Receptor
PDB id Resolution Class Description Source Keywords
1Q1A 1.5 Å EC: 3.5.1.- STRUCTURE OF THE YEAST HST2 PROTEIN DEACETYLASE IN TERNARY COMPLEX WITH 2'-O-ACETYL ADP RIBOSE AND HISTONE PEPTIDE SACCHAROMYCES CEREVISIAE TERNARY COMPLEX HISTONE DEACETYLASE 2-prime -O-ADP RIBOSE GENE REGULATION
Ref.: STRUCTURE OF THE YEAST HST2 PROTEIN DEACETYLASE IN TERNARY COMPLEX WITH 2'-O-ACETYL ADP RIBOSE AND HISTONE PEPTIDE. STRUCTURE V. 11 1403 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE B:349;
 Valid;
 none;
 submit data
939.138 n/a O=C(N...
OAD A:1001;
 Valid;
 none;
 submit data
601.352 C17 H25 N5 O15 P2 CC(=O...
ZN A:701;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SZD 1.5 Å EC: 3.5.1.- STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-RIBOSE TR NAD+-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES SACCHAROMYCES CEREVISIAE HST2 SIR2 SIRTUIN HISTONE DEACETYLASE PROTEIN DEACETYLASREGULATION
Ref.: STRUCTURAL BASIS FOR NICOTINAMIDE CLEAVAGE AND ADP-TRANSFER BY NAD(+)-DEPENDENT SIR2 HISTONE/PROTEIN DEACETYLASES. PROC.NATL.ACAD.SCI.USA V. 101 8563 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 35 families.
1 1SZD Kd = 29.16 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 1Q1A - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
3 1SZC - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 1SZD Kd = 29.16 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 1Q1A - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
3 1SZC - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
50% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 1SZD Kd = 29.16 uM APR C15 H23 N5 O14 P2 c1nc(c2c(n....
2 1Q1A - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
3 1SZC - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
4 4RMG ic50 = 0.14 uM 3TE C22 H20 N4 O S2 Cc1cc(nc(n....
5 4R8M - PRO LYS LYS THR GLY 3LX n/a n/a
6 4RMH - 3TE C22 H20 N4 O S2 Cc1cc(nc(n....
7 5DY4 ic50 = 0.21 uM 5GN C22 H19 Br N4 O S2 Cc1cc(nc(n....
8 4Y6L - THR ALA ARG MYK SER THR GLY n/a n/a
9 5MAR ic50 = 41.2 uM 7KE C11 H11 Cl N2 O2 c1cc(ccc1c....
10 3ZGV - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
11 4Y6O - LEU PRO LYS MYK THR GLY GLY n/a n/a
12 4RMJ - NCA C6 H6 N2 O c1cc(cnc1)....
13 5DY5 ic50 = 0.163 uM 5GR C28 H27 N7 O2 S2 Cc1cc(nc(n....
14 5D7P ic50 = 20 uM OCZ C13 H13 Cl N2 O c1cc2c(cc1....
15 4RMI - 3TK C18 H18 N4 O S2 Cc1cc(nc(n....
16 5Y0Z ic50 = 0.46 uM 8K9 C30 H44 N2 O3 CCC(C)(C)c....
17 5YQN ic50 = 93.7 uM L55 C26 H26 N6 O3 S Cc1cc(nc(n....
18 5MAT ic50 = 0.58 uM 7KJ C28 H28 N4 O3 S Cc1c(c(on1....
19 6QCN - QUE C15 H10 O7 c1cc(c(cc1....
20 4Y6Q - OMR C29 H49 N5 O15 P2 CCCCCCCCCC....
21 5D7Q ic50 = 2.8 uM 4I5 C14 H15 Cl N2 O c1cc2c(cc1....
22 5YQM - A2X C20 H19 N3 O S2 Cc1cc(nc(n....
23 5G4C Kd = 13.7 uM ARG ALA ALA 6G4 THR n/a n/a
24 5YQL ic50 = 25.9 uM A2I C21 H21 N3 O2 S Cc1cc(nc(n....
25 5YQO ic50 = 0.815 uM L5C C26 H26 N6 O3 S Cc1cc(nc(n....
26 5D7O - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
27 4FZ3 - ACE ARG HIS LYS ALY MCM n/a n/a
28 4JT9 ic50 = 0.0072 uM 1NS C15 H21 N5 O3 S2 CS(=O)(=O)....
29 5BWO - PLM GLN THR ALA ARG LYS SER THR GLY GLY TRP n/a n/a
30 4JT8 ic50 = 0.033 uM 1NR C19 H27 N5 O2 S CC(C)(C)C(....
31 4BV3 Kd = 16.5 uM OCZ C13 H13 Cl N2 O c1cc2c(cc1....
32 4BVH - OAD C17 H25 N5 O15 P2 CC(=O)O[C@....
33 4C7B - ARG HIS LYS FDL n/a n/a
34 4C78 - BVB C14 H11 Br O2 c1cc(ccc1/....
35 5BWN - GLN THR ALA ARG MYK SER THR GLY GLY TRP n/a n/a
36 4BN4 - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
37 4JSR ic50 = 0.004 uM 1NQ C22 H26 N6 O3 S2 CCNC(=O)c1....
38 4BVE - THR ARG SER GLY FZN VAL MET ARG ARG LEU n/a n/a
39 4BVB - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
40 4FVT - CNA C22 H30 N7 O13 P2 c1cc(c[n+]....
41 4I5I - 4I5 C14 H15 Cl N2 O c1cc2c(cc1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE; Similar ligands found: 41
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 1 1
2 LYS GLY GLY ALA ALY ARG HIS ARG 0.821138 0.965517
3 LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL 0.733333 0.982143
4 ARG HIS LYS ALY LEU MET PHE LYS 0.54 0.84127
5 ALA LYS ARG HIS ARG LYS VAL LEU ARG ASP 0.517483 0.87931
6 LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.513158 0.83871
7 ILE LEU ALA LYS PHE LEU HIS ARG LEU 0.506579 0.836066
8 ALA LYS ARG HIS ARG MLY VAL LEU ARG ASP 0.503311 0.857143
9 ARG HIS LYS FDL 0.490066 0.716216
10 LYS ILE LEU HIS ARG LEU LEU GLN ASP SER 0.4875 0.8
11 HIS HIS ALA SER PRO ARG LYS 0.487179 0.75
12 THR SER ARG HIS LYS ALY LEU MET ALA 0.483871 0.782609
13 SER THR GLY GLY VAL M3L LYS PRO HIS ARG 0.483146 0.746667
14 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.477987 0.83871
15 ALA ILE LEU HIS ARG LEU LEU GLN 0.472603 0.864407
16 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.470968 0.84127
17 ACE ARG HIS LYS ALY MCM 0.470968 0.706667
18 LYS ARG ARG ARG HIS PRO SER 0.466667 0.772727
19 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.460526 0.9
20 ALA HIS ALA LYS ALA 0.457364 0.821429
21 ACE ARG HIS ALY ALY MCM 0.456376 0.716216
22 HIS LYS ILE LEU HIS ARG LEU LEU GLN ASP 0.45625 0.825397
23 ALA LYS PHE ARG HIS ASP 0.455172 0.836066
24 ARG ARG LYS TRP ARG ARG TRP HIS LEU 0.454545 0.8125
25 LYS ARG ARG ARG HIS PRO SER GLY 0.454545 0.764706
26 ARG ARG LYS TRP CIR ARG TRP HIS LEU 0.452229 0.8
27 GLY ALA ARG ALA HIS SER SER 0.45 0.84127
28 GLU ALY ARG 0.448819 0.758621
29 GLY LEU GLY ALY GLY GLY ALA ALY ALA 0.441176 0.689655
30 ASP ALA GLU PHE ARG HIS ASP SER 0.440789 0.819672
31 LYS VAL ALA PRO PRO ILE PRO HIS ARG 0.43787 0.830769
32 ARG GLY PHE ALA LEU M3L SER THR HIS GLY 0.436047 0.756757
33 ACE ALA ARG THR LYS GLN 0.424242 0.677419
34 GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.423077 0.854839
35 ALA ARG LYS SEP THR GLY GLY LYS 0.417219 0.642857
36 ARG ARG ARG TRP HIS ARG TRP ARG LEU 0.411765 0.796875
37 ALA ARG M3L SER CYS GLY GLY LYS 08P 0.409938 0.61039
38 LYS ALA ALA ARG M3L SER ALA 0.408451 0.633803
39 ALA ARG THR LYS GLN THR ALA ARG LYS 0.402778 0.709677
40 LYS ARG LYS ARG LYS ARG LYS ARG LYS ARG 0.401575 0.732143
41 GLU GLU GLU ASP GLY TPO MET LYS ARG ASN 0.4 0.638889
Ligand no: 2; Ligand: OAD; Similar ligands found: 415
No: Ligand ECFP6 Tc MDL keys Tc
1 OAD 1 1
2 9X8 0.862069 0.946667
3 3OD 0.782609 1
4 A2D 0.765432 0.945205
5 OMR 0.76 0.9
6 APR 0.744186 0.972222
7 AR6 0.744186 0.972222
8 BA3 0.72619 0.945205
9 KMQ 0.721649 0.959459
10 B4P 0.717647 0.945205
11 AP5 0.717647 0.945205
12 AGS 0.715909 0.896104
13 AN2 0.709302 0.932432
14 M33 0.701149 0.958904
15 ADP 0.697674 0.945205
16 ATP 0.693182 0.945205
17 HEJ 0.693182 0.945205
18 AT4 0.689655 0.907895
19 5FA 0.685393 0.945205
20 AQP 0.685393 0.945205
21 CA0 0.681818 0.972603
22 A22 0.680851 0.932432
23 AD9 0.677778 0.92
24 KG4 0.674157 0.972603
25 ACP 0.674157 0.92
26 JNT 0.659794 0.92
27 8LE 0.655914 0.946667
28 5AL 0.655914 0.986111
29 HQG 0.652632 0.958904
30 PRX 0.648352 0.894737
31 A 0.647059 0.917808
32 AMP 0.647059 0.917808
33 8LQ 0.645833 0.959459
34 ACQ 0.645161 0.92
35 ANP 0.645161 0.92
36 ADX 0.644444 0.851852
37 ABM 0.643678 0.918919
38 45A 0.643678 0.918919
39 8LH 0.642105 0.959459
40 SRA 0.639535 0.87013
41 50T 0.637363 0.906667
42 A1R 0.632653 0.884615
43 ADQ 0.632653 0.945946
44 A3R 0.632653 0.884615
45 ATF 0.631579 0.907895
46 QA7 0.628866 0.946667
47 DLL 0.626263 0.958904
48 SRP 0.625 0.933333
49 6YZ 0.625 0.92
50 8QN 0.622449 0.986111
51 OOB 0.622449 0.958904
52 AMP MG 0.62069 0.90411
53 25L 0.617647 0.932432
54 PAJ 0.616162 0.935065
55 4AD 0.616162 0.946667
56 A12 0.611111 0.907895
57 AP2 0.611111 0.907895
58 00A 0.61 0.909091
59 1ZZ 0.607843 0.8875
60 ADV 0.606383 0.933333
61 RBY 0.606383 0.933333
62 25A 0.606061 0.918919
63 AMO 0.6 0.959459
64 WAQ 0.598039 0.909091
65 PR8 0.598039 0.875
66 ADP MG 0.597826 0.917808
67 ADP BEF 0.597826 0.917808
68 SON 0.597826 0.933333
69 48N 0.59633 0.947368
70 APC 0.595745 0.907895
71 AHX 0.594059 0.897436
72 GAP 0.59375 0.92
73 T99 0.59375 0.907895
74 TAT 0.59375 0.907895
75 DQV 0.592593 0.958904
76 PTJ 0.592233 0.922078
77 ME8 0.592233 0.8875
78 BIS 0.592233 0.884615
79 TXA 0.592233 0.986301
80 AU1 0.591398 0.92
81 DND 0.590909 0.959459
82 5SV 0.59 0.85
83 9ZD 0.59 0.934211
84 9ZA 0.59 0.934211
85 3UK 0.588235 0.945946
86 V2G 0.587629 0.897436
87 A2R 0.585859 0.958904
88 F2R 0.582609 0.865854
89 B5V 0.582524 0.933333
90 LAD 0.582524 0.886076
91 L3W 0.580357 0.933333
92 DAL AMP 0.58 0.958904
93 NB8 0.576923 0.922078
94 FYA 0.576923 0.881579
95 NAI 0.576577 0.909091
96 NAX 0.576577 0.875
97 TXD 0.576577 0.909091
98 6V0 0.576577 0.897436
99 FA5 0.575472 0.933333
100 B5M 0.575472 0.946667
101 B5Y 0.575472 0.946667
102 OZV 0.574257 0.945205
103 CNA 0.573913 0.933333
104 ADP PO3 0.572917 0.917808
105 ATP MG 0.572917 0.917808
106 APC MG 0.572917 0.893333
107 TXE 0.571429 0.909091
108 BEF ADP 0.56701 0.893333
109 9SN 0.566038 0.897436
110 ANP MG 0.565657 0.906667
111 MAP 0.564356 0.896104
112 COD 0.564103 0.835294
113 GTA 0.563636 0.8875
114 G3A 0.559633 0.897436
115 LAQ 0.558559 0.864198
116 XAH 0.555556 0.841463
117 AFH 0.554545 0.886076
118 G5P 0.554545 0.897436
119 AP0 0.552632 0.897436
120 4UV 0.550459 0.921053
121 VO4 ADP 0.55 0.894737
122 ALF ADP 0.55 0.848101
123 MYR AMP 0.542056 0.864198
124 A3D 0.541667 0.945946
125 ATR 0.540816 0.917808
126 GA7 0.540541 0.907895
127 4UU 0.540541 0.921053
128 YLP 0.539823 0.865854
129 YLB 0.53913 0.865854
130 T5A 0.538462 0.865854
131 LMS 0.538462 0.807229
132 4UW 0.535088 0.910256
133 UP5 0.535088 0.921053
134 A4P 0.534483 0.823529
135 FB0 0.530769 0.806818
136 80F 0.528926 0.865854
137 ADP BMA 0.528302 0.92
138 NA7 0.528302 0.907895
139 UPA 0.525862 0.909091
140 YLC 0.525862 0.8875
141 ADJ 0.525424 0.853659
142 139 0.525424 0.875
143 PAP 0.525253 0.931507
144 NAD 0.525 0.932432
145 XYA 0.52381 0.821918
146 ADN 0.52381 0.821918
147 RAB 0.52381 0.821918
148 5AS 0.520833 0.781609
149 BT5 0.520661 0.833333
150 JB6 0.518519 0.860759
151 AHZ 0.517544 0.864198
152 TYM 0.517241 0.933333
153 IOT 0.516949 0.833333
154 2A5 0.515152 0.87013
155 4TC 0.512821 0.897436
156 NAE 0.512 0.921053
157 AOC 0.510638 0.8
158 ITT 0.510204 0.891892
159 7D4 0.510204 0.857143
160 AYB 0.508333 0.855422
161 EAD 0.507812 0.898734
162 5CD 0.505747 0.783784
163 EP4 0.505618 0.75641
164 G5A 0.504951 0.781609
165 A5A 0.504854 0.831325
166 TSB 0.504762 0.843373
167 ATP A A A 0.504505 0.905405
168 ATP A 0.504505 0.905405
169 7D3 0.5 0.857143
170 AR6 AR6 0.5 0.918919
171 YLA 0.5 0.843373
172 LPA AMP 0.5 0.841463
173 ARG AMP 0.5 0.831325
174 NAQ 0.496063 0.897436
175 TAD 0.495652 0.886076
176 VMS 0.495238 0.811765
177 52H 0.495238 0.802326
178 54H 0.495238 0.811765
179 6AD 0.495146 0.886076
180 A2P 0.494845 0.90411
181 A3P 0.494845 0.917808
182 5N5 0.494253 0.797297
183 P1H 0.492424 0.876543
184 NJP 0.491803 0.921053
185 ODP 0.491803 0.886076
186 NVA LMS 0.490741 0.775281
187 53H 0.490566 0.802326
188 HFD 0.490196 0.896104
189 JSQ 0.490196 0.896104
190 A4D 0.488636 0.797297
191 BTX 0.487805 0.821429
192 NAD TDB 0.487395 0.918919
193 7MC 0.487395 0.888889
194 NAD IBO 0.487395 0.918919
195 7MD 0.486957 0.8875
196 LEU LMS 0.486239 0.772727
197 AVV 0.485981 0.873418
198 SSA 0.485714 0.802326
199 3DH 0.483871 0.776316
200 2AM 0.483871 0.891892
201 DTA 0.483516 0.766234
202 M2T 0.483516 0.7375
203 AMP DBH 0.482456 0.894737
204 NSS 0.481481 0.802326
205 LSS 0.481481 0.784091
206 PPS 0.480769 0.829268
207 ZID 0.48062 0.92
208 YLY 0.480315 0.855422
209 AF3 ADP 3PG 0.478992 0.8625
210 ALF ADP 3PG 0.478992 0.8625
211 3AM 0.478723 0.878378
212 MTA 0.478261 0.776316
213 9K8 0.477477 0.755556
214 ARU 0.477064 0.839506
215 8X1 0.476636 0.755556
216 5CA 0.476636 0.802326
217 D4F 0.476562 0.864198
218 0WD 0.475806 0.897436
219 NPW 0.47541 0.864198
220 NDP 0.47541 0.897436
221 H1Q 0.475248 0.88
222 6FA 0.474453 0.865854
223 7D5 0.473118 0.831169
224 DZD 0.472 0.886076
225 NZQ 0.471545 0.886076
226 TXP 0.471545 0.897436
227 V3L 0.471154 0.945205
228 NDE 0.470149 0.907895
229 OVE 0.46875 0.857143
230 6RE 0.46875 0.719512
231 M24 0.46875 0.875
232 P5A 0.468468 0.747253
233 DSZ 0.46789 0.823529
234 FAS 0.467626 0.876543
235 FAD 0.467626 0.876543
236 SFD 0.467626 0.755319
237 FDA 0.467153 0.835294
238 8PZ 0.464912 0.802326
239 62F 0.464789 0.864198
240 FNK 0.464789 0.806818
241 NAJ PZO 0.464567 0.85
242 AMP NAD 0.464 0.932432
243 5X8 0.460784 0.789474
244 J7C 0.459184 0.728395
245 N0B 0.458015 0.843373
246 SMM 0.457944 0.729412
247 3AT 0.457143 0.918919
248 9JJ 0.455782 0.864198
249 NWW 0.455556 0.763889
250 KAA 0.455357 0.755556
251 GSU 0.455357 0.802326
252 6MZ 0.454545 0.905405
253 S4M 0.454545 0.670455
254 NO7 0.453704 0.883117
255 NDC 0.452555 0.873418
256 XNP 0.452381 0.851852
257 4TA 0.452381 0.831325
258 SA8 0.451923 0.753086
259 FAY 0.451389 0.8875
260 NA0 0.451128 0.933333
261 NAJ PYZ 0.450382 0.809524
262 MAO 0.45 0.761905
263 DCA 0.449612 0.825581
264 ETB 0.449612 0.835294
265 NEC 0.44898 0.773333
266 AV2 0.448598 0.868421
267 B1U 0.448276 0.73913
268 YSA 0.448276 0.781609
269 RFL 0.448276 0.845238
270 38V 0.44697 0.864198
271 CUU 0.446602 0.918919
272 SFG 0.446602 0.776316
273 IMO 0.444444 0.878378
274 S7M 0.444444 0.73494
275 A3N 0.444444 0.766234
276 F2N 0.443709 0.816092
277 30N 0.443609 0.755319
278 SAM 0.443396 0.73494
279 DTP 0.443396 0.857143
280 ZAS 0.443299 0.746835
281 0T1 0.442748 0.825581
282 COA 0.442748 0.825581
283 J4G 0.442478 0.921053
284 7DT 0.442308 0.931507
285 7DD 0.441176 0.931507
286 7L1 0.440298 0.797753
287 P5F 0.44 0.847059
288 GJV 0.44 0.710843
289 K3K 0.439655 0.782051
290 EEM 0.439252 0.73494
291 A5D 0.438095 0.766234
292 ACO 0.437037 0.797753
293 NAP 0.43609 0.92
294 NAD CJ3 0.434483 0.813953
295 DSH 0.434343 0.707317
296 A3G 0.434343 0.802632
297 SAH 0.433962 0.769231
298 O02 0.433962 0.873418
299 SAI 0.433962 0.759494
300 PO4 PO4 A A A A PO4 0.433628 0.878378
301 AMX 0.432836 0.835294
302 1DG 0.432836 0.897436
303 COS 0.432836 0.806818
304 TAP 0.432836 0.860759
305 CAO 0.432836 0.797753
306 DG1 0.432836 0.897436
307 DAT 0.432692 0.857143
308 QXP 0.432432 0.767442
309 GEK 0.432432 0.7625
310 5AD 0.431818 0.75
311 2MC 0.431655 0.771739
312 N01 0.430769 0.932432
313 NAD BBN 0.430556 0.843373
314 CMX 0.42963 0.847059
315 SCO 0.42963 0.847059
316 7C5 0.428571 0.820513
317 SOP 0.427536 0.806818
318 RGT 0.42735 0.933333
319 FAM 0.426471 0.806818
320 FCX 0.426471 0.818182
321 KOY 0.42623 0.828947
322 AAT 0.425926 0.690476
323 N5A 0.425743 0.74026
324 NVA 2AD 0.424528 0.78481
325 LQJ 0.423729 0.893333
326 HAX 0.423358 0.806818
327 MHZ 0.423077 0.701149
328 NWQ 0.42268 0.767123
329 Z5A 0.422222 0.802326
330 FA9 0.422078 0.865854
331 2SA 0.422018 0.933333
332 4YB 0.421488 0.784091
333 CAJ 0.421429 0.827586
334 FYN 0.42029 0.825581
335 3KK 0.42029 0.806818
336 K3E 0.420168 0.772152
337 KGA 0.41958 0.765957
338 649 0.419355 0.747253
339 WSA 0.419355 0.790698
340 A3T 0.419048 0.849315
341 KGJ 0.41844 0.755319
342 V47 0.418182 0.810811
343 1CZ 0.417808 0.818182
344 COK 0.417266 0.806818
345 MCD 0.417266 0.827586
346 CA6 0.417266 0.731959
347 YZS 0.417266 0.731959
348 OXK 0.417266 0.827586
349 KGP 0.417266 0.731959
350 DDS 0.416667 0.831169
351 FAJ 0.416667 0.855422
352 6IA 0.416667 0.817073
353 8Q2 0.416 0.775281
354 0UM 0.415929 0.743902
355 MCA 0.415493 0.818182
356 CAA 0.415493 0.816092
357 G1R 0.414414 0.909091
358 NMX 0.414286 0.763441
359 CO6 0.414286 0.806818
360 CMC 0.414286 0.827586
361 1VU 0.414286 0.797753
362 PUA 0.413534 0.8625
363 A3S 0.413462 0.813333
364 A7D 0.413462 0.75641
365 MC4 0.412587 0.763441
366 C2R 0.412371 0.905405
367 AMZ 0.412371 0.891892
368 62X 0.412281 0.709302
369 SCD 0.411348 0.847059
370 GGZ 0.410714 0.804878
371 CA8 0.409722 0.731959
372 BYC 0.409722 0.806818
373 KFV 0.409722 0.739583
374 QXG 0.408696 0.758621
375 K15 0.408696 0.72619
376 3HC 0.408451 0.816092
377 A1S 0.408451 0.806818
378 1HE 0.408451 0.788889
379 BCO 0.408451 0.806818
380 MLC 0.408451 0.827586
381 IVC 0.408451 0.816092
382 71V 0.407767 0.860759
383 NMN AMP PO4 0.407692 0.871795
384 NHD 0.407692 0.906667
385 6C6 0.407407 0.835443
386 FAQ 0.406897 0.806818
387 12D 0.406504 0.767442
388 N5O 0.405941 0.766234
389 2VA 0.40566 0.826667
390 YE1 0.405594 0.816092
391 LCV 0.405594 0.742268
392 SO5 0.405594 0.742268
393 CO7 0.405594 0.806818
394 COO 0.405594 0.806818
395 R2V 0.405172 0.767442
396 YXS 0.402778 0.731959
397 2CP 0.402778 0.818182
398 YXR 0.402778 0.731959
399 SCA 0.402778 0.827586
400 SXZ 0.401709 0.756098
401 O05 0.401709 0.802326
402 J7V 0.40146 0.857143
403 2KQ 0.4 0.808989
404 1GZ 0.4 0.797753
405 HGG 0.4 0.827586
406 128 0.4 0.758621
407 K2W 0.4 0.722892
408 K3H 0.4 0.753086
409 COF 0.4 0.788889
410 IRC 0.4 0.816092
411 3CP 0.4 0.827586
412 NAD NDT 0.4 0.729167
413 Y9Z 0.4 0.833333
414 9BG 0.4 0.873418
415 COW 0.4 0.797753
Similar Ligands (3D)
Ligand no: 1; Ligand: LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: OAD; 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 : 1SZD; Ligand: APR; 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: 1szd.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1SZD; Ligand: APR; 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: 1szd.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1SZD; Ligand: APR; 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: 1szd.bio2) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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