Receptor
PDB id Resolution Class Description Source Keywords
4l2k 2.1 Å EC: 2.4.2.30 TANKYRASE 2 IN COMPLEX WITH 2-(1,3-BENZODIOXOL-5-YL)-4H-CHRO HOMO SAPIENS PROTEIN-LIGAND COMPLEX DIPHTHERIA TOXIN LIKE FOLD TRANSFERRIBOSYLATION TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF TANKYRASE INHIBITING FLAVONES WITH INC POTENCY AND ISOENZYME SELECTIVITY. J.MED.CHEM. V. 56 7880 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:1203;
B:1203;
B:1202;
A:1204;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ZN B:1201;
A:1202;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
1V8 B:1204;
A:1201;
 Valid;
Valid;
 none;
none;
 submit data
266.248 C16 H10 O4 c1ccc...
GOL C:1201;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5NWD 1.45 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF TNKS2 IN COMPLEX WITH 2-[4-(DIETHYLAMIN 3,4-DIHYDROQUINAZOLIN-4-ONE HOMO SAPIENS TANKYRASE INHIBITOR ARTD6 PARP5B ADP-RIBOSYLTRANSFERASETRANSFERASE
Ref.: 2-PHENYLQUINAZOLINONES AS DUAL-ACTIVITY TANKYRASE-K INHIBITORS. SCI REP V. 8 1680 2018
Members (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4L10 - A63 C16 H12 O3 COc1ccc(cc....
2 5NSP ic50 = 0.34 uM 97E C26 H15 Cl N8 O c1ccc(c(c1....
3 5NWC ic50 = 700 nM 9CE C14 H11 N3 O c1ccc(c(c1....
4 4L33 - F70 C18 H11 N O4 c1ccc2c(c1....
5 4UI4 ic50 = 45 nM RJN C23 H19 N3 O3 c1ccc(cc1)....
6 5NWB ic50 = 16 nM 9C5 C17 H17 N3 O2 CN(CCO)c1c....
7 5NVC ic50 = 650 nM 9AN C14 H10 N2 O2 c1ccc2c(c1....
8 4KZQ - DFL C15 H12 O3 c1ccc2c(c1....
9 4L2K - 1V8 C16 H10 O4 c1ccc2c(c1....
10 5NT0 ic50 = 280 nM 97H C14 H11 N3 O c1ccc2c(c1....
11 4UI6 ic50 = 87 nM ECZ C16 H11 F3 N2 O2 COc1cccc2c....
12 4UI8 ic50 = 25 nM IY5 C15 H9 F3 N2 O2 c1cc2c(c(c....
13 4L0V - 1V1 C15 H9 Cl O2 c1ccc2c(c1....
14 4L31 - F08 C17 H12 O4 COC(=O)c1c....
15 5NVH ic50 = 15 nM 9B2 C19 H19 N3 O c1ccc2c(c1....
16 4L2F - 1V3 C15 H9 Cl O2 c1ccc(cc1)....
17 4UI3 ic50 = 133 nM 06R C15 H9 F3 N2 O c1ccc2c(c1....
18 4KZU - A73 C15 H9 Br O2 c1ccc2c(c1....
19 4UVP - NGJ C11 H12 N2 O CCC1=Cc2c(....
20 5ADS ic50 = 2.15 uM QNS C25 H25 Cl N2 O5 COc1ccc(cc....
21 5NVF ic50 = 16 nM 9AW C19 H13 N3 O c1ccc2c(c1....
22 5ADR ic50 = 2.3 uM QS5 C26 H28 N2 O5 Cc1ccc(o1)....
23 5NWG ic50 = 660 nM 9CB C17 H16 Cl N3 O2 CN(CCO)c1c....
24 4L09 - 1UR C16 H10 O4 c1ccc2c(c1....
25 4L34 - 1VG C16 H10 N4 O2 c1ccc2c(c1....
26 4L0S - 1UZ C16 H9 N O2 c1ccc2c(c1....
27 5NSX ic50 = 400 nM 97K C15 H10 N4 O c1ccc2c(c1....
28 4UI5 ic50 = 167 nM BJ4 C16 H14 N2 O2 Cc1ccc(cc1....
29 5ADQ ic50 = 2.01 uM A95 C25 H26 N2 O5 COc1ccc(cc....
30 5NT4 ic50 = 17 nM 97Z C18 H17 N3 O2 c1ccc2c(c1....
31 4UI7 ic50 = 44 nM VT3 C15 H12 N2 O2 Cc1ccc(cc1....
32 5NWD ic50 = 10 nM 9C8 C18 H19 N3 O CCN(CC)c1c....
33 4L0T ic50 = 140 nM 1V0 C15 H9 N O4 c1ccc2c(c1....
34 5ADT ic50 = 2.23 uM 1TC C25 H26 Cl N3 O5 Cc1ncc(o1)....
35 5NXE - 9D5 C17 H19 N3 O2 CN(CCO)c1c....
36 4L0I - 1UW C18 H14 O4 CCOC(=O)c1....
37 4L0B - 1UT C17 H15 N O2 CN(C)c1ccc....
38 4L32 - 1VF C21 H20 N2 O3 CN1CCN(CC1....
39 5NVE ic50 = 35 nM 9AQ C16 H14 N2 O2 CCOc1ccc(c....
40 4L2G - 1V4 C15 H9 F O2 c1ccc(cc1)....
41 4KZL - 20D C15 H9 F O2 c1ccc2c(c1....
70% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4L10 - A63 C16 H12 O3 COc1ccc(cc....
2 5NSP ic50 = 0.34 uM 97E C26 H15 Cl N8 O c1ccc(c(c1....
3 5NWC ic50 = 700 nM 9CE C14 H11 N3 O c1ccc(c(c1....
4 4L33 - F70 C18 H11 N O4 c1ccc2c(c1....
5 4UI4 ic50 = 45 nM RJN C23 H19 N3 O3 c1ccc(cc1)....
6 5NWB ic50 = 16 nM 9C5 C17 H17 N3 O2 CN(CCO)c1c....
7 5NVC ic50 = 650 nM 9AN C14 H10 N2 O2 c1ccc2c(c1....
8 4KZQ - DFL C15 H12 O3 c1ccc2c(c1....
9 4L2K - 1V8 C16 H10 O4 c1ccc2c(c1....
10 5NT0 ic50 = 280 nM 97H C14 H11 N3 O c1ccc2c(c1....
11 4UI6 ic50 = 87 nM ECZ C16 H11 F3 N2 O2 COc1cccc2c....
12 4UI8 ic50 = 25 nM IY5 C15 H9 F3 N2 O2 c1cc2c(c(c....
13 4L0V - 1V1 C15 H9 Cl O2 c1ccc2c(c1....
14 4L31 - F08 C17 H12 O4 COC(=O)c1c....
15 5NVH ic50 = 15 nM 9B2 C19 H19 N3 O c1ccc2c(c1....
16 4L2F - 1V3 C15 H9 Cl O2 c1ccc(cc1)....
17 4UI3 ic50 = 133 nM 06R C15 H9 F3 N2 O c1ccc2c(c1....
18 4KZU - A73 C15 H9 Br O2 c1ccc2c(c1....
19 4UVP - NGJ C11 H12 N2 O CCC1=Cc2c(....
20 5ADS ic50 = 2.15 uM QNS C25 H25 Cl N2 O5 COc1ccc(cc....
21 5NVF ic50 = 16 nM 9AW C19 H13 N3 O c1ccc2c(c1....
22 5ADR ic50 = 2.3 uM QS5 C26 H28 N2 O5 Cc1ccc(o1)....
23 5NWG ic50 = 660 nM 9CB C17 H16 Cl N3 O2 CN(CCO)c1c....
24 4L09 - 1UR C16 H10 O4 c1ccc2c(c1....
25 4L34 - 1VG C16 H10 N4 O2 c1ccc2c(c1....
26 4L0S - 1UZ C16 H9 N O2 c1ccc2c(c1....
27 5NSX ic50 = 400 nM 97K C15 H10 N4 O c1ccc2c(c1....
28 4UI5 ic50 = 167 nM BJ4 C16 H14 N2 O2 Cc1ccc(cc1....
29 5ADQ ic50 = 2.01 uM A95 C25 H26 N2 O5 COc1ccc(cc....
30 5NT4 ic50 = 17 nM 97Z C18 H17 N3 O2 c1ccc2c(c1....
31 4UI7 ic50 = 44 nM VT3 C15 H12 N2 O2 Cc1ccc(cc1....
32 5NWD ic50 = 10 nM 9C8 C18 H19 N3 O CCN(CC)c1c....
33 4L0T ic50 = 140 nM 1V0 C15 H9 N O4 c1ccc2c(c1....
34 5ADT ic50 = 2.23 uM 1TC C25 H26 Cl N3 O5 Cc1ncc(o1)....
35 5NXE - 9D5 C17 H19 N3 O2 CN(CCO)c1c....
36 4L0I - 1UW C18 H14 O4 CCOC(=O)c1....
37 4L0B - 1UT C17 H15 N O2 CN(C)c1ccc....
38 4L32 - 1VF C21 H20 N2 O3 CN1CCN(CC1....
39 5NVE ic50 = 35 nM 9AQ C16 H14 N2 O2 CCOc1ccc(c....
40 4L2G - 1V4 C15 H9 F O2 c1ccc(cc1)....
41 4KZL - 20D C15 H9 F O2 c1ccc2c(c1....
42 5ZQP ic50 = 18.3 nM 9H3 C20 H21 N3 O3 c1ccc2c(c1....
43 5ZQQ - 9H6 C21 H24 N4 O2 CN1c2ccccc....
44 5ZQO ic50 = 19.4 nM 9GX C19 H24 N4 O2 COc1ccccc1....
45 6A84 ic50 = 5.3 nM 9SU C20 H23 Cl N4 O c1cc2c(c(c....
46 5ZQR ic50 = 10.6 nM 9H9 C22 H26 F2 N4 O2 c1c(cc(c2c....
47 6KRO ic50 = 39.2 nM DU9 C27 H35 F N6 O3 C[C@@H]1CN....
50% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4L10 - A63 C16 H12 O3 COc1ccc(cc....
2 5NSP ic50 = 0.34 uM 97E C26 H15 Cl N8 O c1ccc(c(c1....
3 5NWC ic50 = 700 nM 9CE C14 H11 N3 O c1ccc(c(c1....
4 4L33 - F70 C18 H11 N O4 c1ccc2c(c1....
5 4UI4 ic50 = 45 nM RJN C23 H19 N3 O3 c1ccc(cc1)....
6 5NWB ic50 = 16 nM 9C5 C17 H17 N3 O2 CN(CCO)c1c....
7 5NVC ic50 = 650 nM 9AN C14 H10 N2 O2 c1ccc2c(c1....
8 4KZQ - DFL C15 H12 O3 c1ccc2c(c1....
9 4L2K - 1V8 C16 H10 O4 c1ccc2c(c1....
10 5NT0 ic50 = 280 nM 97H C14 H11 N3 O c1ccc2c(c1....
11 4UI6 ic50 = 87 nM ECZ C16 H11 F3 N2 O2 COc1cccc2c....
12 4UI8 ic50 = 25 nM IY5 C15 H9 F3 N2 O2 c1cc2c(c(c....
13 4L0V - 1V1 C15 H9 Cl O2 c1ccc2c(c1....
14 4L31 - F08 C17 H12 O4 COC(=O)c1c....
15 5NVH ic50 = 15 nM 9B2 C19 H19 N3 O c1ccc2c(c1....
16 4L2F - 1V3 C15 H9 Cl O2 c1ccc(cc1)....
17 4UI3 ic50 = 133 nM 06R C15 H9 F3 N2 O c1ccc2c(c1....
18 4KZU - A73 C15 H9 Br O2 c1ccc2c(c1....
19 4UVP - NGJ C11 H12 N2 O CCC1=Cc2c(....
20 5ADS ic50 = 2.15 uM QNS C25 H25 Cl N2 O5 COc1ccc(cc....
21 5NVF ic50 = 16 nM 9AW C19 H13 N3 O c1ccc2c(c1....
22 5ADR ic50 = 2.3 uM QS5 C26 H28 N2 O5 Cc1ccc(o1)....
23 5NWG ic50 = 660 nM 9CB C17 H16 Cl N3 O2 CN(CCO)c1c....
24 4L09 - 1UR C16 H10 O4 c1ccc2c(c1....
25 4L34 - 1VG C16 H10 N4 O2 c1ccc2c(c1....
26 4L0S - 1UZ C16 H9 N O2 c1ccc2c(c1....
27 5NSX ic50 = 400 nM 97K C15 H10 N4 O c1ccc2c(c1....
28 4UI5 ic50 = 167 nM BJ4 C16 H14 N2 O2 Cc1ccc(cc1....
29 5ADQ ic50 = 2.01 uM A95 C25 H26 N2 O5 COc1ccc(cc....
30 5NT4 ic50 = 17 nM 97Z C18 H17 N3 O2 c1ccc2c(c1....
31 4UI7 ic50 = 44 nM VT3 C15 H12 N2 O2 Cc1ccc(cc1....
32 5NWD ic50 = 10 nM 9C8 C18 H19 N3 O CCN(CC)c1c....
33 4L0T ic50 = 140 nM 1V0 C15 H9 N O4 c1ccc2c(c1....
34 5ADT ic50 = 2.23 uM 1TC C25 H26 Cl N3 O5 Cc1ncc(o1)....
35 5NXE - 9D5 C17 H19 N3 O2 CN(CCO)c1c....
36 4L0I - 1UW C18 H14 O4 CCOC(=O)c1....
37 4L0B - 1UT C17 H15 N O2 CN(C)c1ccc....
38 4L32 - 1VF C21 H20 N2 O3 CN1CCN(CC1....
39 5NVE ic50 = 35 nM 9AQ C16 H14 N2 O2 CCOc1ccc(c....
40 4L2G - 1V4 C15 H9 F O2 c1ccc(cc1)....
41 4KZL - 20D C15 H9 F O2 c1ccc2c(c1....
42 5ZQP ic50 = 18.3 nM 9H3 C20 H21 N3 O3 c1ccc2c(c1....
43 5ZQQ - 9H6 C21 H24 N4 O2 CN1c2ccccc....
44 5ZQO ic50 = 19.4 nM 9GX C19 H24 N4 O2 COc1ccccc1....
45 6A84 ic50 = 5.3 nM 9SU C20 H23 Cl N4 O c1cc2c(c(c....
46 5ZQR ic50 = 10.6 nM 9H9 C22 H26 F2 N4 O2 c1c(cc(c2c....
47 6KRO ic50 = 39.2 nM DU9 C27 H35 F N6 O3 C[C@@H]1CN....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1V8; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 1V8 1 1
2 1V1 0.533333 0.605263
3 A73 0.533333 0.605263
4 20D 0.533333 0.605263
5 A63 0.52459 0.648649
6 1UZ 0.507937 0.621622
7 A64 0.507937 0.621622
8 1UR 0.5 0.722222
9 F08 0.492537 0.684211
10 1UW 0.464789 0.717949
11 F70 0.421053 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: 1V8; Similar ligands found: 570
No: Ligand Similarity coefficient
1 97K 1.0000
2 08C 0.9663
3 1V0 0.9641
4 27F 0.9627
5 6BK 0.9580
6 8M5 0.9579
7 RGK 0.9563
8 1UT 0.9550
9 F36 0.9548
10 338 0.9531
11 DFL 0.9526
12 NKI 0.9522
13 WG8 0.9507
14 IDZ 0.9486
15 LU2 0.9450
16 7LU 0.9449
17 SZ5 0.9430
18 5WW 0.9428
19 O9Z 0.9426
20 WLH 0.9426
21 MR4 0.9424
22 3F4 0.9422
23 6JM 0.9412
24 FSE 0.9404
25 XAV 0.9395
26 25F 0.9393
27 NAR 0.9392
28 O53 0.9383
29 7G2 0.9380
30 AGI 0.9366
31 797 0.9365
32 MRE 0.9364
33 E9L 0.9364
34 2ZI 0.9364
35 U14 0.9362
36 4ZF 0.9362
37 0NJ 0.9350
38 G2V 0.9346
39 91F 0.9335
40 QUE 0.9334
41 DFV 0.9333
42 041 0.9332
43 6JP 0.9328
44 29F 0.9323
45 TVC 0.9321
46 7FZ 0.9317
47 Q92 0.9315
48 M3W 0.9312
49 MHB 0.9311
50 DH2 0.9310
51 GN5 0.9301
52 CR4 0.9297
53 801 0.9294
54 121 0.9294
55 BMZ 0.9290
56 VT3 0.9280
57 Q2S 0.9277
58 UAY 0.9276
59 124 0.9274
60 LI7 0.9270
61 5ER 0.9270
62 GEN 0.9265
63 272 0.9262
64 MR5 0.9257
65 T21 0.9256
66 06R 0.9245
67 3WK 0.9239
68 IY5 0.9238
69 AO 0.9235
70 L2K 0.9234
71 X2L 0.9234
72 196 0.9231
73 CDJ 0.9230
74 H2W 0.9230
75 ZTW 0.9224
76 1V3 0.9218
77 MYC 0.9215
78 68C 0.9208
79 Q7U 0.9205
80 CWE 0.9204
81 J8D 0.9204
82 697 0.9204
83 122 0.9198
84 XYP XYP 0.9197
85 9CE 0.9195
86 P4T 0.9195
87 F40 0.9191
88 1V4 0.9190
89 TH1 0.9189
90 FL8 0.9186
91 OUA 0.9184
92 O9T 0.9183
93 53X 0.9182
94 OSY 0.9179
95 W2E 0.9176
96 UN9 0.9176
97 120 0.9170
98 TVZ 0.9170
99 JNW 0.9169
100 FNT 0.9167
101 U12 0.9159
102 9JT 0.9159
103 3JC 0.9158
104 802 0.9154
105 MBT 0.9149
106 U4J 0.9146
107 T5J 0.9146
108 6FX 0.9145
109 O9Q 0.9142
110 3WL 0.9142
111 D64 0.9142
112 CMG 0.9142
113 47X 0.9141
114 0DJ 0.9137
115 NU3 0.9136
116 1HP 0.9136
117 AV6 0.9136
118 5VU 0.9134
119 397 0.9131
120 XYS XYS 0.9131
121 HCC 0.9126
122 BRY 0.9125
123 LUM 0.9124
124 3Q0 0.9122
125 W8L 0.9122
126 1FL 0.9121
127 7L4 0.9119
128 6B5 0.9119
129 581 0.9113
130 H32 0.9109
131 KMP 0.9109
132 31F 0.9107
133 XEV 0.9106
134 DDC 0.9102
135 U13 0.9097
136 IMK 0.9097
137 2QU 0.9096
138 5E1 0.9095
139 A45 0.9093
140 8E3 0.9093
141 3D8 0.9089
142 4YE 0.9087
143 AV7 0.9086
144 AX1 0.9081
145 IXM 0.9080
146 40N 0.9076
147 6QT 0.9076
148 135 0.9071
149 38E 0.9071
150 M83 0.9069
151 18E 0.9066
152 4YF 0.9066
153 PJK 0.9064
154 X8I 0.9063
155 DMB 0.9062
156 6XC 0.9062
157 47V 0.9060
158 5TU 0.9056
159 SGW 0.9055
160 C0V 0.9055
161 6DQ 0.9054
162 BUX 0.9053
163 QC1 0.9052
164 YE7 0.9052
165 245 0.9052
166 MYU 0.9052
167 BBP 0.9049
168 B4L 0.9048
169 GF7 0.9044
170 SAK 0.9042
171 1XS 0.9041
172 C4E 0.9040
173 QS4 0.9040
174 MT6 0.9036
175 AVX 0.9036
176 HRD 0.9034
177 MR6 0.9032
178 907 0.9032
179 5ZM 0.9030
180 S98 0.9026
181 1R5 0.9026
182 CX6 0.9025
183 IRH 0.9024
184 WDW 0.9023
185 JCQ 0.9011
186 LZ7 0.9011
187 1Q4 0.9010
188 57D 0.9009
189 7FC 0.9008
190 5BX 0.9004
191 DQH 0.9002
192 3GX 0.9001
193 3TI 0.9000
194 TFX 0.8999
195 8EC 0.8998
196 6H2 0.8995
197 205 0.8994
198 M16 0.8993
199 J5Z 0.8993
200 334 0.8992
201 IDD 0.8991
202 NIF 0.8989
203 3WN 0.8988
204 3WO 0.8988
205 EQU 0.8988
206 BXS 0.8988
207 2WU 0.8987
208 BER 0.8987
209 VM7 0.8986
210 EEY 0.8986
211 BZC 0.8982
212 LR2 0.8980
213 HWB 0.8977
214 5P7 0.8976
215 OUG 0.8976
216 5E2 0.8975
217 EDZ 0.8974
218 IPJ 0.8974
219 STL 0.8974
220 D59 0.8972
221 BJ4 0.8970
222 Z3R 0.8970
223 PIQ 0.8969
224 83D 0.8967
225 H75 0.8965
226 SJR 0.8965
227 NRA 0.8964
228 ZAR 0.8964
229 LIG 0.8964
230 Q0K 0.8961
231 AP6 0.8958
232 CZ0 0.8957
233 JRO 0.8957
234 738 0.8957
235 ZRL 0.8957
236 2J1 0.8956
237 123 0.8952
238 F1T 0.8951
239 EST 0.8950
240 HH6 0.8949
241 7DE 0.8947
242 A9E 0.8946
243 SLX 0.8946
244 FY8 0.8946
245 28A 0.8943
246 P4L 0.8942
247 MRI 0.8942
248 0SY 0.8941
249 5OR 0.8939
250 244 0.8939
251 23M 0.8936
252 5XM 0.8936
253 LJ1 0.8935
254 A9B 0.8935
255 A05 0.8934
256 3G5 0.8934
257 CBE 0.8933
258 WCU 0.8933
259 FZB 0.8933
260 4P9 0.8932
261 1DR 0.8931
262 9C8 0.8930
263 F18 0.8928
264 8E6 0.8926
265 6VW 0.8923
266 S1C 0.8920
267 IIH 0.8920
268 ECZ 0.8919
269 AZB 0.8919
270 JFS 0.8914
271 LJ5 0.8911
272 39R 0.8909
273 6QX 0.8907
274 OLU 0.8907
275 J2W 0.8905
276 4KN 0.8904
277 X2M 0.8903
278 SDN 0.8903
279 DX8 0.8900
280 CUE 0.8899
281 HUL 0.8899
282 4DE 0.8898
283 6WL 0.8898
284 NKH 0.8896
285 ZRK 0.8896
286 2QV 0.8896
287 II4 0.8893
288 2UV 0.8891
289 Q4G 0.8891
290 72H 0.8889
291 2Q0 0.8889
292 J45 0.8889
293 PNJ 0.8889
294 IEE 0.8886
295 NVS 0.8886
296 BSU 0.8884
297 EES 0.8883
298 LJ2 0.8883
299 7EH 0.8883
300 QUG 0.8882
301 XDL XYP 0.8878
302 4CN 0.8876
303 6JO 0.8875
304 SQM 0.8875
305 0UL 0.8874
306 JKN 0.8872
307 PNW 0.8872
308 6F3 0.8871
309 AOY 0.8870
310 36K 0.8870
311 J3Z 0.8870
312 ECS 0.8869
313 A8D 0.8867
314 B7H 0.8867
315 6TJ 0.8866
316 7ZO 0.8866
317 XYP XIM 0.8865
318 DN8 0.8864
319 OT4 0.8863
320 ZEA 0.8863
321 EMU 0.8860
322 FLF 0.8859
323 4GU 0.8859
324 ICD 0.8859
325 Q11 0.8858
326 DX2 0.8857
327 KXN 0.8856
328 6X1 0.8856
329 WST 0.8854
330 ESL 0.8854
331 4HG 0.8853
332 5Z5 0.8853
333 1EL 0.8850
334 BU7 0.8849
335 MBP 0.8848
336 RF2 0.8848
337 IW1 0.8848
338 IW4 0.8845
339 XYS XYP 0.8844
340 XZ1 0.8844
341 N5B 0.8844
342 2OX 0.8842
343 4AU 0.8841
344 OAK 0.8840
345 JCZ 0.8840
346 AHR AHR 0.8839
347 AV4 0.8836
348 NAB 0.8830
349 M3F 0.8830
350 NTI 0.8829
351 E98 0.8827
352 J8G 0.8827
353 DXK 0.8825
354 FHV 0.8823
355 I0G 0.8822
356 DX7 0.8822
357 JF8 0.8821
358 5NN 0.8820
359 UN4 0.8820
360 ESJ 0.8820
361 NBZ GLA 0.8817
362 LC1 0.8816
363 ESZ 0.8814
364 YE6 0.8812
365 H0V 0.8811
366 CMP 0.8810
367 EBB 0.8810
368 4YC 0.8808
369 4L2 0.8807
370 3Q1 0.8807
371 0DF 0.8806
372 2P3 0.8803
373 ATU 0.8803
374 E92 0.8803
375 8KW 0.8800
376 ESR 0.8798
377 4K2 0.8798
378 100 0.8798
379 PIT 0.8796
380 QDR 0.8793
381 DEH 0.8793
382 ESM 0.8787
383 IW3 0.8787
384 5XL 0.8785
385 NW1 0.8785
386 NQE 0.8783
387 MHD GAL 0.8782
388 BGC BGC 0.8781
389 JSX 0.8781
390 QRP 0.8780
391 AOM 0.8780
392 73E 0.8779
393 LFN 0.8778
394 WA1 0.8777
395 MXM 0.8776
396 A26 0.8776
397 5EZ 0.8775
398 4UM 0.8773
399 3MI 0.8770
400 FBC 0.8767
401 4FF 0.8765
402 L5D 0.8765
403 5DE 0.8762
404 AOB 0.8759
405 AUY 0.8759
406 BUN 0.8758
407 5B2 0.8758
408 5LP 0.8757
409 7G0 0.8757
410 5WK 0.8757
411 KTV 0.8757
412 IQQ 0.8753
413 6T5 0.8751
414 4FC 0.8750
415 0MB 0.8750
416 JMM 0.8744
417 57U 0.8743
418 833 0.8743
419 1VG 0.8742
420 Q5M 0.8742
421 GQZ 0.8740
422 R18 0.8739
423 NE2 0.8738
424 F13 0.8738
425 103 0.8737
426 62D 0.8736
427 XIL 0.8735
428 NXB 0.8733
429 KHP 0.8733
430 NFL 0.8733
431 5SD 0.8732
432 5DN 0.8732
433 0X2 0.8731
434 IGP 0.8730
435 CX5 0.8730
436 2D2 0.8730
437 WF4 0.8730
438 F38 0.8730
439 108 0.8729
440 2JX 0.8729
441 SNJ 0.8728
442 LMZ 0.8727
443 ISX 0.8727
444 BX4 0.8719
445 T61 0.8717
446 XDN XYP 0.8717
447 XYP XDN 0.8717
448 P34 0.8716
449 136 0.8716
450 5CJ 0.8715
451 H4B 0.8715
452 5E5 0.8714
453 3RL 0.8713
454 MQS 0.8713
455 S0D 0.8707
456 SAU 0.8705
457 LWA 0.8705
458 PCQ 0.8705
459 DHT 0.8705
460 5CK 0.8703
461 QKU 0.8701
462 NXY 0.8701
463 VXP 0.8701
464 609 0.8700
465 A6W 0.8698
466 0K7 0.8698
467 4G2 0.8697
468 EAT 0.8697
469 1Q2 0.8697
470 IW5 0.8696
471 MJW 0.8694
472 NAL 0.8693
473 IK1 0.8691
474 9YD 0.8688
475 K0G 0.8688
476 6WU 0.8685
477 RNP 0.8685
478 2GE 0.8684
479 GJB 0.8679
480 BNY 0.8679
481 AQN 0.8676
482 3K1 0.8676
483 3Q2 0.8676
484 NDD 0.8671
485 8SK 0.8671
486 0OK 0.8670
487 TES 0.8670
488 Q9T 0.8670
489 PNG 0.8669
490 79X 0.8668
491 1Q1 0.8667
492 E2N 0.8665
493 IW2 0.8664
494 DTQ 0.8661
495 1UA 0.8659
496 R4E 0.8658
497 AZN 0.8657
498 S1D 0.8656
499 D26 0.8654
500 D4O 0.8653
501 Y27 0.8651
502 E8Z 0.8650
503 VBC 0.8649
504 21E 0.8648
505 17M 0.8647
506 GWD 0.8646
507 2PV 0.8646
508 SNP 0.8644
509 H35 0.8643
510 35K 0.8643
511 FXE 0.8641
512 YZ9 0.8640
513 WA2 0.8638
514 6MY 0.8636
515 1YL 0.8636
516 1CE 0.8633
517 AXX 0.8631
518 GA6 0.8630
519 0LA 0.8626
520 U55 0.8626
521 IKY 0.8622
522 8HH 0.8621
523 OSJ 0.8620
524 6EN 0.8616
525 DT7 0.8614
526 AOX 0.8613
527 S13 0.8612
528 9X0 0.8612
529 7EL 0.8611
530 ASD 0.8611
531 E6Q 0.8608
532 S60 0.8607
533 39Z 0.8607
534 789 0.8607
535 M08 0.8606
536 4QX 0.8606
537 BGU 0.8606
538 UL1 0.8605
539 6ZE 0.8604
540 9Y8 0.8603
541 28B 0.8602
542 2PK 0.8601
543 RE2 0.8600
544 N4N 0.8600
545 BGC GAL 0.8597
546 1SX 0.8595
547 58N 0.8594
548 GAL PHB 0.8592
549 GAL BGC 0.8591
550 72G 0.8588
551 55H 0.8587
552 26C 0.8585
553 D25 0.8580
554 ZIP 0.8580
555 78Y 0.8580
556 HRM 0.8579
557 9EG 0.8579
558 GW9 0.8572
559 AON 0.8571
560 KN1 0.8570
561 T34 0.8568
562 0H5 0.8568
563 JVD 0.8562
564 CWB 0.8557
565 CG 0.8557
566 CHQ 0.8553
567 J2N 0.8544
568 KLV 0.8543
569 VGV 0.8537
570 CJN 0.8526
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5NWD; Ligand: 9C8; 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: 5nwd.bio2) has 76 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5NWD; Ligand: 9C8; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 5nwd.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 6W65 T9D 36.7347
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