Receptor
PDB id Resolution Class Description Source Keywords
5AQW 1.53 Å EC: 3.6.1.3 FRAGMENT-BASED SCREENING OF HSP70 SHEDS LIGHT ON THE FUNCTIO OF ATP-BINDING SITE RESIDUES HOMO SAPIENS HEAT SHOCK PROTEIN HSP70 HSP72 HSC70 ATPASE BAG1 CHAPEFRAGMENT
Ref.: A FRAGMENT-BASED APPROACH APPLIED TO A HIGHLY FLEXI TARGET: INSIGHTS AND CHALLENGES TOWARDS THE INHIBIT HSP70 ISOFORMS. SCI REP V. 6 34701 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1390;
A:1394;
A:1393;
A:1392;
A:1398;
A:1391;
A:1389;
A:1388;
A:1396;
A:1395;
A:1399;
A:1397;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
PO4 A:1386;
 Invalid;
 none;
 submit data
94.971 O4 P [O-]P...
MG A:1400;
 Invalid;
 none;
 submit data
24.305 Mg [Mg+2...
DTV A:1387;
 Invalid;
 none;
 submit data
154.251 C4 H10 O2 S2 C([C@...
5P7 A:1385;
 Valid;
 none;
 submit data
275.303 C14 H17 N3 O3 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AR0 1.9 Å EC: 3.6.1.3 HSP72 WITH ADENOSINE-DERIVED INHIBITOR HOMO SAPIENS HEAT SHOCK PROTEIN HSP70 HSP72 ATPASE CHAPERONE ADENOSIINHIBITOR
Ref.: EXPLOITING PROTEIN CONFORMATIONAL CHANGE TO OPTIMIZ ADENOSINE-DERIVED INHIBITORS OF HSP70. J.MED.CHEM. V. 59 4625 2016
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 6ZYI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1HJO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 6G3S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 6FHK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 3AY9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 5AQX - KC7 C21 H23 N3 O4 c1ccc(cc1)....
7 5MKR Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
8 5AR0 Kd = 720 nM GB8 C20 H21 N7 O4 c1cc2cc(cc....
9 5AQW - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
10 5MKS Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
11 3ATU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 1S3X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 5AQZ Kd = 3.3 uM SGV C12 H15 N5 O5 c1c(c2c(nc....
14 2E8A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
15 3ATV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 5AQY - ADN C10 H13 N5 O4 c1nc(c2c(n....
70% Homology Family (74)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 5EY4 Kd = 0.00075 M DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 5EX5 - 7DD C11 H16 N4 O10 P2 c1cn(c2c1c....
3 5F1X Kd = 0.000000064 M ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3LDP Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
5 5F2R Kd = 0.000052 M ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 5EXW Kd = 0.000000064 M 7DT C11 H17 N4 O13 P3 c1cn(c2c1c....
7 3LDO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 5EVZ Kd = 0.000000064 M ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3LDL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 5F0X - DAT C10 H15 N5 O9 P2 c1nc(c2c(n....
11 3IUC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 6ZYH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 3GDQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 3JXU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 6G3R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 6P2U - NO7 C13 H17 N5 O10 P2 C#CCNc1c2c....
17 1KAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 1QQN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 1NGH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 1ATR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1NGC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
22 1NGF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
23 1BA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 3HSC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 1BA0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 1QQO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 2QWL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 1NGG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
29 6B1I - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 1ATS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 1NGJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
32 1NGE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
33 1KAY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
34 1BUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 1QQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 6ZYJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 6B1N - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
38 1KAX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
39 1NGD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 2QWM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 2BUP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
42 1NGA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
43 4H5T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 1NGI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
45 6B1M - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
46 1HPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
47 1NGB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
48 5FPM - IWT C8 H6 N2 O S c1ccc(cc1)....
49 5FPE - 3TR C2 H4 N4 c1[nH]nc(n....
50 3I33 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
51 5FPD - PZA C5 H5 N3 O c1cnc(cn1)....
52 3FE1 - ADP MG n/a n/a
53 6ZYI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
54 1HJO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
55 6G3S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
56 6FHK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
57 3AY9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
58 5AQX - KC7 C21 H23 N3 O4 c1ccc(cc1)....
59 5MKR Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
60 5AR0 Kd = 720 nM GB8 C20 H21 N7 O4 c1cc2cc(cc....
61 5AQW - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
62 5MKS Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
63 3ATU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
64 1S3X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
65 5AQZ Kd = 3.3 uM SGV C12 H15 N5 O5 c1c(c2c(nc....
66 2E8A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
67 3ATV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
68 5AQY - ADN C10 H13 N5 O4 c1nc(c2c(n....
69 7A4V - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70 6EOE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
71 6EOF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
72 3QFU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
73 6RZQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
74 6S02 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (85)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 5EY4 Kd = 0.00075 M DTP C10 H16 N5 O12 P3 c1nc(c2c(n....
2 5EX5 - 7DD C11 H16 N4 O10 P2 c1cn(c2c1c....
3 5F1X Kd = 0.000000064 M ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3LDP Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
5 5F2R Kd = 0.000052 M ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
6 5EXW Kd = 0.000000064 M 7DT C11 H17 N4 O13 P3 c1cn(c2c1c....
7 3LDO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 5EVZ Kd = 0.000000064 M ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3LDL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 5F0X - DAT C10 H15 N5 O9 P2 c1nc(c2c(n....
11 3IUC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 6ZYH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 3GDQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
14 3JXU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 6G3R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 6P2U - NO7 C13 H17 N5 O10 P2 C#CCNc1c2c....
17 2V7Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 1KAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 1QQN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 1NGH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
21 1ATR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
22 1NGC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 1NGF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
24 1BA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 3HSC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 1BA0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 1QQO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
28 2QWL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1NGG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
30 6B1I - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 1ATS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
32 1NGJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
33 1NGE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
34 1KAY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
35 1BUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 1QQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 6ZYJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
38 6B1N - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
39 1KAX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
40 1NGD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 2QWM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 2BUP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
43 1NGA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 4H5T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
45 1NGI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
46 6B1M - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
47 1HPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
48 1NGB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 5FPM - IWT C8 H6 N2 O S c1ccc(cc1)....
50 5FPE - 3TR C2 H4 N4 c1[nH]nc(n....
51 3I33 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
52 5FPD - PZA C5 H5 N3 O c1cnc(cn1)....
53 6GFA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
54 6ASY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
55 3FE1 - ADP MG n/a n/a
56 4GNI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
57 6ZYI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
58 1HJO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
59 6G3S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
60 6FHK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
61 3AY9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
62 5AQX - KC7 C21 H23 N3 O4 c1ccc(cc1)....
63 5MKR Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
64 5AR0 Kd = 720 nM GB8 C20 H21 N7 O4 c1cc2cc(cc....
65 5AQW - 5P7 C14 H17 N3 O3 c1ccc2c(c1....
66 5MKS Ki = 17 uM TI8 C22 H25 Cl N6 O5 C=CC(=O)OC....
67 3ATU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
68 1S3X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
69 5AQZ Kd = 3.3 uM SGV C12 H15 N5 O5 c1c(c2c(nc....
70 2E8A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
71 3ATV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
72 5AQY - ADN C10 H13 N5 O4 c1nc(c2c(n....
73 4JN4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
74 4JNE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
75 7A4V - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
76 6EOE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
77 6EOF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
78 5OBY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
79 5OBW - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
80 5OBV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
81 5OBU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
82 5FPN - KYD C6 H8 N2 O2 Cc1c(c(n[n....
83 3QFU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
84 6RZQ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
85 6S02 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 5P7; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 5P7 1 1
2 UX0 0.513514 0.907407
3 KC7 0.447059 0.942308
Similar Ligands (3D)
Ligand no: 1; Ligand: 5P7; Similar ligands found: 297
No: Ligand Similarity coefficient
1 3WO 0.9240
2 3WN 0.9240
3 B4L 0.9194
4 26A 0.9189
5 EMU 0.9181
6 ZJB 0.9177
7 LI4 0.9161
8 DIH 0.9137
9 IM5 0.9120
10 C1Y 0.9119
11 NOS 0.9117
12 UN4 0.9114
13 1Q4 0.9073
14 FNA 0.9064
15 NQ7 0.9054
16 2QU 0.8994
17 FMC 0.8994
18 ADN 0.8992
19 AD3 0.8988
20 TVC 0.8987
21 TBN 0.8978
22 OUA 0.8977
23 1V8 0.8976
24 MHD GAL 0.8969
25 IMQ 0.8967
26 7GP 0.8966
27 AHR AHR 0.8959
28 5BX 0.8957
29 F40 0.8955
30 4GU 0.8953
31 Q2S 0.8949
32 H35 0.8947
33 6MD 0.8940
34 6XC 0.8939
35 IMH 0.8938
36 WLH 0.8936
37 ISX 0.8935
38 NKI 0.8931
39 XYP XYP 0.8926
40 MTP 0.8923
41 ZEA 0.8916
42 FM1 0.8915
43 GNG 0.8899
44 MHB 0.8898
45 1V1 0.8894
46 3D8 0.8893
47 MTH 0.8893
48 3WK 0.8892
49 9CE 0.8891
50 A73 0.8889
51 MTA 0.8886
52 MDR 0.8886
53 9DI 0.8882
54 5ER 0.8882
55 5AD 0.8881
56 4K2 0.8879
57 LU2 0.8878
58 IQQ 0.8874
59 GA2 0.8873
60 GMP 0.8873
61 GAA 0.8869
62 HGH 0.8869
63 DBM 0.8868
64 AV4 0.8868
65 FMB 0.8868
66 FM2 0.8868
67 6BK 0.8865
68 20D 0.8861
69 ID8 0.8859
70 XYS XYP 0.8859
71 EAT 0.8857
72 DFL 0.8856
73 GLA BEZ 0.8855
74 A63 0.8855
75 25F 0.8854
76 3F4 0.8851
77 1V3 0.8850
78 JFS 0.8847
79 H0V 0.8846
80 6QT 0.8845
81 581 0.8845
82 TRP 0.8844
83 RGK 0.8843
84 C4E 0.8843
85 SGV 0.8841
86 5I5 0.8840
87 338 0.8838
88 L5D 0.8838
89 SZ5 0.8836
90 7VF 0.8836
91 HVE 0.8836
92 4ZF 0.8832
93 KUP 0.8832
94 NAB 0.8830
95 XTS 0.8829
96 IDZ 0.8827
97 AGI 0.8826
98 A4D 0.8825
99 5NN 0.8821
100 MBP 0.8820
101 SIJ 0.8818
102 FTU 0.8816
103 HO4 0.8816
104 CMG 0.8815
105 I0D 0.8813
106 UA2 0.8812
107 1UZ 0.8812
108 XYS XYS 0.8811
109 3D1 0.8807
110 15I 0.8806
111 E9L 0.8803
112 6JO 0.8803
113 WA2 0.8801
114 M3W 0.8799
115 3GX 0.8798
116 7G1 0.8798
117 Q5M 0.8797
118 12R 0.8796
119 VT3 0.8796
120 PE2 0.8795
121 MTM 0.8793
122 XYA 0.8791
123 4YE 0.8791
124 5WW 0.8790
125 7L4 0.8790
126 MTI 0.8790
127 272 0.8788
128 NXB 0.8788
129 EKH 0.8788
130 AEY 0.8780
131 M77 0.8777
132 Z15 0.8777
133 DXK 0.8777
134 5ID 0.8777
135 XYP XIM 0.8776
136 4UO 0.8776
137 6FX 0.8774
138 1V4 0.8773
139 U14 0.8773
140 97K 0.8772
141 6DQ 0.8771
142 RPP 0.8769
143 W8L 0.8765
144 T21 0.8764
145 833 0.8763
146 A 0.8761
147 TAL 0.8760
148 4F0 0.8758
149 P4L 0.8755
150 7LU 0.8755
151 6CR 0.8755
152 BNY 0.8751
153 57D 0.8747
154 DDC 0.8746
155 6EN 0.8746
156 5E1 0.8745
157 THM 0.8744
158 TLF 0.8744
159 NPZ 0.8742
160 2FA 0.8740
161 DS8 0.8739
162 27F 0.8738
163 B2L 0.8737
164 P2L 0.8735
165 FLF 0.8735
166 7DE 0.8734
167 AVX 0.8734
168 A4V 0.8732
169 ELH 0.8732
170 4G2 0.8731
171 CDJ 0.8729
172 B5A 0.8728
173 2FD 0.8726
174 YE7 0.8725
175 DMB 0.8722
176 6GP 0.8721
177 5N5 0.8720
178 DFV 0.8718
179 VJJ 0.8718
180 91F 0.8718
181 Z57 0.8717
182 BBY 0.8715
183 H2W 0.8715
184 FSE 0.8712
185 BK1 0.8712
186 CJZ 0.8711
187 5YA 0.8711
188 MT6 0.8710
189 5E5 0.8710
190 3WL 0.8709
191 FZB 0.8708
192 3JC 0.8708
193 5WN 0.8708
194 5CD 0.8707
195 MYC 0.8707
196 6LW AHR 0.8706
197 ACK 0.8705
198 LI7 0.8703
199 QS4 0.8702
200 QUE 0.8701
201 08C 0.8699
202 NAR 0.8698
203 WDW 0.8697
204 6J3 0.8696
205 1DA 0.8691
206 U4J 0.8690
207 CC6 0.8689
208 NFL 0.8689
209 2P3 0.8688
210 0QV 0.8687
211 IXM 0.8685
212 HH6 0.8684
213 6JM 0.8681
214 OUG 0.8680
215 NAL 0.8678
216 5E4 0.8676
217 TRP GLY 0.8674
218 KMP 0.8674
219 CL9 0.8672
220 MG7 0.8670
221 5F1 0.8669
222 XJ2 0.8667
223 BGC BGC 0.8666
224 Q92 0.8665
225 0H5 0.8661
226 28A 0.8661
227 NYJ 0.8659
228 NU3 0.8658
229 EXG 0.8658
230 9E3 0.8658
231 Z2T 0.8656
232 7CI 0.8654
233 TO1 0.8650
234 C5I 0.8649
235 DE7 0.8647
236 101 0.8645
237 2UD 0.8644
238 FHI 0.8643
239 B7H 0.8642
240 0NU 0.8642
241 Q11 0.8642
242 78P 0.8641
243 DTQ 0.8635
244 XIL 0.8634
245 XDL XYP 0.8634
246 XYP XDN 0.8633
247 A64 0.8633
248 6BD 0.8632
249 FY8 0.8631
250 41L 0.8631
251 FL8 0.8630
252 3Q0 0.8629
253 U98 0.8628
254 RAB 0.8628
255 DH2 0.8626
256 2JX 0.8625
257 L3L 0.8622
258 MCF 0.8614
259 ZRK 0.8611
260 U12 0.8610
261 5FD 0.8609
262 9FN 0.8608
263 IAV 0.8605
264 TVZ 0.8603
265 AUV 0.8599
266 ZRL 0.8598
267 0RY 0.8596
268 0NJ 0.8596
269 94M 0.8589
270 35G 0.8588
271 AOD 0.8588
272 0SY 0.8586
273 BRY 0.8586
274 IRH 0.8583
275 U13 0.8582
276 ZEZ 0.8579
277 MRI 0.8579
278 7FZ 0.8578
279 PRH 0.8578
280 A0R 0.8577
281 BJ4 0.8574
282 2H4 0.8574
283 0X2 0.8564
284 JSX 0.8561
285 2M7 0.8557
286 0OK 0.8556
287 GLC BGC 0.8550
288 6B5 0.8548
289 AP6 0.8548
290 DX6 0.8542
291 0DF 0.8540
292 II4 0.8536
293 TI7 0.8530
294 XZ1 0.8530
295 1UT 0.8528
296 JVD 0.8528
297 CD9 0.8521
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AR0; Ligand: GB8; 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: 5ar0.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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