Receptor
PDB id Resolution Class Description Source Keywords
5ak4 1.79 Å EC: 3.3.2.10 LIGAND COMPLEX STRUCTURE OF SOLUBLE EPOXIDE HYDROLASE HOMO SAPIENS HYDROLASE
Ref.: SUCCESSFUL GENERATION OF STRUCTURAL INFORMATION FOR FRAGMENT-BASED DRUG DISCOVERY. DRUG DISCOV TODAY V. 20 1104 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:1548;
A:1549;
 Invalid;
Invalid;
 none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
GVG A:1552;
A:1550;
A:1551;
 Valid;
Valid;
Valid;
 none;
Atoms found MORE than expected: % Diff = 2;
none;
 ic50 = 59.2 uM
158.2 C10 H10 N2 Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AM1 2.15 Å EC: 3.3.2.10 LIGAND COMPLEX STRUCTURE OF SOLUBLE EPOXIDE HYDROLASE HOMO SAPIENS HYDROLASE
Ref.: SUCCESSFUL GENERATION OF STRUCTURAL INFORMATION FOR FRAGMENT-BASED DRUG DISCOVERY. DRUG DISCOV TODAY V. 20 1104 2015
Members (71)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3WKA ic50 = 29 uM S0G C10 H16 N4 O2 CN1C(=C(C(....
2 5ALW ic50 = 7.05 uM JQN C17 H15 N O2 S Cc1ccc(cc1....
3 5AIB ic50 = 160 uM KJU C8 H6 Cl N O2 c1cc2c(cc1....
4 3WKD ic50 = 171 uM S0K C15 H16 N2 O2 S c1ccc(c(c1....
5 5ALP ic50 < 0.086 uM QYD C17 H17 N3 O3 S c1ccc(cc1)....
6 5AK5 ic50 = 0.086 uM V2Z C12 H13 N3 O CCCC1=NC(=....
7 4Y2S ic50 = 52 uM 49P C10 H7 F3 N2 O c1cc(cc(c1....
8 5ALJ ic50 = 2.737 uM T5J C17 H15 F N2 O Cc1ccc(cc1....
9 5ALO ic50 = 0.738 uM A0J C20 H19 N3 O C[C@]1(c2c....
10 5AM3 ic50 = 0.005 uM AUB C24 H32 N2 O4 c1cc(ccc1C....
11 4Y2P ic50 = 2200 uM 3C5 C13 H14 N2 CNCc1cccc(....
12 3WK8 ic50 = 49 uM S0E C8 H5 F3 N2 S c1cc2c(cc1....
13 5ALI ic50 < 0.086 uM Q3B C27 H26 N8 O3 S COc1ccc(cc....
14 5AK3 ic50 = 8.49 uM XM0 C9 H11 N c1ccc2c(c1....
15 5AKJ ic50 < 1.37 uM 6N4 C9 H10 N2 O S c1ccc2c(c1....
16 5AIC ic50 = 49.6 uM TGX C9 H9 N O S Cc1ccc2c(c....
17 5ALV ic50 = 43.48 uM 6TZ C9 H7 F N2 c1cc(cc(c1....
18 3WK9 ic50 = 70 uM S0F C10 H9 Br N2 S c1cc(ccc1C....
19 5AKK ic50 = 99.3 uM 1P8 C8 H6 Br N O c1cc2c(cc1....
20 1VJ5 ic50 = 0.12 uM CIU C13 H17 I N2 O c1cc(ccc1N....
21 4Y2Q ic50 = 1200 uM 49N C10 H12 F3 N3 c1cc(c(nc1....
22 5ALY ic50 = 0.1845 uM B7H C15 H13 F N4 O Cc1c(n[nH]....
23 5ALH ic50 < 0.086 uM 4UA C29 H35 N3 O4 S Cc1ccc(cc1....
24 3I1Y ic50 = 7 nM 33N C21 H20 N2 O c1ccc(cc1)....
25 5FP0 ic50 = 0.017 uM SZC C19 H18 F3 N3 O2 S c1cc2c(c(c....
26 5AM5 ic50 = 1.82 uM 6NZ C14 H21 N O CCCC1=CC(=....
27 5ALX ic50 = 3.277 uM DUL C13 H13 N O S2 CCSc1cccc(....
28 5AIA ic50 = 6.268 uM KWB C13 H15 O3 c1cc(c(cc1....
29 5ALG ic50 = 0.03 uM R4N C25 H21 Cl N2 O4 S c1ccc2c(c1....
30 5AM2 ic50 = 9.685 uM KUF C10 H9 N O Cc1ccc2c(c....
31 4Y2Y ic50 = 9 uM 49Z C14 H16 F N S Cc1ccc(s1)....
32 5AKH ic50 = 0.256 uM 6NM C15 H10 F3 N3 c1cc(cc(c1....
33 5AKZ ic50 = 5.49 uM 6NX C8 H16 N2 O CNC(=O)NC1....
34 5ALT ic50 = 13.1 uM 9XZ C11 H10 N6 S Cn1nc(nn1)....
35 4Y2V ic50 = 91 uM 4A5 C8 H9 Br N2 O2 c1c(c(nn1C....
36 5AI8 ic50 = 125.6 uM K2T C8 H8 N2 S Cc1ccc2c(c....
37 5AI4 ic50 = 331.7 uM 4VY C8 H11 Br N2 O CN(CCO)c1c....
38 3I28 ic50 = 6 nM 34N C24 H21 F N2 O3 S CS(=O)(=O)....
39 5AKI ic50 = 0.754 uM 6NF C15 H20 N4 c1cnccc1c2....
40 5AK4 ic50 = 59.2 uM GVG C10 H10 N2 Cc1c(c[nH]....
41 5ALL ic50 = 2.678 uM II6 C9 H19 N O C[C@@H]1C[....
42 3WK6 ic50 = 6.3 uM S0B C12 H16 N2 S C[C@@H]1CN....
43 5AKX - 8NY C7 H5 I N2 c1cc2c(cc1....
44 5AI0 ic50 = 206.4 uM JF6 C8 H7 N3 O c1ccc(cc1)....
45 5ALN ic50 = 0.267 uM 5ZM C16 H14 F N O CC1(c2cc(c....
46 5ALZ ic50 = 0.006 uM XQ9 C17 H29 N3 O3 S CS(=O)(=O)....
47 5AKE ic50 = 0.015 uM 6N0 C18 H16 F2 N2 O3 S c1ccc2c(c1....
48 1ZD3 ic50 > 500 uM NC4 C11 H20 N2 O3 C1CCC(CC1)....
49 5AI9 ic50 = 0.244 uM K78 C20 H26 Br N O CC(C)(C)c1....
50 5ALK ic50 = 0.252 uM WMR C15 H22 N4 S CCCCc1c2c(....
51 4Y2T ic50 = 150 uM 49Q C16 H18 O2 c1ccc(cc1)....
52 5ALE ic50 = 1.132 uM ONR C9 H6 Cl N O2 c1cc(c(cc1....
53 5AM0 ic50 = 1.32 uM LWS C15 H15 F N2 O CC1(c2cc(c....
54 5AM4 ic50 = 0.113 uM MVJ C18 H23 N O2 c1cc2c(cc1....
55 4Y2J ic50 = 800 uM 49G C13 H17 N3 Cn1ccc(n1)....
56 4Y2X ic50 = 0.51 uM 4A0 C19 H27 N O c1ccc(c(c1....
57 5AM1 ic50 = 0.003 uM I5T C23 H24 N2 O3 c1ccc(cc1)....
58 5AK6 ic50 = 326.4 uM YPN C7 H8 Cl N O S c1cc(ncc1C....
59 5AI5 ic50 = 0.093 uM BSU C13 H12 N2 O c1ccc(cc1)....
60 3WK4 ic50 = 7.4 uM S0A C12 H16 N2 O C[C@H](C1C....
61 3WKC ic50 = 195 uM S0J C14 H19 N3 O S Cc1cc(c(n1....
62 5AKL ic50 < 0.086 uM 6N8 C20 H20 N2 O c1ccc(cc1)....
63 5ALD ic50 = 1.08 uM FCW C14 H17 N O c1cc2c(cc1....
64 5AKY - 6NJ C15 H14 N2 c1ccc(cc1)....
65 5ALU ic50 = 0.022 uM HD2 C24 H34 N4 O3 c1c(c(nc(n....
66 5ALF ic50 = 0.204 uM OE1 C19 H23 N3 O2 S CCCN(CCC)S....
67 3WKB ic50 = 61 uM S0I C15 H14 N2 O c1ccc(cc1)....
68 4Y2R - 49O C10 H12 N4 c1cc(c(nc1....
69 3WK7 ic50 = 127 uM S0D C11 H10 N4 Cn1cc(cn1)....
70 5ALM ic50 = 0.294 uM 7GM C16 H23 N O S C[C@]1(CCN....
71 5AI6 ic50 = 40.19 uM 4XH C9 H6 Br N c1cc2c(ccc....
70% Homology Family (71)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3WKA ic50 = 29 uM S0G C10 H16 N4 O2 CN1C(=C(C(....
2 5ALW ic50 = 7.05 uM JQN C17 H15 N O2 S Cc1ccc(cc1....
3 5AIB ic50 = 160 uM KJU C8 H6 Cl N O2 c1cc2c(cc1....
4 3WKD ic50 = 171 uM S0K C15 H16 N2 O2 S c1ccc(c(c1....
5 5ALP ic50 < 0.086 uM QYD C17 H17 N3 O3 S c1ccc(cc1)....
6 5AK5 ic50 = 0.086 uM V2Z C12 H13 N3 O CCCC1=NC(=....
7 4Y2S ic50 = 52 uM 49P C10 H7 F3 N2 O c1cc(cc(c1....
8 5ALJ ic50 = 2.737 uM T5J C17 H15 F N2 O Cc1ccc(cc1....
9 5ALO ic50 = 0.738 uM A0J C20 H19 N3 O C[C@]1(c2c....
10 5AM3 ic50 = 0.005 uM AUB C24 H32 N2 O4 c1cc(ccc1C....
11 4Y2P ic50 = 2200 uM 3C5 C13 H14 N2 CNCc1cccc(....
12 3WK8 ic50 = 49 uM S0E C8 H5 F3 N2 S c1cc2c(cc1....
13 5ALI ic50 < 0.086 uM Q3B C27 H26 N8 O3 S COc1ccc(cc....
14 5AK3 ic50 = 8.49 uM XM0 C9 H11 N c1ccc2c(c1....
15 5AKJ ic50 < 1.37 uM 6N4 C9 H10 N2 O S c1ccc2c(c1....
16 5AIC ic50 = 49.6 uM TGX C9 H9 N O S Cc1ccc2c(c....
17 5ALV ic50 = 43.48 uM 6TZ C9 H7 F N2 c1cc(cc(c1....
18 3WK9 ic50 = 70 uM S0F C10 H9 Br N2 S c1cc(ccc1C....
19 5AKK ic50 = 99.3 uM 1P8 C8 H6 Br N O c1cc2c(cc1....
20 1VJ5 ic50 = 0.12 uM CIU C13 H17 I N2 O c1cc(ccc1N....
21 4Y2Q ic50 = 1200 uM 49N C10 H12 F3 N3 c1cc(c(nc1....
22 5ALY ic50 = 0.1845 uM B7H C15 H13 F N4 O Cc1c(n[nH]....
23 5ALH ic50 < 0.086 uM 4UA C29 H35 N3 O4 S Cc1ccc(cc1....
24 3I1Y ic50 = 7 nM 33N C21 H20 N2 O c1ccc(cc1)....
25 5FP0 ic50 = 0.017 uM SZC C19 H18 F3 N3 O2 S c1cc2c(c(c....
26 5AM5 ic50 = 1.82 uM 6NZ C14 H21 N O CCCC1=CC(=....
27 5ALX ic50 = 3.277 uM DUL C13 H13 N O S2 CCSc1cccc(....
28 5AIA ic50 = 6.268 uM KWB C13 H15 O3 c1cc(c(cc1....
29 5ALG ic50 = 0.03 uM R4N C25 H21 Cl N2 O4 S c1ccc2c(c1....
30 5AM2 ic50 = 9.685 uM KUF C10 H9 N O Cc1ccc2c(c....
31 4Y2Y ic50 = 9 uM 49Z C14 H16 F N S Cc1ccc(s1)....
32 5AKH ic50 = 0.256 uM 6NM C15 H10 F3 N3 c1cc(cc(c1....
33 5AKZ ic50 = 5.49 uM 6NX C8 H16 N2 O CNC(=O)NC1....
34 5ALT ic50 = 13.1 uM 9XZ C11 H10 N6 S Cn1nc(nn1)....
35 4Y2V ic50 = 91 uM 4A5 C8 H9 Br N2 O2 c1c(c(nn1C....
36 5AI8 ic50 = 125.6 uM K2T C8 H8 N2 S Cc1ccc2c(c....
37 5AI4 ic50 = 331.7 uM 4VY C8 H11 Br N2 O CN(CCO)c1c....
38 3I28 ic50 = 6 nM 34N C24 H21 F N2 O3 S CS(=O)(=O)....
39 5AKI ic50 = 0.754 uM 6NF C15 H20 N4 c1cnccc1c2....
40 5AK4 ic50 = 59.2 uM GVG C10 H10 N2 Cc1c(c[nH]....
41 5ALL ic50 = 2.678 uM II6 C9 H19 N O C[C@@H]1C[....
42 3WK6 ic50 = 6.3 uM S0B C12 H16 N2 S C[C@@H]1CN....
43 5AKX - 8NY C7 H5 I N2 c1cc2c(cc1....
44 5AI0 ic50 = 206.4 uM JF6 C8 H7 N3 O c1ccc(cc1)....
45 5ALN ic50 = 0.267 uM 5ZM C16 H14 F N O CC1(c2cc(c....
46 5ALZ ic50 = 0.006 uM XQ9 C17 H29 N3 O3 S CS(=O)(=O)....
47 5AKE ic50 = 0.015 uM 6N0 C18 H16 F2 N2 O3 S c1ccc2c(c1....
48 1ZD3 ic50 > 500 uM NC4 C11 H20 N2 O3 C1CCC(CC1)....
49 5AI9 ic50 = 0.244 uM K78 C20 H26 Br N O CC(C)(C)c1....
50 5ALK ic50 = 0.252 uM WMR C15 H22 N4 S CCCCc1c2c(....
51 4Y2T ic50 = 150 uM 49Q C16 H18 O2 c1ccc(cc1)....
52 5ALE ic50 = 1.132 uM ONR C9 H6 Cl N O2 c1cc(c(cc1....
53 5AM0 ic50 = 1.32 uM LWS C15 H15 F N2 O CC1(c2cc(c....
54 5AM4 ic50 = 0.113 uM MVJ C18 H23 N O2 c1cc2c(cc1....
55 4Y2J ic50 = 800 uM 49G C13 H17 N3 Cn1ccc(n1)....
56 4Y2X ic50 = 0.51 uM 4A0 C19 H27 N O c1ccc(c(c1....
57 5AM1 ic50 = 0.003 uM I5T C23 H24 N2 O3 c1ccc(cc1)....
58 5AK6 ic50 = 326.4 uM YPN C7 H8 Cl N O S c1cc(ncc1C....
59 5AI5 ic50 = 0.093 uM BSU C13 H12 N2 O c1ccc(cc1)....
60 3WK4 ic50 = 7.4 uM S0A C12 H16 N2 O C[C@H](C1C....
61 3WKC ic50 = 195 uM S0J C14 H19 N3 O S Cc1cc(c(n1....
62 5AKL ic50 < 0.086 uM 6N8 C20 H20 N2 O c1ccc(cc1)....
63 5ALD ic50 = 1.08 uM FCW C14 H17 N O c1cc2c(cc1....
64 5AKY - 6NJ C15 H14 N2 c1ccc(cc1)....
65 5ALU ic50 = 0.022 uM HD2 C24 H34 N4 O3 c1c(c(nc(n....
66 5ALF ic50 = 0.204 uM OE1 C19 H23 N3 O2 S CCCN(CCC)S....
67 3WKB ic50 = 61 uM S0I C15 H14 N2 O c1ccc(cc1)....
68 4Y2R - 49O C10 H12 N4 c1cc(c(nc1....
69 3WK7 ic50 = 127 uM S0D C11 H10 N4 Cn1cc(cn1)....
70 5ALM ic50 = 0.294 uM 7GM C16 H23 N O S C[C@]1(CCN....
71 5AI6 ic50 = 40.19 uM 4XH C9 H6 Br N c1cc2c(ccc....
50% Homology Family (88)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3WKA ic50 = 29 uM S0G C10 H16 N4 O2 CN1C(=C(C(....
2 5ALW ic50 = 7.05 uM JQN C17 H15 N O2 S Cc1ccc(cc1....
3 5AIB ic50 = 160 uM KJU C8 H6 Cl N O2 c1cc2c(cc1....
4 3WKD ic50 = 171 uM S0K C15 H16 N2 O2 S c1ccc(c(c1....
5 5ALP ic50 < 0.086 uM QYD C17 H17 N3 O3 S c1ccc(cc1)....
6 5AK5 ic50 = 0.086 uM V2Z C12 H13 N3 O CCCC1=NC(=....
7 4Y2S ic50 = 52 uM 49P C10 H7 F3 N2 O c1cc(cc(c1....
8 5ALJ ic50 = 2.737 uM T5J C17 H15 F N2 O Cc1ccc(cc1....
9 5ALO ic50 = 0.738 uM A0J C20 H19 N3 O C[C@]1(c2c....
10 5AM3 ic50 = 0.005 uM AUB C24 H32 N2 O4 c1cc(ccc1C....
11 4Y2P ic50 = 2200 uM 3C5 C13 H14 N2 CNCc1cccc(....
12 3WK8 ic50 = 49 uM S0E C8 H5 F3 N2 S c1cc2c(cc1....
13 5ALI ic50 < 0.086 uM Q3B C27 H26 N8 O3 S COc1ccc(cc....
14 5AK3 ic50 = 8.49 uM XM0 C9 H11 N c1ccc2c(c1....
15 5AKJ ic50 < 1.37 uM 6N4 C9 H10 N2 O S c1ccc2c(c1....
16 5AIC ic50 = 49.6 uM TGX C9 H9 N O S Cc1ccc2c(c....
17 5ALV ic50 = 43.48 uM 6TZ C9 H7 F N2 c1cc(cc(c1....
18 3WK9 ic50 = 70 uM S0F C10 H9 Br N2 S c1cc(ccc1C....
19 5AKK ic50 = 99.3 uM 1P8 C8 H6 Br N O c1cc2c(cc1....
20 1VJ5 ic50 = 0.12 uM CIU C13 H17 I N2 O c1cc(ccc1N....
21 4Y2Q ic50 = 1200 uM 49N C10 H12 F3 N3 c1cc(c(nc1....
22 5ALY ic50 = 0.1845 uM B7H C15 H13 F N4 O Cc1c(n[nH]....
23 5ALH ic50 < 0.086 uM 4UA C29 H35 N3 O4 S Cc1ccc(cc1....
24 3I1Y ic50 = 7 nM 33N C21 H20 N2 O c1ccc(cc1)....
25 5FP0 ic50 = 0.017 uM SZC C19 H18 F3 N3 O2 S c1cc2c(c(c....
26 5AM5 ic50 = 1.82 uM 6NZ C14 H21 N O CCCC1=CC(=....
27 5ALX ic50 = 3.277 uM DUL C13 H13 N O S2 CCSc1cccc(....
28 5AIA ic50 = 6.268 uM KWB C13 H15 O3 c1cc(c(cc1....
29 5ALG ic50 = 0.03 uM R4N C25 H21 Cl N2 O4 S c1ccc2c(c1....
30 5AM2 ic50 = 9.685 uM KUF C10 H9 N O Cc1ccc2c(c....
31 4Y2Y ic50 = 9 uM 49Z C14 H16 F N S Cc1ccc(s1)....
32 5AKH ic50 = 0.256 uM 6NM C15 H10 F3 N3 c1cc(cc(c1....
33 5AKZ ic50 = 5.49 uM 6NX C8 H16 N2 O CNC(=O)NC1....
34 5ALT ic50 = 13.1 uM 9XZ C11 H10 N6 S Cn1nc(nn1)....
35 4Y2V ic50 = 91 uM 4A5 C8 H9 Br N2 O2 c1c(c(nn1C....
36 5AI8 ic50 = 125.6 uM K2T C8 H8 N2 S Cc1ccc2c(c....
37 5AI4 ic50 = 331.7 uM 4VY C8 H11 Br N2 O CN(CCO)c1c....
38 3I28 ic50 = 6 nM 34N C24 H21 F N2 O3 S CS(=O)(=O)....
39 5AKI ic50 = 0.754 uM 6NF C15 H20 N4 c1cnccc1c2....
40 5AK4 ic50 = 59.2 uM GVG C10 H10 N2 Cc1c(c[nH]....
41 5ALL ic50 = 2.678 uM II6 C9 H19 N O C[C@@H]1C[....
42 3WK6 ic50 = 6.3 uM S0B C12 H16 N2 S C[C@@H]1CN....
43 5AKX - 8NY C7 H5 I N2 c1cc2c(cc1....
44 5AI0 ic50 = 206.4 uM JF6 C8 H7 N3 O c1ccc(cc1)....
45 5ALN ic50 = 0.267 uM 5ZM C16 H14 F N O CC1(c2cc(c....
46 5ALZ ic50 = 0.006 uM XQ9 C17 H29 N3 O3 S CS(=O)(=O)....
47 5AKE ic50 = 0.015 uM 6N0 C18 H16 F2 N2 O3 S c1ccc2c(c1....
48 1ZD3 ic50 > 500 uM NC4 C11 H20 N2 O3 C1CCC(CC1)....
49 5AI9 ic50 = 0.244 uM K78 C20 H26 Br N O CC(C)(C)c1....
50 5ALK ic50 = 0.252 uM WMR C15 H22 N4 S CCCCc1c2c(....
51 4Y2T ic50 = 150 uM 49Q C16 H18 O2 c1ccc(cc1)....
52 5ALE ic50 = 1.132 uM ONR C9 H6 Cl N O2 c1cc(c(cc1....
53 5AM0 ic50 = 1.32 uM LWS C15 H15 F N2 O CC1(c2cc(c....
54 5AM4 ic50 = 0.113 uM MVJ C18 H23 N O2 c1cc2c(cc1....
55 4Y2J ic50 = 800 uM 49G C13 H17 N3 Cn1ccc(n1)....
56 4Y2X ic50 = 0.51 uM 4A0 C19 H27 N O c1ccc(c(c1....
57 5AM1 ic50 = 0.003 uM I5T C23 H24 N2 O3 c1ccc(cc1)....
58 5AK6 ic50 = 326.4 uM YPN C7 H8 Cl N O S c1cc(ncc1C....
59 5AI5 ic50 = 0.093 uM BSU C13 H12 N2 O c1ccc(cc1)....
60 3WK4 ic50 = 7.4 uM S0A C12 H16 N2 O C[C@H](C1C....
61 3WKC ic50 = 195 uM S0J C14 H19 N3 O S Cc1cc(c(n1....
62 5AKL ic50 < 0.086 uM 6N8 C20 H20 N2 O c1ccc(cc1)....
63 5ALD ic50 = 1.08 uM FCW C14 H17 N O c1cc2c(cc1....
64 5AKY - 6NJ C15 H14 N2 c1ccc(cc1)....
65 5ALU ic50 = 0.022 uM HD2 C24 H34 N4 O3 c1c(c(nc(n....
66 5ALF ic50 = 0.204 uM OE1 C19 H23 N3 O2 S CCCN(CCC)S....
67 3WKB ic50 = 61 uM S0I C15 H14 N2 O c1ccc(cc1)....
68 4Y2R - 49O C10 H12 N4 c1cc(c(nc1....
69 3WK7 ic50 = 127 uM S0D C11 H10 N4 Cn1cc(cn1)....
70 5ALM ic50 = 0.294 uM 7GM C16 H23 N O S C[C@]1(CCN....
71 5AI6 ic50 = 40.19 uM 4XH C9 H6 Br N c1cc2c(ccc....
72 3ANT ic50 = 8.5 nM S82 C20 H26 N4 O2 CC(C)c1nc(....
73 6YL4 ic50 = 0.007 uM OWW C28 H26 F3 N3 O4 C[C@H](C#C....
74 4JNC ic50 = 3 nM 1LF C19 H23 F3 N6 O Cc1nc(nc(n....
75 6I5G Ki = 8.56 uM PTG C20 H28 O3 CCCCCC=CC=....
76 6FR2 ic50 = 4.99 nM E3N C21 H30 F3 N3 O5 S CC(C)S(=O)....
77 4X6X ic50 = 2.3 nM S74 C30 H32 N2 O4 c1ccc(cc1)....
78 4X6Y - S94 C21 H24 N2 O2 c1ccc(cc1)....
79 3ANS ic50 = 565 nM S38 C17 H14 N2 O c1ccc(cc1)....
80 6HGV ic50 = 2.8 uM G3Q C20 H33 N3 O3 CC(C)(C)NC....
81 6HGX ic50 = 0.077 uM G3T C22 H35 N3 O3 CC(C)(C)N1....
82 4O08 - PO6 C8 H9 N O2 c1ccc(cc1)....
83 2CJP Ki = 0.8 mM VPR C8 H17 N O CCCC(CCC)C....
84 6N3K ic50 = 29 nM K9V C23 H28 F2 N2 O2 c1ccc(cc1)....
85 6N3Z ic50 = 259.3 nM KC4 C22 H24 F3 N3 O4 CNC(=O)c1c....
86 6N5H ic50 = 357.9 nM AUB C24 H32 N2 O4 c1cc(ccc1C....
87 6N5F ic50 = 138.8 nM KJ1 C17 H34 N2 O2 CCCCCCCCC(....
88 5NG7 - SER C3 H7 N O3 C([C@@H](C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GVG; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GVG 1 1
2 1Z6 0.55 0.862069
3 L15 0.488889 0.714286
4 1Z8 0.444444 0.727273
Similar Ligands (3D)
Ligand no: 1; Ligand: GVG; Similar ligands found: 1001
No: Ligand Similarity coefficient
1 RUY 1.0000
2 JF6 0.9999
3 NCT 0.9928
4 BNL 0.9824
5 1XA 0.9806
6 JRB 0.9798
7 A9P 0.9796
8 0BP 0.9780
9 TT4 0.9774
10 PIY 0.9733
11 1WC 0.9732
12 PIM 0.9722
13 CH9 0.9706
14 173 0.9700
15 HNH 0.9674
16 KTJ 0.9651
17 7VP 0.9623
18 HNL 0.9615
19 2F6 0.9605
20 XDK 0.9605
21 MSR 0.9604
22 J9N 0.9602
23 PJW 0.9597
24 9RW 0.9594
25 IWT 0.9592
26 A29 0.9590
27 HX4 0.9585
28 K34 0.9584
29 8OZ 0.9584
30 SQ7 0.9580
31 GRO 0.9574
32 M3H 0.9573
33 SMN 0.9571
34 HNK 0.9565
35 1A7 0.9558
36 9FL 0.9556
37 ZYR 0.9549
38 RMN 0.9546
39 MPK 0.9533
40 9CA 0.9533
41 L5V 0.9530
42 AOT 0.9530
43 1IT 0.9527
44 52C 0.9526
45 JG8 0.9512
46 L13 0.9511
47 97T 0.9508
48 HQJ 0.9508
49 5VL 0.9506
50 CPZ 0.9505
51 S2P 0.9501
52 R20 0.9493
53 J9Q 0.9489
54 BEA 0.9489
55 46P 0.9485
56 N2Z 0.9483
57 A9O 0.9477
58 D48 0.9468
59 SNU 0.9463
60 3PF 0.9459
61 G3E 0.9452
62 BPY 0.9449
63 SE2 0.9447
64 L22 0.9445
65 ISZ 0.9444
66 MPV 0.9441
67 36Y 0.9439
68 TZF 0.9430
69 J5I 0.9427
70 PPY 0.9427
71 A5E 0.9423
72 HIS 0.9422
73 92K 0.9420
74 CFI 0.9419
75 HHH 0.9413
76 BZ2 0.9413
77 7Q1 0.9412
78 KUF 0.9405
79 M45 0.9404
80 ICB 0.9397
81 DC5 0.9397
82 39O 0.9394
83 4P5 0.9393
84 50C 0.9392
85 CK2 0.9391
86 C1M 0.9388
87 4PN 0.9386
88 DHI 0.9386
89 DE5 0.9384
90 KKN 0.9383
91 4ZA 0.9382
92 4JQ 0.9374
93 BHO 0.9374
94 23J 0.9373
95 6TZ 0.9369
96 2ZM 0.9366
97 0HN 0.9365
98 49O 0.9364
99 HHI 0.9359
100 4V2 0.9359
101 BZE 0.9358
102 6NT 0.9356
103 ESP 0.9347
104 4WL 0.9346
105 OCH 0.9346
106 6NI 0.9340
107 EN1 0.9340
108 R2P 0.9339
109 BCK 0.9338
110 DYT 0.9335
111 Z5P 0.9335
112 ESX 0.9334
113 5QY 0.9333
114 2HU 0.9333
115 SHI 0.9332
116 AN3 0.9331
117 PHU 0.9329
118 COU 0.9327
119 J9T 0.9326
120 QUS 0.9326
121 5NI 0.9326
122 1F1 0.9325
123 ABI 0.9324
124 L99 0.9322
125 INO 0.9321
126 F69 0.9320
127 MQN 0.9320
128 0W1 0.9320
129 FBB 0.9316
130 12Q 0.9316
131 N8Y 0.9315
132 DIN 0.9315
133 H42 0.9313
134 03V 0.9313
135 3A9 0.9313
136 0HO 0.9311
137 SAF 0.9309
138 4A3 0.9309
139 2HO 0.9305
140 DHB 0.9304
141 HQT 0.9303
142 M1Z 0.9302
143 FHB 0.9302
144 2AQ 0.9301
145 61M 0.9300
146 86J 0.9298
147 4MU 0.9297
148 AMQ 0.9293
149 4NC 0.9292
150 XX2 0.9292
151 MYJ 0.9291
152 KJH 0.9291
153 LNR 0.9290
154 JB5 0.9288
155 93K 0.9288
156 CWS 0.9288
157 M4T 0.9288
158 NNO 0.9287
159 0N7 0.9287
160 6QF 0.9287
161 ES7 0.9286
162 N3W 0.9283
163 4JT 0.9283
164 X11 0.9280
165 A7W 0.9279
166 0TU 0.9277
167 5QX 0.9275
168 PHE 0.9274
169 6RQ 0.9274
170 ESI 0.9273
171 2HQ 0.9273
172 3HM 0.9272
173 F9P 0.9272
174 ET2 0.9271
175 4LV 0.9268
176 AJV 0.9267
177 FBM 0.9266
178 PH3 0.9266
179 B3U 0.9265
180 K7M 0.9265
181 3ID 0.9265
182 5WV 0.9264
183 344 0.9263
184 K2T 0.9262
185 ES5 0.9260
186 EA1 0.9260
187 NIZ 0.9258
188 F4E 0.9258
189 B2Y 0.9253
190 HDH 0.9253
191 9TW 0.9253
192 069 0.9249
193 TIH 0.9246
194 AKG 0.9246
195 8CM 0.9245
196 HFA 0.9242
197 P9P 0.9241
198 3NY 0.9241
199 CHB 0.9241
200 B40 0.9240
201 HJH 0.9240
202 CK1 0.9232
203 SQ4 0.9230
204 M3E 0.9230
205 ONR 0.9229
206 OGA 0.9228
207 HL4 0.9228
208 TYL 0.9227
209 4FS 0.9226
210 0P6 0.9226
211 EXD 0.9225
212 LT2 0.9225
213 HQD 0.9224
214 FHC 0.9223
215 PEY 0.9223
216 0F9 0.9221
217 DPN 0.9219
218 7ME 0.9219
219 8NX 0.9219
220 I1E 0.9217
221 15E 0.9216
222 JB8 0.9215
223 FEH 0.9214
224 ES2 0.9214
225 PAC 0.9211
226 NFA 0.9210
227 SYM 0.9209
228 DAL DAL 0.9208
229 GZ2 0.9207
230 8ZE 0.9207
231 4Z4 0.9205
232 W29 0.9204
233 HIC 0.9203
234 HF2 0.9203
235 2FQ 0.9203
236 ANC 0.9202
237 4LW 0.9201
238 ALA ALA 0.9201
239 DHK 0.9201
240 E1T 0.9201
241 ISN 0.9201
242 7W1 0.9200
243 MTL 0.9199
244 JDN 0.9196
245 QSB 0.9196
246 1L5 0.9194
247 LFC 0.9194
248 15N 0.9194
249 9FE 0.9194
250 1M2 0.9190
251 APG 0.9190
252 BP3 0.9189
253 0FK 0.9188
254 M6H 0.9183
255 6FZ 0.9183
256 4YO 0.9183
257 SV4 0.9180
258 URO 0.9180
259 DMD 0.9180
260 VNL 0.9180
261 8HC 0.9180
262 TGX 0.9178
263 SYV 0.9176
264 OTW 0.9173
265 791 0.9172
266 HA5 0.9170
267 ENO 0.9168
268 ABV 0.9167
269 OOG 0.9166
270 RAT 0.9165
271 SLS 0.9163
272 MRW 0.9163
273 GOJ 0.9162
274 XHP 0.9161
275 D3G 0.9160
276 KJU 0.9160
277 HPS 0.9159
278 FDR 0.9159
279 DQU 0.9158
280 JAW 0.9157
281 TTL 0.9155
282 5OB 0.9154
283 E7Z 0.9154
284 12T 0.9152
285 PO6 0.9148
286 7QS 0.9146
287 BZ3 0.9145
288 IHB 0.9144
289 2AL 0.9142
290 CLW 0.9142
291 0FO 0.9141
292 MOK 0.9140
293 MUA 0.9140
294 HC4 0.9140
295 92G 0.9138
296 795 0.9138
297 N2I 0.9138
298 268 0.9133
299 0A9 0.9133
300 44W 0.9130
301 94W 0.9130
302 7W4 0.9130
303 SHA 0.9129
304 36R 0.9129
305 QX4 0.9129
306 OTR 0.9128
307 ODO 0.9128
308 X0V 0.9128
309 YZM 0.9128
310 PBA 0.9127
311 GVY 0.9127
312 7MU 0.9126
313 GJZ 0.9125
314 2BG 0.9125
315 2AK 0.9124
316 B62 0.9123
317 1KP 0.9123
318 8WT 0.9122
319 AJY 0.9121
320 MXN 0.9119
321 NDH 0.9119
322 M1Q 0.9119
323 QMP 0.9118
324 0JD 0.9117
325 T2D 0.9116
326 OK7 0.9115
327 QY9 0.9114
328 5WZ 0.9112
329 AZ9 0.9110
330 44V 0.9109
331 J9W 0.9108
332 X48 0.9107
333 2LY 0.9106
334 1P8 0.9105
335 PHB 0.9103
336 9RH 0.9102
337 6ME 0.9102
338 VXX 0.9101
339 TYE 0.9099
340 MVN 0.9099
341 KTA 0.9098
342 BP7 0.9097
343 5XC 0.9095
344 HSO 0.9093
345 3QM 0.9092
346 0W8 0.9092
347 4RU 0.9090
348 KDG 0.9089
349 CWJ 0.9085
350 IV2 0.9084
351 BPU 0.9083
352 DNF 0.9082
353 1SQ 0.9081
354 36E 0.9080
355 BZJ 0.9080
356 QBS 0.9079
357 5LA 0.9079
358 1HN 0.9077
359 TZM 0.9077
360 NPO 0.9076
361 AX3 0.9075
362 45L 0.9072
363 4BY 0.9072
364 3Z8 0.9072
365 3QV 0.9072
366 PZI 0.9070
367 R8V 0.9070
368 K80 0.9070
369 5GU 0.9069
370 PBZ 0.9068
371 GJP 0.9065
372 3CR 0.9064
373 IFP 0.9063
374 1P7 0.9061
375 PAB 0.9061
376 4BL 0.9059
377 X0U 0.9058
378 A3M 0.9057
379 0NX 0.9056
380 8WO 0.9054
381 AJ2 0.9054
382 TOF 0.9053
383 DIR 0.9052
384 6J9 0.9052
385 CLZ 0.9052
386 7OD 0.9051
387 2D0 0.9051
388 5VM 0.9051
389 MNN 0.9050
390 GDE 0.9049
391 1FF 0.9049
392 SOR 0.9048
393 GLN 0.9047
394 EKZ 0.9045
395 7N0 0.9044
396 4FH 0.9042
397 PTU 0.9041
398 3R4 0.9041
399 URS 0.9041
400 JAE 0.9040
401 RJY 0.9039
402 F31 0.9035
403 3ZB 0.9035
404 DHY 0.9035
405 DGN 0.9035
406 1DJ 0.9034
407 GBN 0.9034
408 2MI 0.9032
409 54D 0.9027
410 428 0.9027
411 JBH 0.9026
412 FK8 0.9024
413 CTL 0.9023
414 4AA 0.9023
415 GAB 0.9022
416 9ZE 0.9022
417 0XT 0.9022
418 CWM 0.9021
419 692 0.9021
420 B4O 0.9020
421 N8Z 0.9020
422 E0O 0.9020
423 DX3 0.9020
424 1Y6 0.9019
425 1VK 0.9019
426 TPA 0.9018
427 2O6 0.9018
428 PH2 0.9018
429 I4B 0.9017
430 A09 0.9017
431 FUD 0.9016
432 92P 0.9014
433 9ON 0.9013
434 PE0 0.9011
435 S2G 0.9010
436 WOE 0.9010
437 HBD 0.9010
438 P72 0.9010
439 XIY 0.9010
440 4SX 0.9009
441 4YS 0.9008
442 826 0.9007
443 BPS 0.9006
444 2IT 0.9006
445 DGL 0.9006
446 8W9 0.9006
447 4ME 0.9005
448 FA0 0.9005
449 GF4 0.9005
450 Q02 0.9004
451 3C4 0.9004
452 Q24 0.9003
453 F4K 0.9003
454 5RO 0.9002
455 XIZ 0.9001
456 9AP 0.9001
457 P7Y 0.9000
458 EDR 0.8999
459 SKA 0.8999
460 4VY 0.8997
461 UNJ 0.8997
462 4XF 0.8996
463 MS9 0.8996
464 1NP 0.8995
465 2HC 0.8994
466 BRH 0.8993
467 2FY 0.8993
468 ROI 0.8992
469 ES0 0.8992
470 5SG 0.8991
471 FBJ 0.8989
472 RNT 0.8988
473 SYC 0.8988
474 XQ0 0.8988
475 4HC 0.8988
476 QBK 0.8986
477 2HG 0.8984
478 GLO 0.8984
479 6HX 0.8984
480 DOB 0.8983
481 AQO 0.8983
482 256 0.8982
483 56D 0.8982
484 JPZ 0.8981
485 5IQ 0.8981
486 FTV 0.8980
487 SKM 0.8980
488 J6W 0.8980
489 2QC 0.8978
490 AX7 0.8978
491 270 0.8978
492 MAQ 0.8978
493 DE3 0.8978
494 PRZ 0.8975
495 1LQ 0.8975
496 CS2 0.8974
497 DRG 0.8973
498 C2Y 0.8972
499 FGZ 0.8972
500 4TU 0.8971
501 AL0 0.8970
502 M5K 0.8970
503 4MA 0.8969
504 BHA 0.8969
505 GLU 0.8968
506 GGL 0.8968
507 XBT 0.8968
508 B85 0.8968
509 JND 0.8967
510 ANN 0.8967
511 AEG 0.8966
512 F16 0.8966
513 BEN 0.8965
514 JZA 0.8964
515 SOL 0.8964
516 QSH 0.8964
517 CXP 0.8960
518 ZME 0.8960
519 4M0 0.8960
520 SWA 0.8959
521 VGD 0.8958
522 5B1 0.8958
523 269 0.8957
524 AY4 0.8957
525 E35 0.8956
526 NYL 0.8956
527 1LM 0.8956
528 HBO 0.8955
529 6FB 0.8955
530 AA 0.8954
531 BCU 0.8953
532 GZQ 0.8953
533 URC 0.8953
534 I38 0.8952
535 XAZ 0.8952
536 0OC 0.8952
537 5Q0 0.8952
538 MXD 0.8951
539 1BN 0.8951
540 FA1 0.8951
541 4NB 0.8950
542 6XI 0.8950
543 BEZ 0.8950
544 6KT 0.8949
545 F60 0.8948
546 LDR 0.8948
547 258 0.8945
548 ES1 0.8945
549 61O 0.8944
550 KW8 0.8944
551 28N 0.8944
552 BDP 0.8943
553 Q88 0.8942
554 PXL 0.8942
555 N0Z 0.8942
556 F9Y 0.8941
557 UN1 0.8940
558 30G 0.8940
559 MMS 0.8939
560 GCO 0.8939
561 HL5 0.8939
562 5RN 0.8938
563 DEE 0.8936
564 363 0.8936
565 14O 0.8936
566 8TX 0.8935
567 ICO 0.8934
568 G12 0.8934
569 3HB 0.8933
570 68A 0.8933
571 AVI 0.8931
572 5NU 0.8931
573 APZ 0.8931
574 V1T 0.8931
575 Q71 0.8930
576 R9Y 0.8930
577 O45 0.8928
578 5H1 0.8928
579 M6W 0.8927
580 TYR 0.8926
581 DTY 0.8926
582 OAA 0.8925
583 4XH 0.8925
584 SW7 0.8924
585 N5J 0.8924
586 NPY 0.8923
587 ONL 0.8921
588 B60 0.8921
589 2K4 0.8920
590 Q03 0.8919
591 QWN 0.8919
592 5HN 0.8919
593 OKG 0.8917
594 53C 0.8917
595 TWO 0.8916
596 X0W 0.8915
597 9R5 0.8913
598 MEW 0.8913
599 PNZ 0.8913
600 SD4 0.8911
601 UFV 0.8911
602 9UL 0.8910
603 3YP 0.8910
604 2FT 0.8909
605 2B4 0.8909
606 492 0.8909
607 HCI 0.8909
608 C53 0.8908
609 5CU 0.8908
610 HQY 0.8908
611 3AB 0.8907
612 BP6 0.8907
613 ALE 0.8906
614 XDE 0.8906
615 LDP 0.8903
616 AC6 0.8903
617 DHZ 0.8902
618 80G 0.8902
619 ANF 0.8902
620 S8V 0.8897
621 GNM 0.8897
622 SLY 0.8897
623 PMF 0.8896
624 GO2 0.8896
625 FMQ 0.8895
626 MAJ 0.8895
627 2JM 0.8893
628 K97 0.8893
629 PKU 0.8892
630 TAR 0.8891
631 TZL 0.8890
632 ZBT 0.8890
633 M2K 0.8890
634 C0H 0.8889
635 6AI 0.8889
636 5TY 0.8887
637 M5H 0.8886
638 AZ8 0.8886
639 EGR 0.8885
640 FCR 0.8885
641 EVF 0.8885
642 8U3 0.8884
643 4HB 0.8883
644 CN0 0.8883
645 E7S 0.8882
646 5MI 0.8882
647 BTM 0.8881
648 MLT 0.8881
649 Q06 0.8881
650 XRS 0.8880
651 4BF 0.8880
652 LQ2 0.8879
653 BTY 0.8878
654 5JQ 0.8878
655 HHS 0.8878
656 3OC 0.8877
657 CLU 0.8876
658 2PG 0.8876
659 8XL 0.8876
660 OVV 0.8876
661 PFF 0.8873
662 QUZ 0.8873
663 M5E 0.8873
664 4HP 0.8872
665 JP2 0.8872
666 BAM 0.8872
667 R9S 0.8871
668 3AL 0.8870
669 RA7 0.8870
670 2UB 0.8870
671 HHR 0.8869
672 PD2 0.8869
673 174 0.8867
674 2BX 0.8867
675 CXH 0.8866
676 S60 0.8864
677 7ZL 0.8863
678 Z82 0.8862
679 BNF 0.8861
680 ASC 0.8860
681 E5X 0.8860
682 C82 0.8859
683 I3A 0.8858
684 SRT 0.8857
685 BZX 0.8857
686 PBC 0.8857
687 PRA 0.8857
688 SOV 0.8855
689 ASP 0.8853
690 JLZ 0.8852
691 FBS 0.8852
692 OMD 0.8850
693 3NT 0.8850
694 L03 0.8850
695 B55 0.8849
696 6M9 0.8849
697 F2W 0.8849
698 75K 0.8846
699 PDC 0.8846
700 HY1 0.8845
701 BGU 0.8845
702 FA3 0.8845
703 TAG 0.8844
704 TLA 0.8843
705 6PC 0.8843
706 QIC 0.8842
707 TCA 0.8840
708 ASO 0.8840
709 DOR 0.8840
710 GZL 0.8839
711 NCA 0.8837
712 UNU 0.8837
713 IZC 0.8836
714 GWM 0.8835
715 SPA 0.8835
716 D1X 0.8834
717 DBH 0.8834
718 KTW 0.8834
719 3PG 0.8832
720 GLY GLY 0.8831
721 6HO 0.8830
722 LYS 0.8830
723 3HA 0.8828
724 B2T 0.8827
725 264 0.8826
726 DHS 0.8826
727 27B 0.8825
728 LMR 0.8824
729 TH7 0.8824
730 GUA 0.8824
731 VK3 0.8823
732 7WR 0.8822
733 5MB 0.8820
734 DCZ 0.8818
735 TSU 0.8817
736 8NB 0.8817
737 4XV 0.8816
738 P80 0.8814
739 DQA 0.8814
740 FUM 0.8814
741 3MF 0.8813
742 DS0 0.8813
743 SWX 0.8812
744 8IG 0.8812
745 5JL 0.8810
746 67N 0.8810
747 7UZ 0.8808
748 BGC 0.8808
749 DDU 0.8807
750 HDL 0.8807
751 293 0.8807
752 7VS 0.8807
753 NIO 0.8807
754 24W 0.8805
755 G8M 0.8804
756 SQP 0.8804
757 ORO 0.8803
758 3M0 0.8802
759 SAN 0.8799
760 HG3 0.8798
761 AHN 0.8798
762 LJ3 0.8794
763 2CK 0.8794
764 3HP 0.8794
765 717 0.8794
766 4J8 0.8793
767 KYN 0.8793
768 FZM 0.8792
769 XRG 0.8792
770 AC0 0.8791
771 FAN 0.8791
772 JR2 0.8789
773 GCU 0.8788
774 51R 0.8787
775 R9J 0.8785
776 F05 0.8785
777 BNS 0.8784
778 FF3 0.8784
779 HJ8 0.8783
780 AMS 0.8783
781 AAS 0.8783
782 CTS 0.8781
783 152 0.8779
784 PZA 0.8779
785 MAH 0.8778
786 5RG 0.8778
787 7MK 0.8777
788 LL1 0.8772
789 CXF 0.8772
790 60Q 0.8767
791 OQC 0.8767
792 MEQ 0.8766
793 YCP 0.8766
794 NBZ 0.8765
795 DAH 0.8764
796 GTQ 0.8764
797 8GL 0.8761
798 LT8 0.8758
799 JTH 0.8756
800 3BZ 0.8756
801 XCG 0.8755
802 CFA 0.8754
803 B5D 0.8753
804 4NM 0.8752
805 20J 0.8752
806 AW5 0.8750
807 S2T 0.8749
808 1X4 0.8747
809 SEP 0.8746
810 B09 0.8746
811 WCE 0.8746
812 BVA 0.8745
813 HA7 0.8744
814 AMH 0.8743
815 9MG 0.8743
816 NTN 0.8741
817 INE 0.8741
818 XM0 0.8740
819 I3E 0.8739
820 54X 0.8738
821 0QW 0.8738
822 HPP 0.8737
823 M6N 0.8737
824 54G 0.8735
825 091 0.8734
826 F12 0.8731
827 4BZ 0.8731
828 9W5 0.8731
829 FBW 0.8730
830 B1J 0.8730
831 MR1 0.8728
832 BPN 0.8728
833 NID 0.8727
834 5WY 0.8727
835 42C 0.8726
836 4FA 0.8726
837 MWP 0.8725
838 41K 0.8723
839 ADA 0.8722
840 HMH 0.8722
841 2K8 0.8721
842 SIN 0.8720
843 NIG 0.8720
844 SDD 0.8719
845 BQ5 0.8719
846 DHC 0.8718
847 GLC 0.8718
848 4CS 0.8717
849 7B3 0.8717
850 SME 0.8716
851 M1H 0.8716
852 N9J 0.8716
853 A13 0.8715
854 RXA 0.8715
855 54E 0.8713
856 Q04 0.8712
857 GTR 0.8711
858 HSX 0.8710
859 YRL 0.8709
860 ISA 0.8708
861 6M4 0.8708
862 505 0.8707
863 ZXD 0.8706
864 TVP 0.8706
865 7ZE 0.8706
866 6ZX 0.8704
867 AVJ 0.8703
868 3VW 0.8703
869 9PL 0.8703
870 RM1 0.8701
871 34D 0.8701
872 OHP 0.8700
873 VGL 0.8695
874 Q6T 0.8693
875 3Y7 0.8692
876 SRO 0.8691
877 E3X 0.8689
878 FB2 0.8689
879 FP1 0.8688
880 FQI 0.8688
881 T9G 0.8684
882 E4P 0.8682
883 RSO 0.8682
884 PMB 0.8681
885 SN4 0.8680
886 CCU 0.8679
887 XQK 0.8678
888 XXG 0.8678
889 261 0.8677
890 COI 0.8675
891 GCB 0.8675
892 3IT 0.8675
893 PRF 0.8675
894 7B4 0.8674
895 XRX 0.8674
896 4XS 0.8671
897 PEP 0.8671
898 RP5 0.8670
899 S0E 0.8670
900 MUK 0.8669
901 EV0 0.8669
902 LEU 0.8666
903 5XB 0.8665
904 4I8 0.8665
905 HWD 0.8663
906 SNO 0.8663
907 M0Q 0.8662
908 FOT 0.8659
909 IAC 0.8657
910 M0W 0.8654
911 A7K 0.8654
912 JYB 0.8653
913 EVA 0.8652
914 7O4 0.8652
915 X6P 0.8651
916 EQW 0.8647
917 AM1 0.8646
918 3SL 0.8646
919 TB8 0.8645
920 3WA 0.8642
921 OXC 0.8642
922 YTX 0.8641
923 FBU 0.8640
924 KMH 0.8639
925 SJ5 0.8637
926 NVU 0.8636
927 GAL 0.8636
928 9X5 0.8635
929 RNO 0.8634
930 GT4 0.8633
931 M4E 0.8632
932 KOJ 0.8631
933 9TZ 0.8631
934 DBX 0.8630
935 V55 0.8629
936 PBQ 0.8629
937 463 0.8628
938 TMG 0.8627
939 SAL 0.8627
940 EOL 0.8625
941 ES6 0.8625
942 M58 0.8623
943 5VJ 0.8622
944 Q77 0.8621
945 49F 0.8620
946 KDF 0.8619
947 XLS 0.8618
948 6W6 0.8618
949 PEA 0.8617
950 9FH 0.8615
951 G3P 0.8615
952 6DP 0.8613
953 TLM 0.8612
954 6SD 0.8611
955 GPF 0.8607
956 0FN 0.8605
957 Q7A 0.8605
958 9SE 0.8605
959 R9G 0.8604
960 G14 0.8604
961 3QO 0.8604
962 XFE 0.8603
963 GP9 0.8600
964 ORN 0.8598
965 H70 0.8597
966 13P 0.8596
967 NK2 0.8592
968 NF3 0.8591
969 BE2 0.8590
970 JYD 0.8589
971 1SA 0.8589
972 PBN 0.8588
973 CFF 0.8586
974 GPJ 0.8583
975 JKE 0.8582
976 49N 0.8580
977 IJZ 0.8579
978 PGH 0.8576
979 DNB 0.8572
980 3U4 0.8570
981 1A5 0.8570
982 DBJ 0.8570
983 8GC 0.8570
984 89J 0.8569
985 ICF 0.8568
986 7R4 0.8568
987 NMJ 0.8567
988 HRM 0.8563
989 A5H 0.8563
990 URI 0.8561
991 G3H 0.8561
992 AP4 0.8560
993 K5W 0.8558
994 GZ3 0.8555
995 EUG 0.8555
996 4MV 0.8553
997 XAN 0.8550
998 9FG 0.8546
999 SBK 0.8535
1000 HHA 0.8529
1001 PQ0 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AM1; Ligand: I5T; 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: 5am1.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5AM1; Ligand: I5T; 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: 5am1.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
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