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 1443 families.
1 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (222)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 3HNT - AXR BXY BXY BXX n/a n/a
2 3HNV - AXR BXY BXY BXX n/a n/a
3 3HNS - AXR BXY BXY BXY BXX BXX n/a n/a
4 3QG6 ic50 = 0.73 nM TYR SER THR CYS TYR PHE ILE MET n/a n/a
5 3IF1 - NGA C8 H15 N O6 CC(=O)N[C@....
6 3IET Kd = 0.14 uM GLY THR LYS PRO PRO LEU GLU GLU LEU A2G n/a n/a
7 3PHQ - KDO C8 H14 O8 C1[C@H]([C....
8 2HRP - MET SER LEU PRO GLY ARG TRP LYS PRO LYS n/a n/a
9 5NBW - 8SK C20 H12 O c1ccc2c(c1....
10 6MSY - MAN MAN MAN MAN n/a n/a
11 3OAU - MAN MAN n/a n/a
12 6N35 - MAN C6 H12 O6 C([C@@H]1[....
13 6MUB - BMA MAN MAN MAN MAN n/a n/a
14 6MU3 - BMA MAN MAN MAN n/a n/a
15 3OAZ - 2M5 C8 H16 O6 C[C@@H]([C....
16 4RBP - KDO MAN MAN MAN MAN MAN n/a n/a
17 3OAY - BDF C6 H12 O6 C1[C@H]([C....
18 4OJF - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
19 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
20 5D6C - 57S C13 H26 N O13 P CC(=O)N[C@....
21 6DWA - HD4 C13 H26 N O13 P CC(=O)N[C@....
22 2BMK Kd = 2.4 uM PDD C11 H17 N2 O7 P Cc1c(c(c(c....
23 1WC7 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
24 1WCB Kd = 26 nM PE1 C14 H24 N3 O7 P Cc1c(c(c(c....
25 1MJ7 Kd = 4.5 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
26 1MH5 Kd = 0.61 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
27 3I9G Kd = 1.1 nM S1P C18 H38 N O5 P CCCCCCCCCC....
28 1AJ7 Kd = 135 uM NPE C11 H13 N O7 P c1cc(ccc1[....
29 1GAF Kd = 10 nM NPE C11 H13 N O7 P c1cc(ccc1[....
30 3CFD - SPB C19 H19 N O3 c1ccc(cc1)....
31 4JN2 - C24 C27 H29 N7 O3 CCOC(=O)CC....
32 1U8M - GLU LEU ASP LYS TYR ALA SER n/a n/a
33 3IDG - ALA LEU ASP LYS TRP ASP n/a n/a
34 1TJG - GLU LEU ASP LYS TRP ALA SER n/a n/a
35 1U93 - GLU GLN ASP LYS TRP ALA SER n/a n/a
36 1U8H - ALA LEU ASP LYS TRP ALA SER n/a n/a
37 1U8Q - GLU LEU GLU LYS TRP ALA SER n/a n/a
38 3IDJ - GLU LEU ASP ORN TRP ALA SER n/a n/a
39 2F5B - GLU LEU ASP LYS TRP ALA SER n/a n/a
40 1U92 - GLU ALA ASP LYS TRP GLN SER n/a n/a
41 1U8I - GLU LEU ASP LYS TRP ALA ASN n/a n/a
42 1U95 - GLU LEU ASP HIS TRP ALA SER n/a n/a
43 1U8J - GLU LEU ASP LYS TRP ALA GLY n/a n/a
44 3IDI - ALA LEU ASP LYS TRP GLN ASN n/a n/a
45 3IDN - GLU LEU ASP HOX TRP ALA SER n/a n/a
46 1U91 - GLU ASN ASP LYS TRP ALA SER n/a n/a
47 3IDM - GLU LEU ASP NRG TRP ALA SER n/a n/a
48 1U8K - LEU GLU LEU ASP LYS TRP ALA SER LEU n/a n/a
49 2C1P - FNZ C18 H15 F N4 O c1cc(ccc1C....
50 2R2E - KDE C11 H18 O8 C=CCO[C@@]....
51 3SY0 - KDA KDO KDO n/a n/a
52 3OKL - KDA KDO n/a n/a
53 2R1Y Kd = 31 uM KDR KDO n/a n/a
54 2R2B - KDA KDO KDO n/a n/a
55 2G5B - PRO THR SER SER GLU GLN ILE n/a n/a
56 2R1X Kd = 16 uM KDD KDA n/a n/a
57 3OKK - KDA KDO n/a n/a
58 3OKE - KO2 C11 H18 O9 C=CCO[C@@]....
59 3OKN - KDO KDO KDA n/a n/a
60 3HZM Kd = 0.00000145 M KDO C8 H14 O8 C1[C@H]([C....
61 2R23 Kd = 190 uM KO1 KDA n/a n/a
62 1Q9W - KDO KDO KDO n/a n/a
63 3T65 - KDA KDO n/a n/a
64 2R1W Kd = 25 uM KDB KDA n/a n/a
65 3OKO - KDA KDO KDO n/a n/a
66 3HZV - KDA KDO KDO n/a n/a
67 3T4Y - KDO C8 H14 O8 C1[C@H]([C....
68 3OKD - KDO C8 H14 O8 C1[C@H]([C....
69 3T77 - KDA KDO n/a n/a
70 3HZY Kd = 10 uM KDA KDO KDO n/a n/a
71 3HZK Kd = 30 uM KDA KDO n/a n/a
72 2R2H - KO2 C11 H18 O9 C=CCO[C@@]....
73 3BPC Kd = 16 uM KDB KDA n/a n/a
74 4HGW Kd = 0.00000145 M KTU KDO n/a n/a
75 5XQW Kd = 1.6 nM 8EU C9 H12 N O5 P CCP(=O)(O)....
76 5TKJ - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
77 6CDP - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
78 6CDM - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
79 1Y0L Kd ~ 1 nM HAN C14 H19 N3 O2 Cc1cc2c(cc....
80 1E4W Kd = 25 nM SER HIS PHE ASN GLU TYR GLU n/a n/a
81 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
82 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
83 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
84 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
85 1F3D - TPM C12 H18 N3 c1cc(ccc1C....
86 2OK0 Kd = 0.2 nM DT DC n/a n/a
87 1MRF - DI C10 H13 N4 O7 P c1nc2c(n1[....
88 1MRD - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
89 1MRE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
90 5MY4 - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
91 3FO0 - BZH C12 H14 N4 O3 c1cc2c(cc1....
92 3FO2 - BZH C12 H14 N4 O3 c1cc2c(cc1....
93 3FO1 - BZH C12 H14 N4 O3 c1cc2c(cc1....
94 5MYO - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
95 1QYG - BCG C16 H19 N O4 C[N@]1[C@H....
96 1RIV - OBE C16 H19 N O5 C[N@H+]1[C....
97 1Q72 Kd = 0.00000145 M COC C17 H21 N O4 C[N@]1[C@H....
98 1RIU - RBE C15 H17 N O4 c1ccc(cc1)....
99 3FN0 Kd ~ 40 uM TRP ASN TRP PHE ASP ILE THR ASN LYS n/a n/a
100 1S3K Kd = 0.24 uM FUC GAL NDG FUC n/a n/a
101 3EYV - FUC GAL NDG FUC n/a n/a
102 5I8C - ALA VAL GLY ILE GLY ALA VAL PHE LEU n/a n/a
103 2AJX - TGN C16 H22 N O5 P C[N@]1[C@H....
104 2AJZ - ECG C10 H17 N O3 C[N@]1[C@H....
105 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
106 2AJV - COC C17 H21 N O4 C[N@]1[C@H....
107 2AJY - ECG C10 H17 N O3 C[N@]1[C@H....
108 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
109 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
110 6DZN - AE3 C6 H14 O3 CCOCCOCCO
111 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCO[C@@]....
112 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
113 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
114 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
115 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
116 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
117 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
118 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
119 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
120 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
121 4OCX Kd = 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
122 4S1D - 41M C16 H29 N5 O3 S C1[C@H]2[C....
123 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
124 5JOP - GAL BGC NAG GAL n/a n/a
125 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
126 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
127 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
128 1JGU - HBC C20 H21 N O c1ccc(cc1)....
129 2DDQ - HRB C17 H27 N3 O5 CCCCC[C@@H....
130 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
131 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
132 1JGL Kd = 2 nM EST C18 H24 O2 C[C@]12CC[....
133 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCC[C@H](....
134 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCO[C@....
135 2Z92 Kd = 66.7 nM ENE C22 H30 O8 C1C=CCO[C@....
136 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
137 5EOQ - LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU n/a n/a
138 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
139 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
140 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
141 6EV2 - BGC C6 H12 O6 C([C@@H]1[....
142 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
143 3TWC - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
144 6B3D - MAN MAN MAN MAN MAN MAN MAN n/a n/a
145 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
146 1EAP - HEP C15 H22 N O6 P CCCC[C@H](....
147 5T78 Kd = 43 nM NGA ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
148 5T6P Kd = 880 nM ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
149 4TUO - SIA GAL SIA GLC NGA n/a n/a
150 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
151 1MFB - GLA MAN RAM RAM ABE MAN GLA n/a n/a
152 1MFD Kd = 4.9 uM GLA MMA ABE n/a n/a
153 1MFC - GLA MAN RAM ABE n/a n/a
154 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
155 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
156 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
157 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
158 3C6S - RAM RAM RAM GLC NAG RAM RAM RAM GLC NAG RAM n/a n/a
159 6DWI - HD4 C13 H26 N O13 P CC(=O)N[C@....
160 1M7D Ka = 1700000 M^-1 RAM RAE MAG n/a n/a
161 1M7I Ka = 250000 M^-1 RAM RAM RAM NAG RAO n/a n/a
162 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
163 5TKK - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
164 1XF2 - DT DT DT n/a n/a
165 6DF1 - LEU PTR LEU n/a n/a
166 5ALB - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
167 5ALC - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
168 1NGP - NPA C8 H7 N O5 c1cc(c(cc1....
169 4ODV - GP1 Z9M n/a n/a
170 1KEG - DT 64T DT DT n/a n/a
171 1EHL - 5HT DT n/a n/a
172 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)[C....
173 1CLY - FUC GAL NAG NON FUC n/a n/a
174 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
175 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
176 6DW2 - HD4 C13 H26 N O13 P CC(=O)N[C@....
177 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
178 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
179 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
180 5DYO - FLU C20 H12 O5 c1ccc(c(c1....
181 4UIN Kd = 24 nM QI9 C20 H24 N2 O2 COc1ccc2c(....
182 3V0W Kd = 32 nM PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO n/a n/a
183 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
184 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
185 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
186 1YNK - SC5 C18 H26 N4 O2 C[C@H](c1c....
187 1I7Z Kd = 0.4 uM COC C17 H21 N O4 C[N@]1[C@H....
188 2O5Z Kd = 110 mM ANO C19 H28 O2 C[C@]12CCC....
189 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
190 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
191 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
192 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
193 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
194 1IND Ka = 11000000000 M^-1 EOT C20 H28 N4 O9 S c1cc(ccc1C....
195 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
196 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
197 1UM5 - SS1 C8 H10 O C[C@@H](c1....
198 1UM4 - SH4 C17 H19 N O4 P C[C@@H](c1....
199 1VPO Kd = 0.00000145 M TES C19 H28 O2 C[C@]12CC[....
200 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
201 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
202 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
203 1Q0Y Kd ~ 1 nM MOI C17 H19 N O3 C[N@]1CC[C....
204 6CDO - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
205 4YHK ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
206 4YHM ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
207 4YHO ic50 = 2.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
208 4YHI ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
209 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
210 1IGJ Kd = 0.1 nM DGX C41 H64 O14 C[C@@H]1[C....
211 1UZ8 Kd = 10.75 uM MAG FUC GAL n/a n/a
212 4ODT - GP1 Z9M n/a n/a
213 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
214 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
215 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
216 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
217 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
218 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
219 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
220 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
221 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
222 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
50% Homology Family (238)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 3HNT - AXR BXY BXY BXX n/a n/a
2 3HNV - AXR BXY BXY BXX n/a n/a
3 3HNS - AXR BXY BXY BXY BXX BXX n/a n/a
4 3QG6 ic50 = 0.73 nM TYR SER THR CYS TYR PHE ILE MET n/a n/a
5 3IF1 - NGA C8 H15 N O6 CC(=O)N[C@....
6 3IET Kd = 0.14 uM GLY THR LYS PRO PRO LEU GLU GLU LEU A2G n/a n/a
7 3PHQ - KDO C8 H14 O8 C1[C@H]([C....
8 2HRP - MET SER LEU PRO GLY ARG TRP LYS PRO LYS n/a n/a
9 5NBW - 8SK C20 H12 O c1ccc2c(c1....
10 6MSY - MAN MAN MAN MAN n/a n/a
11 3OAU - MAN MAN n/a n/a
12 6N35 - MAN C6 H12 O6 C([C@@H]1[....
13 6MUB - BMA MAN MAN MAN MAN n/a n/a
14 6MU3 - BMA MAN MAN MAN n/a n/a
15 3OAZ - 2M5 C8 H16 O6 C[C@@H]([C....
16 4RBP - KDO MAN MAN MAN MAN MAN n/a n/a
17 3OAY - BDF C6 H12 O6 C1[C@H]([C....
18 4OJF - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
19 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
20 5D6C - 57S C13 H26 N O13 P CC(=O)N[C@....
21 6DWA - HD4 C13 H26 N O13 P CC(=O)N[C@....
22 2BMK Kd = 2.4 uM PDD C11 H17 N2 O7 P Cc1c(c(c(c....
23 1WC7 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
24 1WCB Kd = 26 nM PE1 C14 H24 N3 O7 P Cc1c(c(c(c....
25 1MJ7 Kd = 4.5 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
26 1MH5 Kd = 0.61 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
27 1MFA Kd = 9.1 uM GLA MMA ABE n/a n/a
28 3I9G Kd = 1.1 nM S1P C18 H38 N O5 P CCCCCCCCCC....
29 1F4X Kd = 2.6 uM MGS C12 H23 N O7 C[C@@H]1[C....
30 1AJ7 Kd = 135 uM NPE C11 H13 N O7 P c1cc(ccc1[....
31 1GAF Kd = 10 nM NPE C11 H13 N O7 P c1cc(ccc1[....
32 3CFD - SPB C19 H19 N O3 c1ccc(cc1)....
33 4JN2 - C24 C27 H29 N7 O3 CCOC(=O)CC....
34 1U8M - GLU LEU ASP LYS TYR ALA SER n/a n/a
35 3IDG - ALA LEU ASP LYS TRP ASP n/a n/a
36 1TJG - GLU LEU ASP LYS TRP ALA SER n/a n/a
37 1U93 - GLU GLN ASP LYS TRP ALA SER n/a n/a
38 1U8H - ALA LEU ASP LYS TRP ALA SER n/a n/a
39 1U8Q - GLU LEU GLU LYS TRP ALA SER n/a n/a
40 3IDJ - GLU LEU ASP ORN TRP ALA SER n/a n/a
41 2F5B - GLU LEU ASP LYS TRP ALA SER n/a n/a
42 1U92 - GLU ALA ASP LYS TRP GLN SER n/a n/a
43 1U8I - GLU LEU ASP LYS TRP ALA ASN n/a n/a
44 1U95 - GLU LEU ASP HIS TRP ALA SER n/a n/a
45 1U8J - GLU LEU ASP LYS TRP ALA GLY n/a n/a
46 3IDI - ALA LEU ASP LYS TRP GLN ASN n/a n/a
47 3IDN - GLU LEU ASP HOX TRP ALA SER n/a n/a
48 1U91 - GLU ASN ASP LYS TRP ALA SER n/a n/a
49 3IDM - GLU LEU ASP NRG TRP ALA SER n/a n/a
50 1U8K - LEU GLU LEU ASP LYS TRP ALA SER LEU n/a n/a
51 2C1P - FNZ C18 H15 F N4 O c1cc(ccc1C....
52 2R2E - KDE C11 H18 O8 C=CCO[C@@]....
53 3SY0 - KDA KDO KDO n/a n/a
54 3OKL - KDA KDO n/a n/a
55 2R1Y Kd = 31 uM KDR KDO n/a n/a
56 2R2B - KDA KDO KDO n/a n/a
57 2G5B - PRO THR SER SER GLU GLN ILE n/a n/a
58 2R1X Kd = 16 uM KDD KDA n/a n/a
59 3OKK - KDA KDO n/a n/a
60 3OKE - KO2 C11 H18 O9 C=CCO[C@@]....
61 3OKN - KDO KDO KDA n/a n/a
62 3HZM Kd = 0.00000145 M KDO C8 H14 O8 C1[C@H]([C....
63 2R23 Kd = 190 uM KO1 KDA n/a n/a
64 1Q9W - KDO KDO KDO n/a n/a
65 3T65 - KDA KDO n/a n/a
66 2R1W Kd = 25 uM KDB KDA n/a n/a
67 3OKO - KDA KDO KDO n/a n/a
68 3HZV - KDA KDO KDO n/a n/a
69 3T4Y - KDO C8 H14 O8 C1[C@H]([C....
70 3OKD - KDO C8 H14 O8 C1[C@H]([C....
71 3T77 - KDA KDO n/a n/a
72 3HZY Kd = 10 uM KDA KDO KDO n/a n/a
73 3HZK Kd = 30 uM KDA KDO n/a n/a
74 2R2H - KO2 C11 H18 O9 C=CCO[C@@]....
75 3BPC Kd = 16 uM KDB KDA n/a n/a
76 4HGW Kd = 0.00000145 M KTU KDO n/a n/a
77 5XQW Kd = 1.6 nM 8EU C9 H12 N O5 P CCP(=O)(O)....
78 5TKJ - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
79 6CDP - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
80 6CDM - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
81 1Y0L Kd ~ 1 nM HAN C14 H19 N3 O2 Cc1cc2c(cc....
82 1E4W Kd = 25 nM SER HIS PHE ASN GLU TYR GLU n/a n/a
83 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
84 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
85 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
86 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
87 1F3D - TPM C12 H18 N3 c1cc(ccc1C....
88 2OK0 Kd = 0.2 nM DT DC n/a n/a
89 1MRF - DI C10 H13 N4 O7 P c1nc2c(n1[....
90 1MRD - IDP C10 H14 N4 O11 P2 c1nc2c(n1[....
91 1MRE - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
92 5MY4 - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
93 3FO0 - BZH C12 H14 N4 O3 c1cc2c(cc1....
94 3FO2 - BZH C12 H14 N4 O3 c1cc2c(cc1....
95 3FO1 - BZH C12 H14 N4 O3 c1cc2c(cc1....
96 5DTF - 5CT C10 H23 N3 O3 C(CCNC[C@H....
97 5MYO - PCA PHE ARG HIS ASP SER GLY TYR GLU VAL n/a n/a
98 1QYG - BCG C16 H19 N O4 C[N@]1[C@H....
99 1RIV - OBE C16 H19 N O5 C[N@H+]1[C....
100 1Q72 Kd = 0.00000145 M COC C17 H21 N O4 C[N@]1[C@H....
101 1RIU - RBE C15 H17 N O4 c1ccc(cc1)....
102 3FN0 Kd ~ 40 uM TRP ASN TRP PHE ASP ILE THR ASN LYS n/a n/a
103 1S3K Kd = 0.24 uM FUC GAL NDG FUC n/a n/a
104 3EYV - FUC GAL NDG FUC n/a n/a
105 5I8C - ALA VAL GLY ILE GLY ALA VAL PHE LEU n/a n/a
106 2AJX - TGN C16 H22 N O5 P C[N@]1[C@H....
107 2AJZ - ECG C10 H17 N O3 C[N@]1[C@H....
108 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
109 2AJV - COC C17 H21 N O4 C[N@]1[C@H....
110 2AJY - ECG C10 H17 N O3 C[N@]1[C@H....
111 5VH4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
112 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
113 6DZN - AE3 C6 H14 O3 CCOCCOCCO
114 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCO[C@@]....
115 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
116 1KN4 - PDE C13 H17 N2 O8 P C[C@@H](C(....
117 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
118 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
119 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
120 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
121 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
122 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
123 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
124 4OCX Kd = 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
125 4S1D - 41M C16 H29 N5 O3 S C1[C@H]2[C....
126 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
127 5EOR - ASP VAL GLN THR GLY ARG ARG PRO TYR GLU n/a n/a
128 5JOP - GAL BGC NAG GAL n/a n/a
129 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
130 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
131 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
132 1JGU - HBC C20 H21 N O c1ccc(cc1)....
133 2DDQ - HRB C17 H27 N3 O5 CCCCC[C@@H....
134 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
135 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
136 1JGL Kd = 2 nM EST C18 H24 O2 C[C@]12CC[....
137 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCC[C@H](....
138 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCO[C@....
139 2Z92 Kd = 66.7 nM ENE C22 H30 O8 C1C=CCO[C@....
140 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
141 5EOQ - LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU n/a n/a
142 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
143 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
144 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
145 6EV2 - BGC C6 H12 O6 C([C@@H]1[....
146 4YHY - M3L C9 H21 N2 O2 C[N+](C)(C....
147 3TV3 - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
148 3TWC - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
149 6B3D - MAN MAN MAN MAN MAN MAN MAN n/a n/a
150 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
151 1EAP - HEP C15 H22 N O6 P CCCC[C@H](....
152 5T78 Kd = 43 nM NGA ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
153 5T6P Kd = 880 nM ALA PRO ASP THR ARG PRO ALA PRO n/a n/a
154 4TUO - SIA GAL SIA GLC NGA n/a n/a
155 1DL7 Kd = 0.32 uM NCH C11 H18 N2 O6 P C[N+](C)(C....
156 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
157 1MFE - GLA MAN ABE n/a n/a
158 1MFB - GLA MAN RAM RAM ABE MAN GLA n/a n/a
159 1MFD Kd = 4.9 uM GLA MMA ABE n/a n/a
160 1MFC - GLA MAN RAM ABE n/a n/a
161 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
162 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
163 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
164 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
165 3C6S - RAM RAM RAM GLC NAG RAM RAM RAM GLC NAG RAM n/a n/a
166 6DWI - HD4 C13 H26 N O13 P CC(=O)N[C@....
167 1M7D Ka = 1700000 M^-1 RAM RAE MAG n/a n/a
168 1M7I Ka = 250000 M^-1 RAM RAM RAM NAG RAO n/a n/a
169 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
170 5TKK - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
171 2BJM Ka < 100000 M^-1 ANF C14 H10 O c1ccc2c(c1....
172 1A6V - NPC C14 H17 N2 O6 c1cc(c(cc1....
173 1OAU Kd = 20 nM DNF SER n/a n/a
174 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
175 1XF2 - DT DT DT n/a n/a
176 2OMN - IPH C6 H6 O c1ccc(cc1)....
177 2YKL - NLD C17 H25 N3 O3 CCNC(=O)CC....
178 2YK1 Kd = 7.4 nM NCT C10 H14 N2 C[N@@]1CCC....
179 6DF1 - LEU PTR LEU n/a n/a
180 5ALB - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
181 5ALC - TIQ C23 H28 F2 N6 O4 S CCCSc1nc(c....
182 1NGP - NPA C8 H7 N O5 c1cc(c(cc1....
183 4ODV - GP1 Z9M n/a n/a
184 1KEG - DT 64T DT DT n/a n/a
185 1EHL - 5HT DT n/a n/a
186 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)[C....
187 1CLY - FUC GAL NAG NON FUC n/a n/a
188 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
189 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
190 6DW2 - HD4 C13 H26 N O13 P CC(=O)N[C@....
191 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
192 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
193 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
194 5DYO - FLU C20 H12 O5 c1ccc(c(c1....
195 4UIN Kd = 24 nM QI9 C20 H24 N2 O2 COc1ccc2c(....
196 3V0W Kd = 32 nM PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO n/a n/a
197 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
198 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
199 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
200 1YNK - SC5 C18 H26 N4 O2 C[C@H](c1c....
201 1I7Z Kd = 0.4 uM COC C17 H21 N O4 C[N@]1[C@H....
202 2O5Z Kd = 110 mM ANO C19 H28 O2 C[C@]12CCC....
203 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
204 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
205 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
206 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
207 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
208 1IND Ka = 11000000000 M^-1 EOT C20 H28 N4 O9 S c1cc(ccc1C....
209 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
210 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
211 1UM5 - SS1 C8 H10 O C[C@@H](c1....
212 1UM4 - SH4 C17 H19 N O4 P C[C@@H](c1....
213 1VPO Kd = 0.00000145 M TES C19 H28 O2 C[C@]12CC[....
214 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
215 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
216 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
217 1Q0Y Kd ~ 1 nM MOI C17 H19 N O3 C[N@]1CC[C....
218 6CDO - ALA VAL GLY ILE GLY ALA VAL PHE n/a n/a
219 4YHK ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
220 4YHM ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
221 4YHO ic50 = 2.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
222 4YHI ic50 = 4.6 nM 4CC C25 H25 N7 O3 [H]/N=C(c1....
223 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
224 1IGJ Kd = 0.1 nM DGX C41 H64 O14 C[C@@H]1[C....
225 1UZ8 Kd = 10.75 uM MAG FUC GAL n/a n/a
226 4ODT - GP1 Z9M n/a n/a
227 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
228 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
229 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
230 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
231 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
232 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
233 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
234 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
235 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
236 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
237 6BE4 - NAG NAG NAG NAG NAG n/a n/a
238 6BE3 - NAG C8 H15 N O6 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 230
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 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
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
APoc FAQ
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