Receptor
PDB id Resolution Class Description Source Keywords
2I2C 1.85 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF LMNADK1 LISTERIA MONOCYTOGENES EGD-E NADP BOUND CRYSTAL STRUCTURE OF LMNADK1 TRANSFERASE
Ref.: NAD KINASES USE SUBSTRATE-ASSISTED CATALYSIS FOR SP RECOGNITION OF NAD. J.BIOL.CHEM. V. 282 33925 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DTA A:273;
Valid;
none;
Ki = 0.02 mM
564.598 C20 H24 N10 O6 S2 c1nc(...
PG4 A:301;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DHU 2.33 Å EC: 2.7.1.23 CRYSTAL STRUCTURE OF NAD KINASE 1 FROM LISTERIA MONOCYTOGENE COMPLEX WITH A NOVEL INHIBITOR LISTERIA MONOCYTOGENES SEROVAR 1/2A (SATCC BAA-679 / EGD-E) TETRAMERIC NAD KINASE TRANSFERASE
Ref.: 8-THIOALKYL-ADENOSINE DERIVATIVES INHIBIT LISTERIA MONOCYTOGENES NAD KINASE THROUGH A NOVEL BINDING MO EUR.J.MED.CHEM. V. 124 1041 2016
Members (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
70% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3V7Y - A3N C13 H16 N6 O3 C#CCNC[C@@....
2 2Q5F Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
3 6RGD - K2W C24 H29 N11 O7 c1nc(c2c(n....
4 3V8M - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
5 6RC5 - JYB C9 H9 N5 CCn1c(nc2c....
6 6RBX - JYT C8 H10 Br N5 O c1nc(c2c(n....
7 3V8P - ZNB C22 H26 Br N14 O7 S c1nc(c2c(n....
8 3V7W - ZAS C10 H13 N8 O3 c1nc(c2c(n....
9 6RBO - JXQ C11 H13 N5 C#CCCCCn1c....
10 4DY6 - A22 C20 H27 N10 O16 P3 c1nc(c2c(n....
11 6RR2 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
12 3V80 - AOC C13 H15 N5 O4 C#CCOC[C@@....
13 2I2A Ki = 0.04 mM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 6RG8 - K2K C19 H21 N11 O3 c1nc(c2c(n....
15 6RBV - JYE C8 H9 Br N8 c1nc(c2c(n....
16 2I2D - A2D C20 H26 N10 O13 P2 c1nc(c2c(n....
17 6RGB - K38 C23 H27 N11 O7 c1nc(c2c(n....
18 5DHQ Ki = 2 uM 5AK C20 H23 Br N6 O5 S c1cc(cc(c1....
19 3V8R - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
20 2I2C Ki = 0.02 mM DTA C20 H24 N10 O6 S2 c1nc(c2c(n....
21 6RGC - K3H C24 H29 N11 O7 CN(CC#Cc1n....
22 6RBU - JYK C7 H7 Br N8 c1nc(c2c(n....
23 2I2F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6RBY - JYW C9 H12 Br N5 O c1nc(c2c(n....
25 2I29 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6RC3 - JXW C8 H10 Cl N5 Cc1nc2c(nc....
27 3V8Q - 5N5 C10 H14 N6 O3 c1nc(c2c(n....
28 6RBP - JYN C9 H12 N8 c1nc(c2c(n....
29 6RC4 - JXZ C8 H11 N5 O Cc1nc2c(nc....
30 6RBS - JXT C10 H10 Br N5 C#CCCCn1c2....
31 6RBR - JXN C7 H8 Br N5 CCn1c2c(c(....
32 6RG9 - K3K C23 H26 N10 O8 c1nc(c2c(n....
33 2I2B - CC5 C9 H11 N5 O3 c1nc(c2c(n....
34 5DHR Ki = 23 uM 5AJ C21 H23 N11 O4 S c1ccc2c(c1....
35 6RGA - K3E C23 H27 N11 O7 c1nc(c2c(n....
36 6RBW - JXB C9 H11 Br N8 c1nc(c2c(n....
37 6RBQ - JYQ C11 H15 N5 O S CC(=O)SCCC....
38 6RBZ - JXK C8 H11 Br N6 c1nc(c2c(n....
39 3V8N - 5NB C10 H13 Br N6 O3 c1nc(c2c(n....
40 5DHP Ki = 140 uM 5AQ C20 H24 N6 O5 S c1ccc(cc1)....
41 6RC2 - JY2 C11 H13 N5 Cc1nc2c(nc....
42 6RG7 - K2H C19 H21 N11 O3 CN(CC#Cc1[....
43 5DHU Ki = 0.5 uM 5A8 C22 H24 N10 O4 S c1ccc2c(c1....
44 6RC6 - JY5 C13 H15 N5 O2 c1nc(c2c(n....
45 3V7U - MTA C11 H15 N5 O3 S CSC[C@@H]1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: DTA; Similar ligands found: 320
No: Ligand ECFP6 Tc MDL keys Tc
1 DTA 1 1
2 3DH 0.790323 0.867647
3 MTA 0.786885 0.867647
4 A5D 0.746479 1
5 DSH 0.742424 0.833333
6 XYA 0.741379 0.865672
7 RAB 0.741379 0.865672
8 ADN 0.741379 0.865672
9 5CD 0.733333 0.878788
10 5N5 0.716667 0.865672
11 A4D 0.704918 0.893939
12 5X8 0.694444 0.855072
13 A7D 0.690141 0.869565
14 EP4 0.671875 0.816901
15 SAH 0.666667 0.857143
16 M2T 0.661538 0.819444
17 A6D 0.646341 0.876712
18 LMS 0.637681 0.753086
19 A 0.637681 0.808219
20 AMP 0.637681 0.808219
21 SRA 0.628571 0.813333
22 ZAS 0.614286 0.830986
23 J7C 0.611111 0.783784
24 AAT 0.607595 0.810811
25 AMP MG 0.605634 0.819444
26 6RE 0.605634 0.773333
27 NWW 0.6 0.80303
28 AOC 0.597222 0.84058
29 5AD 0.596774 0.815385
30 S8M 0.590361 0.847222
31 A2D 0.589041 0.810811
32 45A 0.589041 0.786667
33 ABM 0.589041 0.786667
34 A3N 0.589041 0.828571
35 GJV 0.581081 0.763158
36 S4M 0.581081 0.759494
37 SON 0.578947 0.779221
38 SXZ 0.574713 0.789474
39 MAO 0.573333 0.75
40 AP2 0.573333 0.779221
41 BA3 0.573333 0.810811
42 A12 0.573333 0.779221
43 ADX 0.571429 0.753086
44 CA0 0.571429 0.766234
45 AP5 0.565789 0.810811
46 B4P 0.565789 0.810811
47 ADP 0.565789 0.786667
48 5AS 0.565789 0.709302
49 SFG 0.564103 0.84058
50 50T 0.564103 0.776316
51 H1Q 0.564103 0.797297
52 KG4 0.564103 0.766234
53 7D7 0.5625 0.808824
54 Y3J 0.560606 0.791045
55 ADP MG 0.558442 0.808219
56 AT4 0.558442 0.802632
57 ADP BEF 0.558442 0.808219
58 AN2 0.558442 0.776316
59 M33 0.551282 0.776316
60 MHZ 0.551282 0.75
61 AU1 0.551282 0.766234
62 SA8 0.55 0.786667
63 EEM 0.548781 0.766234
64 HEJ 0.544304 0.786667
65 ATP 0.544304 0.786667
66 ACP 0.544304 0.766234
67 G5A 0.54321 0.709302
68 SAI 0.54321 0.819444
69 5FA 0.5375 0.786667
70 AR6 0.5375 0.786667
71 AQP 0.5375 0.786667
72 APC 0.5375 0.779221
73 PRX 0.5375 0.766234
74 APR 0.5375 0.786667
75 SAM 0.536585 0.789474
76 GAP 0.536585 0.766234
77 SRP 0.535714 0.75641
78 SMM 0.535714 0.759494
79 3AM 0.534247 0.77027
80 A3G 0.533333 0.816901
81 NEC 0.533333 0.785714
82 AGS 0.530864 0.792208
83 ADV 0.530864 0.779221
84 APC MG 0.530864 0.810811
85 RBY 0.530864 0.779221
86 ADP PO3 0.530864 0.808219
87 ATP MG 0.530864 0.808219
88 AD9 0.530864 0.766234
89 8LE 0.53012 0.746835
90 5AL 0.53012 0.776316
91 V2G 0.53012 0.728395
92 BEF ADP 0.52439 0.786667
93 A5A 0.52381 0.73494
94 NWQ 0.520548 0.779412
95 T99 0.518072 0.802632
96 ANP 0.518072 0.766234
97 ACQ 0.518072 0.766234
98 TAT 0.518072 0.802632
99 V47 0.517647 0.852941
100 S7M 0.517647 0.789474
101 8LH 0.517647 0.75641
102 SSA 0.517647 0.709302
103 8QN 0.517241 0.776316
104 U4Y 0.515464 0.847222
105 N5O 0.513158 0.777778
106 A3P 0.512821 0.783784
107 VMS 0.511628 0.717647
108 52H 0.511628 0.709302
109 54H 0.511628 0.717647
110 3AD 0.507246 0.850746
111 7D5 0.506849 0.75
112 VO4 ADP 0.505882 0.766234
113 ANP MG 0.505882 0.776316
114 ATF 0.505882 0.75641
115 ALF ADP 0.505882 0.746835
116 TSB 0.505747 0.72619
117 QA7 0.505747 0.746835
118 53H 0.505747 0.709302
119 DAL AMP 0.505747 0.776316
120 KY2 0.505747 0.766234
121 8X1 0.505747 0.685393
122 5CA 0.505747 0.709302
123 8LQ 0.505747 0.75641
124 NVA LMS 0.505618 0.685393
125 AHX 0.505618 0.728395
126 00A 0.505618 0.759494
127 A3S 0.5 0.828571
128 3UK 0.5 0.789474
129 6YZ 0.5 0.766234
130 OOB 0.5 0.8
131 N5A 0.5 0.774648
132 9ZD 0.5 0.7375
133 25A 0.5 0.810811
134 9ZA 0.5 0.7375
135 QXP 0.5 0.756098
136 GEK 0.5 0.821918
137 2AM 0.5 0.76
138 KYB 0.494382 0.766234
139 PAJ 0.494382 0.719512
140 NSS 0.494382 0.709302
141 4AD 0.494382 0.746835
142 DSZ 0.494382 0.709302
143 0UM 0.494382 0.776316
144 LSS 0.494382 0.693182
145 AMO 0.494382 0.75641
146 HQG 0.494253 0.776316
147 KL2 0.493151 0.733333
148 CC5 0.492537 0.863636
149 ME8 0.48913 0.722892
150 62X 0.488889 0.7375
151 DLL 0.488889 0.8
152 A22 0.488636 0.8
153 MAP 0.488636 0.746835
154 A3T 0.487805 0.84058
155 OAD 0.483516 0.766234
156 QXG 0.483516 0.746988
157 K15 0.483516 0.75641
158 LEU LMS 0.483516 0.701149
159 OZV 0.483146 0.786667
160 5SV 0.483146 0.75
161 OVE 0.480519 0.776316
162 LAD 0.478261 0.740741
163 P5A 0.478261 0.696629
164 B5V 0.478261 0.779221
165 R2V 0.478261 0.756098
166 WAQ 0.478261 0.759494
167 KAA 0.478261 0.704545
168 PR8 0.478261 0.731707
169 GSU 0.478261 0.709302
170 A3R 0.477778 0.759494
171 A1R 0.477778 0.759494
172 ADQ 0.477778 0.789474
173 NVA 2AD 0.47619 0.773333
174 A2P 0.475 0.77027
175 QQX 0.473684 0.75
176 TXA 0.473118 0.75641
177 3OD 0.473118 0.766234
178 NB8 0.473118 0.728395
179 1ZZ 0.473118 0.722892
180 9K8 0.473118 0.704545
181 PTJ 0.473118 0.728395
182 K2H 0.472527 0.819444
183 JNT 0.472527 0.766234
184 2VA 0.46988 0.816901
185 KYE 0.46875 0.746835
186 XAH 0.46875 0.722892
187 MYR AMP 0.468085 0.722892
188 KB1 0.468085 0.8
189 SP1 0.467532 0.810811
190 RP1 0.467532 0.810811
191 QQY 0.467532 0.76
192 ACK 0.467532 0.753425
193 9X8 0.467391 0.769231
194 ADP BMA 0.467391 0.789474
195 3L1 0.464789 0.814286
196 3D1 0.464789 0.814286
197 MTP 0.464789 0.767123
198 9SN 0.463158 0.75
199 KY8 0.462366 0.810811
200 K2K 0.462366 0.821918
201 PPS 0.45977 0.731707
202 PAP 0.458824 0.773333
203 8PZ 0.458333 0.729412
204 B5Y 0.458333 0.769231
205 FA5 0.458333 0.779221
206 2FA 0.458333 0.805556
207 26A 0.458333 0.777778
208 B5M 0.458333 0.769231
209 JB6 0.457447 0.805195
210 FYA 0.457447 0.8
211 BIS 0.457447 0.7375
212 NOC 0.457143 0.779412
213 2BA 0.45679 0.805556
214 CMP 0.45679 0.816901
215 YSA 0.453608 0.729412
216 B1U 0.453608 0.688889
217 VRT 0.453488 0.783784
218 SO8 0.453488 0.805556
219 25L 0.452632 0.8
220 KY5 0.452632 0.833333
221 5F1 0.452055 0.797101
222 TAD 0.45 0.7625
223 4UV 0.44898 0.769231
224 V3L 0.448276 0.786667
225 NX8 0.448276 0.797297
226 K38 0.447917 0.819444
227 NWZ 0.447059 0.783784
228 LAQ 0.445545 0.7875
229 7D3 0.444444 0.730769
230 7C5 0.444444 0.786667
231 TT8 0.444444 0.833333
232 KMQ 0.443299 0.75641
233 ATP A 0.443299 0.821918
234 K3K 0.443299 0.819444
235 ATP A A A 0.443299 0.821918
236 LPA AMP 0.441176 0.7875
237 4UU 0.44 0.769231
238 7MD 0.44 0.702381
239 ARG AMP 0.44 0.694118
240 D3Y 0.43956 0.830986
241 K2W 0.438776 0.8
242 K3H 0.438776 0.786667
243 1DA 0.438356 0.865672
244 6MD 0.438356 0.826087
245 NAX 0.436893 0.731707
246 NAI 0.436893 0.759494
247 HY8 0.436893 0.789474
248 4YB 0.435644 0.712644
249 DQV 0.435644 0.8
250 KXW 0.435644 0.810811
251 KH3 0.435644 0.746835
252 AMP DBH 0.434343 0.789474
253 K3E 0.434343 0.808219
254 J4G 0.431579 0.746835
255 AHZ 0.431373 0.722892
256 HZ2 0.431373 0.789474
257 2A5 0.430233 0.721519
258 G3A 0.43 0.75
259 F0P 0.428571 0.810811
260 8Q2 0.428571 0.704545
261 Q2M 0.428571 0.789474
262 J1A 0.428571 0.753086
263 Q34 0.428571 0.769231
264 KOY 0.427184 0.819444
265 48N 0.427184 0.728395
266 OZP 0.427184 0.810811
267 YLP 0.427184 0.705882
268 GA7 0.425743 0.779221
269 G5P 0.425743 0.75
270 AR6 AR6 0.425743 0.810811
271 AFH 0.425743 0.740741
272 ATR 0.425287 0.76
273 7D4 0.423529 0.730769
274 EU9 0.423077 0.756098
275 DND 0.423077 0.779221
276 6V0 0.423077 0.75
277 TXD 0.423077 0.759494
278 4UW 0.423077 0.740741
279 GTA 0.421569 0.722892
280 IOT 0.420561 0.697674
281 OMR 0.419048 0.714286
282 ALF ADP 3PG 0.419048 0.719512
283 TYM 0.419048 0.779221
284 N37 0.419048 0.819444
285 WSA 0.419048 0.738095
286 TXE 0.419048 0.759494
287 AF3 ADP 3PG 0.419048 0.719512
288 649 0.419048 0.715909
289 3NZ 0.416667 0.797297
290 Q2V 0.416667 0.8
291 J1C 0.415254 0.663043
292 L3W 0.415094 0.75641
293 NAD IBO 0.415094 0.810811
294 YLC 0.415094 0.722892
295 7MC 0.415094 0.686047
296 YLB 0.415094 0.705882
297 NAD TDB 0.415094 0.810811
298 J1B 0.413793 0.663043
299 A2R 0.413043 0.776316
300 CNA 0.412844 0.779221
301 ERJ 0.4125 0.823529
302 UP5 0.409524 0.769231
303 101 0.407407 0.75
304 PGS 0.406977 0.7375
305 Q2P 0.405405 0.769231
306 ADJ 0.40367 0.73494
307 YLA 0.40367 0.705882
308 KF5 0.402778 0.652174
309 D5M 0.402439 0.75
310 DA 0.402439 0.75
311 CUU 0.402299 0.763158
312 4TC 0.401869 0.75
313 AP0 0.401869 0.75
314 UPA 0.401869 0.759494
315 DZD 0.401786 0.7625
316 AYB 0.4 0.697674
317 IVH 0.4 0.75641
318 BS5 0.4 0.688889
319 ARJ 0.4 0.764706
320 AFX 0.4 0.689189
Similar Ligands (3D)
Ligand no: 1; Ligand: DTA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DHU; Ligand: 5A8; 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: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5DHU; Ligand: 5A8; 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: 5dhu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5dhu.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5DHU; Ligand: 5A8; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5dhu.bio1) has 55 residues
No: Leader PDB Ligand Sequence Similarity
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