB 0.551724 0.972222
35 CA0 0.550459 0.932432
36 9JJ 0.546053 0.898734
37 ACP 0.545455 0.906667
38 HEJ 0.545455 0.931507
39 KG4 0.545455 0.932432
40 ATP 0.545455 0.931507
41 DQV 0.544 0.972222
42 ALF ADP 0.54386 0.883117
43 ADP ALF 0.54386 0.883117
44 DAL AMP 0.543103 0.945205
45 8LQ 0.543103 0.92
46 AQP 0.540541 0.931507
47 AR6 0.540541 0.931507
48 5FA 0.540541 0.931507
49 APR 0.540541 0.931507
50 VO4 ADP 0.53913 0.945205
51 ADP VO4 0.53913 0.945205
52 AGS 0.535714 0.883117
53 AD9 0.535714 0.906667
54 SAP 0.535714 0.883117
55 WAQ 0.533333 0.896104
56 ABM 0.53271 0.905405
57 45A 0.53271 0.905405
58 00A 0.529412 0.921053
59 DLL 0.529412 0.972222
60 ACQ 0.526316 0.906667
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 OAD 0.525 0.932432
64 ADX 0.522523 0.839506
65 8LE 0.521739 0.907895
66 5AL 0.521739 0.945205
67 A1R 0.521008 0.871795
68 9SN 0.520325 0.909091
69 AMP 0.518868 0.930556
70 A 0.518868 0.930556
71 50T 0.517857 0.893333
72 ATF 0.517241 0.894737
73 3OD 0.516393 0.932432
74 1ZZ 0.516393 0.851852
75 SON 0.513514 0.92
76 PRX 0.513274 0.881579
77 SRP 0.512821 0.92
78 8LH 0.512821 0.92
79 6YZ 0.512821 0.906667
80 ADP BMA 0.512397 0.932432
81 9X8 0.512397 0.883117
82 3UK 0.512397 0.958904
83 MYR AMP 0.512195 0.851852
84 NAJ PZO 0.510949 0.909091
85 NMN 0.509434 0.875
86 HQG 0.508475 0.918919
87 A3R 0.508333 0.871795
88 B5V 0.508197 0.945946
89 AMP DBH 0.507937 0.906667
90 A22 0.504202 0.945205
91 ATP A A A 0.504 0.971831
92 B5M 0.504 0.933333
93 FA5 0.504 0.945946
94 ATP A 0.504 0.971831
95 8QN 0.5 0.945205
96 NAX 0.496183 0.886076
97 TYR AMP 0.496063 0.933333
98 PR8 0.495935 0.8625
99 ADQ 0.495868 0.932432
100 PAJ 0.495868 0.873418
101 4AD 0.495868 0.933333
102 AMO 0.495868 0.92
103 APC MG 0.495652 0.931507
104 AP2 0.495495 0.894737
105 A12 0.495495 0.894737
106 AHZ 0.492308 0.851852
107 YAP 0.492063 0.933333
108 FYA 0.491935 0.918919
109 AHX 0.491803 0.884615
110 4UU 0.488372 0.933333
111 5SV 0.487603 0.8375
112 T99 0.487179 0.894737
113 TAT 0.487179 0.894737
114 APC 0.486957 0.894737
115 SRA 0.486239 0.881579
116 NAI 0.484848 0.921053
117 6V0 0.484848 0.909091
118 GTA 0.484615 0.898734
119 LAD 0.483871 0.873418
120 A A 0.483871 0.958333
121 AU1 0.482456 0.906667
122 F2R 0.481752 0.831325
123 TXE 0.481203 0.921053
124 AF3 ADP 3PG 0.481203 0.873418
125 OMR 0.481203 0.841463
126 LAQ 0.480916 0.851852
127 G3A 0.48062 0.909091
128 B5Y 0.480315 0.933333
129 TXA 0.48 0.92
130 BIS 0.48 0.871795
131 NB8 0.48 0.884615
132 ME8 0.48 0.851852
133 PTJ 0.48 0.884615
134 139 0.477941 0.886076
135 LPA AMP 0.477273 0.851852
136 ARG AMP 0.476923 0.841463
137 AR6 AR6 0.476923 0.958333
138 G5P 0.476923 0.909091
139 AFH 0.476923 0.873418
140 25L 0.47619 0.945205
141 NAJ PYZ 0.475524 0.864198
142 25A 0.47541 0.958333
143 9ZA 0.47541 0.896104
144 9ZD 0.47541 0.896104
145 OZV 0.47541 0.931507
146 DZD 0.47482 0.897436
147 TXD 0.473684 0.921053
148 4UV 0.472868 0.933333
149 TYM 0.470149 0.945946
150 ADV 0.470085 0.894737
151 RBY 0.470085 0.894737
152 4TA 0.467626 0.864198
153 48N 0.466165 0.884615
154 XAH 0.465116 0.851852
155 4UW 0.462687 0.897436
156 M24 0.461538 0.886076
157 80F 0.460993 0.853659
158 IOT 0.459854 0.821429
159 T5A 0.456522 0.853659
160 EAD 0.455782 0.886076
161 MAP 0.455285 0.883117
162 GA7 0.454545 0.894737
163 BT5 0.453901 0.821429
164 A4P 0.452555 0.833333
165 UP5 0.451852 0.933333
166 PAP 0.445378 0.917808
167 4TC 0.445255 0.909091
168 AP0 0.445255 0.884615
169 YLP 0.444444 0.831325
170 P1H 0.443709 0.864198
171 AOC 0.442478 0.810811
172 Z5A 0.439189 0.833333
173 LMS 0.4375 0.817073
174 2A5 0.436975 0.857143
175 A G 0.43662 0.921053
176 COD 0.43662 0.802326
177 G A A A 0.43662 0.909091
178 ADJ 0.435714 0.841463
179 YLB 0.434783 0.831325
180 YLC 0.434783 0.851852
181 U A G G 0.433566 0.921053
182 ATR 0.433333 0.90411
183 7MD 0.432836 0.851852
184 8X1 0.432 0.764045
185 G5A 0.429752 0.790698
186 PO4 PO4 A A A A PO4 0.429688 0.943662
187 TAD 0.42963 0.873418
188 5AS 0.42735 0.770115
189 BTX 0.426573 0.831325
190 YLA 0.425532 0.831325
191 DSZ 0.425197 0.790698
192 NCN 0.424779 0.805556
193 UPA 0.42446 0.921053
194 8PZ 0.424242 0.811765
195 VMS 0.424 0.8
196 54H 0.424 0.8
197 9K8 0.423077 0.744444
198 N0B 0.422819 0.853659
199 6AD 0.422764 0.85
200 AYB 0.422535 0.821429
201 7D3 0.422414 0.844156
202 YLY 0.421769 0.821429
203 TSB 0.420635 0.809524
204 ODP 0.41958 0.922078
205 AV2 0.419355 0.855263
206 A5A 0.419355 0.819277
207 FB0 0.419355 0.775281
208 NNR 0.419048 0.739726
209 A A A 0.418605 0.918919
210 U A 0.417808 0.946667
211 649 0.417266 0.775281
212 NMN AMP PO4 0.416667 0.933333
213 H1Q 0.416667 0.917808
214 SSA 0.416 0.790698
215 P5A 0.415385 0.755556
216 LSS 0.414062 0.772727
217 A2R 0.412698 0.918919
218 52H 0.412698 0.790698
219 JB6 0.412214 0.896104
220 5N5 0.411215 0.783784
221 YSA 0.410448 0.811765
222 B1U 0.410448 0.786517
223 53H 0.409449 0.790698
224 5CA 0.409449 0.790698
225 ITT 0.408333 0.878378
226 7D4 0.408333 0.844156
227 NA7 0.407692 0.894737
228 LEU LMS 0.407692 0.784091
229 5CD 0.407407 0.794521
230 0WD 0.406897 0.909091
231 A3P 0.40678 0.930556
232 JSQ 0.406504 0.883117
233 HFD 0.406504 0.883117
234 AVV 0.40625 0.860759
235 RAB 0.40566 0.808219
236 ADN 0.40566 0.808219
237 XYA 0.40566 0.808219
238 FDA 0.405063 0.823529
239 GSU 0.40458 0.790698
240 7MC 0.404255 0.831325
241 NSS 0.403101 0.811765
242 6FA 0.402516 0.853659
243 NVA LMS 0.4 0.784091
244 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5VH4; Ligand: NAD; 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: 5vh4.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5VH4; Ligand: NAD; 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: 5vh4.bio2) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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