Receptor
PDB id Resolution Class Description Source Keywords
5ALE 1.95 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
GOL A:1553;
A:1552;
A:1551;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1550;
A:1549;
A:1548;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
ONR A:1554;
 Valid;
 none;
 ic50 = 1.132 uM
195.602 C9 H6 Cl N O2 c1cc(...
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: ONR; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ONR 1 1
2 97T 0.4375 0.882353
Similar Ligands (3D)
Ligand no: 1; Ligand: ONR; Similar ligands found: 1241
No: Ligand Similarity coefficient
1 0F9 1.0000
2 HQJ 0.9763
3 L5V 0.9757
4 R20 0.9735
5 J9Q 0.9705
6 52C 0.9702
7 6TZ 0.9646
8 N2Z 0.9597
9 Z5P 0.9578
10 AY4 0.9570
11 2F6 0.9556
12 HA5 0.9551
13 OMD 0.9515
14 9FE 0.9506
15 CH9 0.9503
16 PJW 0.9498
17 VNL 0.9475
18 XDK 0.9468
19 VXX 0.9459
20 0HN 0.9447
21 30G 0.9444
22 92P 0.9444
23 1WC 0.9439
24 3NY 0.9435
25 9FL 0.9434
26 M5H 0.9432
27 2ZM 0.9416
28 IHB 0.9415
29 QSB 0.9414
30 0HO 0.9413
31 L22 0.9413
32 N3W 0.9410
33 0JD 0.9410
34 1F1 0.9405
35 4V2 0.9400
36 5NI 0.9398
37 15N 0.9397
38 6NI 0.9396
39 F69 0.9396
40 TT4 0.9392
41 J9T 0.9390
42 3A9 0.9386
43 1A7 0.9383
44 C2Y 0.9382
45 GZL 0.9374
46 9TW 0.9372
47 2AL 0.9372
48 CHB 0.9363
49 ICO 0.9363
50 069 0.9361
51 6NT 0.9358
52 INO 0.9358
53 A29 0.9356
54 KYA 0.9356
55 HQD 0.9354
56 PD2 0.9352
57 DHB 0.9349
58 JAW 0.9348
59 PIM 0.9348
60 P9P 0.9344
61 DNF 0.9343
62 93K 0.9340
63 DC5 0.9337
64 L13 0.9334
65 ESI 0.9331
66 PEY 0.9330
67 PRZ 0.9330
68 M6Z 0.9330
69 SHA 0.9328
70 KJU 0.9327
71 45L 0.9325
72 L99 0.9323
73 F31 0.9322
74 GF4 0.9317
75 B4O 0.9311
76 28N 0.9310
77 4ME 0.9309
78 92K 0.9307
79 QSH 0.9306
80 2HO 0.9304
81 1XA 0.9303
82 49O 0.9302
83 M3H 0.9300
84 0N7 0.9298
85 2O6 0.9298
86 SRO 0.9298
87 MYJ 0.9296
88 1IT 0.9294
89 7MU 0.9291
90 NCT 0.9290
91 A9O 0.9290
92 7WR 0.9288
93 VM1 0.9287
94 GDE 0.9285
95 463 0.9280
96 LNR 0.9278
97 9CA 0.9277
98 PDC 0.9277
99 CKA 0.9276
100 BZE 0.9275
101 M1Z 0.9272
102 2HU 0.9271
103 IAC 0.9268
104 JG8 0.9267
105 DNC 0.9264
106 5VL 0.9263
107 BPY 0.9263
108 9ZE 0.9262
109 M4E 0.9260
110 KTW 0.9259
111 2LY 0.9258
112 5F5 0.9258
113 4NC 0.9257
114 BNL 0.9257
115 YTX 0.9256
116 0W1 0.9252
117 M2K 0.9250
118 61M 0.9248
119 4FH 0.9248
120 AZ9 0.9245
121 0FK 0.9242
122 DHK 0.9240
123 URC 0.9240
124 5GU 0.9239
125 NNO 0.9238
126 A9P 0.9238
127 ZME 0.9237
128 M5E 0.9235
129 E1T 0.9235
130 JRB 0.9235
131 MSR 0.9231
132 ABI 0.9230
133 GVG 0.9229
134 R9S 0.9227
135 MIL 0.9226
136 5RN 0.9225
137 7MX 0.9224
138 BGC 0.9222
139 GTQ 0.9222
140 PIY 0.9221
141 BEA 0.9220
142 FHB 0.9218
143 NGT 0.9217
144 BZ2 0.9217
145 BK9 0.9210
146 LEL 0.9210
147 2HC 0.9210
148 SLS 0.9207
149 2D3 0.9206
150 XQK 0.9203
151 1AL 0.9198
152 57O 0.9198
153 BQ2 0.9197
154 4A3 0.9197
155 GZ2 0.9196
156 EA1 0.9195
157 FGZ 0.9194
158 3MB 0.9192
159 X0V 0.9192
160 8WO 0.9192
161 CPZ 0.9191
162 UFV 0.9191
163 TZM 0.9190
164 8XL 0.9188
165 DEW 0.9187
166 JR2 0.9186
167 SKM 0.9185
168 IWT 0.9185
169 9KH 0.9185
170 SBK 0.9184
171 ODO 0.9184
172 5XC 0.9183
173 9R5 0.9179
174 795 0.9178
175 ZYR 0.9176
176 JDN 0.9174
177 9TZ 0.9174
178 EWG 0.9171
179 GLC 0.9169
180 GAB 0.9169
181 NDG 0.9168
182 CWJ 0.9168
183 4AV 0.9165
184 JP2 0.9164
185 BZJ 0.9160
186 LT2 0.9158
187 2FQ 0.9158
188 NGO 0.9157
189 MPV 0.9157
190 HX4 0.9155
191 SAF 0.9154
192 OW4 0.9153
193 DHY 0.9152
194 60Q 0.9151
195 3NT 0.9151
196 46P 0.9150
197 OVM 0.9149
198 OVV 0.9149
199 TWO 0.9148
200 9UL 0.9148
201 TSS 0.9147
202 XX2 0.9146
203 7VS 0.9145
204 4MU 0.9144
205 D3G 0.9143
206 3AB 0.9142
207 JF6 0.9142
208 MS9 0.9139
209 M45 0.9138
210 6QF 0.9138
211 4KL 0.9138
212 5RO 0.9138
213 8ZE 0.9137
214 ESX 0.9137
215 N8Y 0.9135
216 JLZ 0.9135
217 M0Q 0.9135
218 LDR 0.9134
219 BZ3 0.9133
220 3HB 0.9133
221 ASC 0.9132
222 54G 0.9132
223 NVU 0.9131
224 DIN 0.9130
225 5OB 0.9129
226 6XI 0.9129
227 EXD 0.9128
228 N2I 0.9127
229 9AP 0.9127
230 8G0 0.9127
231 RD4 0.9126
232 BP7 0.9125
233 HIS 0.9124
234 M1H 0.9124
235 4ZA 0.9124
236 3HM 0.9121
237 DRG 0.9120
238 5MK 0.9120
239 MPK 0.9120
240 TTL 0.9119
241 T2D 0.9119
242 IOS 0.9119
243 AH8 0.9118
244 WCE 0.9117
245 I6G 0.9116
246 LL1 0.9115
247 ANC 0.9114
248 A7W 0.9113
249 M3E 0.9113
250 4P5 0.9113
251 5WU 0.9111
252 4WL 0.9110
253 CXH 0.9109
254 NMJ 0.9109
255 6FZ 0.9108
256 8HC 0.9108
257 APZ 0.9107
258 60L 0.9107
259 2FY 0.9106
260 BDP 0.9106
261 CR1 0.9105
262 6VD 0.9105
263 BCU 0.9104
264 7FF 0.9101
265 FDR 0.9101
266 8TX 0.9101
267 MAJ 0.9101
268 V55 0.9101
269 CIT 0.9101
270 0BP 0.9100
271 TZF 0.9100
272 5GT 0.9100
273 3J8 0.9099
274 C9E 0.9097
275 36Y 0.9096
276 FLV 0.9096
277 CTS 0.9096
278 6DP 0.9095
279 6J9 0.9095
280 AX3 0.9095
281 2JK 0.9094
282 8NX 0.9094
283 1QP 0.9093
284 3OC 0.9093
285 3BZ 0.9091
286 M0W 0.9090
287 FE DB1 0.9090
288 3PF 0.9089
289 LT8 0.9089
290 AA 0.9088
291 ALE 0.9087
292 ICB 0.9087
293 HHI 0.9084
294 GO2 0.9083
295 JB8 0.9082
296 AJY 0.9080
297 KUF 0.9080
298 4XV 0.9078
299 94W 0.9077
300 7VP 0.9076
301 6RQ 0.9075
302 R2P 0.9075
303 4RU 0.9074
304 8WT 0.9072
305 G3E 0.9070
306 6KT 0.9070
307 4BY 0.9070
308 SNU 0.9069
309 SX1 0.9067
310 P7Y 0.9067
311 61O 0.9067
312 RUY 0.9067
313 5JQ 0.9066
314 SE2 0.9066
315 X48 0.9066
316 0W8 0.9065
317 ANF 0.9064
318 HQ9 0.9064
319 FUD 0.9064
320 AMR 0.9064
321 D48 0.9063
322 LGC 0.9063
323 J5I 0.9063
324 OW7 0.9062
325 5F8 0.9062
326 XIY 0.9061
327 CFI 0.9061
328 4AA 0.9061
329 FIX 0.9060
330 R9Y 0.9060
331 BY5 0.9060
332 DNA 0.9059
333 4CS 0.9055
334 QPR 0.9054
335 TIH 0.9054
336 HQT 0.9054
337 4TU 0.9054
338 UFO 0.9053
339 42C 0.9053
340 QMS 0.9052
341 XAZ 0.9051
342 2BG 0.9051
343 5M0 0.9051
344 FLC 0.9051
345 X11 0.9050
346 4SX 0.9050
347 1VK 0.9048
348 TYL 0.9048
349 5RG 0.9047
350 AVI 0.9045
351 I3A 0.9042
352 NDH 0.9042
353 KTA 0.9040
354 Q6T 0.9040
355 EOL 0.9039
356 209 0.9038
357 E7Z 0.9038
358 DK1 0.9037
359 HLZ 0.9037
360 MNP 0.9037
361 HBO 0.9036
362 7I2 0.9036
363 LFQ 0.9036
364 HHH 0.9036
365 AKH 0.9034
366 H4E 0.9032
367 3C4 0.9032
368 1P8 0.9031
369 1HN 0.9030
370 FA0 0.9030
371 GJP 0.9029
372 6CS 0.9029
373 A5E 0.9029
374 FP1 0.9029
375 SSC 0.9028
376 F2W 0.9028
377 A1Y 0.9028
378 M6N 0.9027
379 7MK 0.9027
380 K80 0.9027
381 8OZ 0.9027
382 5QY 0.9025
383 HJH 0.9024
384 CK1 0.9023
385 K34 0.9023
386 4XS 0.9021
387 3MG 0.9020
388 39U 0.9019
389 1FF 0.9019
390 3C5 0.9018
391 F12 0.9017
392 MRW 0.9017
393 75K 0.9016
394 8GK 0.9016
395 5FL 0.9016
396 39O 0.9015
397 NAG 0.9015
398 ORO 0.9015
399 THA 0.9014
400 H7Y 0.9013
401 173 0.9013
402 KTJ 0.9013
403 LDP 0.9012
404 B2T 0.9011
405 363 0.9011
406 4HC 0.9011
407 DHI 0.9010
408 692 0.9010
409 DOB 0.9009
410 GCU 0.9009
411 C1M 0.9008
412 NLA 0.9008
413 PPY 0.9008
414 BRT 0.9007
415 AJV 0.9007
416 AVA 0.9006
417 SQ4 0.9006
418 XQI 0.9005
419 0P6 0.9005
420 NCD 0.9004
421 QUS 0.9003
422 S2P 0.9003
423 23J 0.9002
424 PRO GLY 0.9001
425 UAN 0.9001
426 OGA 0.9001
427 R1P 0.9000
428 PHU 0.9000
429 A13 0.8999
430 FA3 0.8999
431 ES2 0.8998
432 TQU 0.8998
433 DQU 0.8997
434 AQO 0.8997
435 428 0.8997
436 GV9 0.8996
437 Q24 0.8995
438 0XT 0.8995
439 261 0.8995
440 6ME 0.8994
441 BTY 0.8994
442 ISZ 0.8994
443 JTH 0.8994
444 AKG 0.8994
445 IFP 0.8993
446 OVP 0.8993
447 DQA 0.8993
448 DBJ 0.8992
449 GNM 0.8992
450 4JT 0.8990
451 AN3 0.8989
452 LSQ 0.8987
453 AJ2 0.8987
454 4HM 0.8987
455 15L 0.8986
456 8WZ 0.8986
457 344 0.8985
458 EDR 0.8985
459 DOR 0.8985
460 RM1 0.8985
461 G3F 0.8984
462 FA1 0.8984
463 5QX 0.8983
464 12T 0.8983
465 KBB 0.8983
466 NID 0.8982
467 N7I 0.8982
468 TSR 0.8981
469 505 0.8981
470 MEW 0.8981
471 EKZ 0.8981
472 SYA 0.8981
473 1Z6 0.8981
474 6R8 0.8980
475 BQ5 0.8979
476 3AL 0.8979
477 X0W 0.8978
478 Q88 0.8978
479 3HA 0.8978
480 TTY 0.8977
481 OTD 0.8977
482 8GC 0.8976
483 NOJ 0.8976
484 J6W 0.8976
485 OTW 0.8975
486 CK2 0.8975
487 DA4 0.8975
488 OX2 0.8974
489 M5K 0.8973
490 3HP 0.8973
491 MQB 0.8973
492 GTR 0.8972
493 64C 0.8972
494 ADA 0.8971
495 53C 0.8970
496 AEH 0.8970
497 5WY 0.8970
498 12Q 0.8970
499 1M2 0.8969
500 DBH 0.8969
501 4Z4 0.8968
502 6BL 0.8968
503 OA1 0.8966
504 8W9 0.8966
505 VK3 0.8965
506 H5B 0.8964
507 YZM 0.8964
508 DIU 0.8964
509 X05 0.8963
510 XFE 0.8963
511 5CU 0.8963
512 AZ8 0.8961
513 4JQ 0.8961
514 7NI 0.8960
515 EUG 0.8960
516 4M4 0.8960
517 MXD 0.8959
518 S3C 0.8959
519 D1X 0.8958
520 C2U 0.8958
521 MOK 0.8958
522 7W1 0.8957
523 KF5 0.8957
524 EN1 0.8957
525 U7E 0.8957
526 M3Q 0.8956
527 0GZ 0.8956
528 7ZE 0.8956
529 TOF 0.8956
530 BHO 0.8956
531 PAC 0.8956
532 J9N 0.8955
533 34D 0.8955
534 5TZ 0.8954
535 EYK 0.8954
536 G1P 0.8953
537 3R6 0.8953
538 X6P 0.8953
539 X8D 0.8952
540 3ID 0.8952
541 4M0 0.8951
542 GNL 0.8950
543 SYR 0.8950
544 3VW 0.8950
545 1KP 0.8949
546 E7S 0.8948
547 ANN 0.8948
548 44V 0.8947
549 JZA 0.8946
550 HDL 0.8946
551 5HN 0.8946
552 2ZQ 0.8945
553 BPU 0.8944
554 IV2 0.8944
555 4I8 0.8944
556 DHS 0.8943
557 B55 0.8942
558 CWS 0.8942
559 9KT 0.8942
560 QIC 0.8942
561 TIU 0.8942
562 NBG 0.8941
563 SOR 0.8941
564 BIK 0.8941
565 44W 0.8940
566 LI6 0.8940
567 R8V 0.8940
568 GCB 0.8940
569 V1T 0.8940
570 7QS 0.8940
571 F0J 0.8939
572 B62 0.8939
573 7ME 0.8939
574 3F0 0.8939
575 7Q1 0.8938
576 XHP 0.8937
577 5JL 0.8935
578 IJZ 0.8934
579 GAL 0.8934
580 1L5 0.8934
581 HJ8 0.8934
582 HLD 0.8933
583 NIZ 0.8933
584 AMQ 0.8933
585 36E 0.8933
586 226 0.8932
587 36M 0.8932
588 RKV 0.8932
589 7O4 0.8931
590 MR1 0.8931
591 54X 0.8930
592 OXC 0.8930
593 PNZ 0.8930
594 COU 0.8929
595 ES5 0.8928
596 PQK 0.8928
597 3ZB 0.8928
598 M1E 0.8928
599 PO6 0.8927
600 HNK 0.8927
601 TAG 0.8927
602 DEE 0.8926
603 5NU 0.8926
604 AOT 0.8926
605 15E 0.8925
606 DBX 0.8925
607 H42 0.8925
608 PHE 0.8925
609 D2G 0.8924
610 ZON 0.8924
611 P80 0.8921
612 EGR 0.8919
613 03V 0.8919
614 JFJ 0.8919
615 SQ7 0.8918
616 JB5 0.8918
617 FWD 0.8918
618 FBW 0.8917
619 2AQ 0.8916
620 HIC 0.8916
621 OCH 0.8915
622 4A5 0.8915
623 XDE 0.8915
624 MVN 0.8915
625 0FO 0.8915
626 MUA 0.8914
627 KT7 0.8914
628 JA8 0.8914
629 51R 0.8914
630 3M0 0.8913
631 CN0 0.8911
632 BHA 0.8911
633 AW5 0.8911
634 4YO 0.8911
635 A5H 0.8911
636 KDV 0.8910
637 F4E 0.8909
638 QWW 0.8908
639 2AK 0.8907
640 LPK 0.8907
641 492 0.8906
642 DMD 0.8906
643 H33 0.8905
644 8CM 0.8903
645 3BU 0.8903
646 CTL 0.8903
647 OHP 0.8903
648 2HQ 0.8901
649 ZXD 0.8901
650 7HQ 0.8900
651 1Z8 0.8899
652 II6 0.8899
653 4FS 0.8899
654 M4T 0.8898
655 091 0.8898
656 293 0.8897
657 OKM 0.8897
658 NQ 0.8896
659 HDH 0.8895
660 CWD 0.8895
661 RXA 0.8894
662 JWS 0.8893
663 FBB 0.8893
664 UNC 0.8893
665 2CZ 0.8893
666 92G 0.8892
667 GCS 0.8890
668 FOT 0.8890
669 6HO 0.8890
670 ES0 0.8889
671 27B 0.8888
672 X0U 0.8888
673 EMZ 0.8887
674 EVA 0.8887
675 IQ5 0.8887
676 GYE 0.8887
677 UNJ 0.8887
678 SKF 0.8887
679 S2G 0.8886
680 DDU 0.8886
681 4BL 0.8884
682 ET2 0.8884
683 FTV 0.8884
684 PZI 0.8883
685 SAL 0.8882
686 QX2 0.8880
687 MB1 0.8879
688 APS 0.8879
689 E35 0.8878
690 TU0 0.8878
691 GCO 0.8877
692 2SX 0.8875
693 FF2 0.8872
694 HHS 0.8872
695 K3Q 0.8871
696 PHB 0.8871
697 G12 0.8870
698 GJZ 0.8869
699 ICT 0.8867
700 KW8 0.8867
701 TXW 0.8867
702 MBG 0.8866
703 J9W 0.8866
704 PE0 0.8865
705 ZZ8 0.8865
706 BCK 0.8865
707 F9Y 0.8864
708 KOJ 0.8863
709 4LW 0.8863
710 TRP 0.8862
711 FBM 0.8862
712 CWM 0.8861
713 K2T 0.8860
714 VGD 0.8860
715 0NX 0.8860
716 TGX 0.8859
717 EV0 0.8859
718 QMP 0.8858
719 HNQ 0.8858
720 8U3 0.8856
721 CIY 0.8856
722 CFA 0.8855
723 7MW 0.8855
724 AOS 0.8854
725 M1Q 0.8854
726 4XF 0.8853
727 2HG 0.8853
728 TPA 0.8853
729 0LO 0.8852
730 8S0 0.8852
731 1P7 0.8852
732 BE2 0.8852
733 3Z8 0.8851
734 OQC 0.8851
735 MQN 0.8850
736 SWA 0.8850
737 H70 0.8849
738 68A 0.8848
739 NPO 0.8848
740 PAB 0.8848
741 HPT 0.8847
742 ASO 0.8847
743 OA3 0.8847
744 CSN 0.8847
745 5NS 0.8847
746 3IT 0.8845
747 LJ3 0.8844
748 INE 0.8844
749 N1E 0.8843
750 MO8 0.8843
751 X09 0.8843
752 86J 0.8842
753 CC5 0.8841
754 42A 0.8841
755 9PY 0.8841
756 9BF 0.8840
757 DHC 0.8839
758 GZQ 0.8839
759 KJH 0.8838
760 HC4 0.8838
761 TCA 0.8838
762 PBA 0.8837
763 AHR 0.8837
764 ARP 0.8835
765 8XQ 0.8835
766 GLN 0.8835
767 JKE 0.8833
768 IWD 0.8833
769 SKA 0.8832
770 XQ0 0.8832
771 78Y 0.8830
772 1X7 0.8830
773 5LA 0.8830
774 MHK 0.8829
775 36R 0.8828
776 W8G 0.8827
777 9MG 0.8827
778 GT0 0.8826
779 A3M 0.8826
780 FRU 0.8826
781 7ZL 0.8825
782 ROI 0.8825
783 MWP 0.8825
784 CLW 0.8824
785 8NB 0.8824
786 5NE 0.8824
787 3Y7 0.8822
788 DGN 0.8822
789 F4K 0.8822
790 7N0 0.8821
791 67X 0.8821
792 XM5 0.8820
793 2D0 0.8820
794 0LH 0.8819
795 5XB 0.8819
796 AUV 0.8818
797 JF1 0.8818
798 AIN 0.8818
799 5B1 0.8818
800 E5X 0.8817
801 PH2 0.8816
802 M78 0.8816
803 2GQ 0.8816
804 LZM 0.8815
805 DPT 0.8814
806 BPS 0.8814
807 2LP 0.8812
808 LYL 0.8812
809 NPA 0.8812
810 1Y6 0.8811
811 RAT 0.8810
812 14W 0.8810
813 S0E 0.8809
814 P84 0.8808
815 535 0.8807
816 YO5 0.8806
817 BWD 0.8806
818 K32 0.8805
819 AM1 0.8802
820 WUB 0.8802
821 5VJ 0.8801
822 N91 0.8800
823 HJ7 0.8800
824 PQ0 0.8800
825 9GP 0.8800
826 XCZ 0.8800
827 FHC 0.8800
828 G2F 0.8799
829 3VX 0.8799
830 BZQ 0.8798
831 E1P 0.8797
832 HHA 0.8797
833 DRL 0.8797
834 2K8 0.8797
835 EVF 0.8797
836 8IG 0.8796
837 I1E 0.8796
838 GTC 0.8796
839 B5D 0.8796
840 K3Y 0.8796
841 V2Z 0.8796
842 GDL 0.8796
843 YIO 0.8795
844 SYV 0.8795
845 LZ2 0.8795
846 PBZ 0.8795
847 TMG 0.8795
848 KDG 0.8793
849 F9P 0.8793
850 55D 0.8792
851 5OF 0.8792
852 IPB 0.8792
853 XQG 0.8791
854 89J 0.8791
855 KKN 0.8790
856 OTR 0.8789
857 3FH 0.8787
858 SHI 0.8787
859 XCG 0.8787
860 8MO 0.8786
861 3DO 0.8786
862 HNL 0.8786
863 I3E 0.8785
864 0TU 0.8783
865 QX4 0.8783
866 5TY 0.8782
867 XXP 0.8782
868 9X5 0.8782
869 ES6 0.8781
870 PUE 0.8780
871 SG2 0.8778
872 QY9 0.8777
873 K5W 0.8776
874 JXW 0.8775
875 FBU 0.8775
876 AC6 0.8775
877 W29 0.8774
878 QZ8 0.8774
879 4MA 0.8774
880 SMN 0.8774
881 AZM 0.8774
882 6FB 0.8773
883 DI6 0.8772
884 20J 0.8772
885 REL 0.8771
886 GOJ 0.8770
887 Q71 0.8770
888 33S 0.8768
889 1P3 0.8768
890 P9E 0.8768
891 4LV 0.8768
892 TR4 0.8767
893 C53 0.8766
894 42J 0.8766
895 MJ2 0.8766
896 XAN 0.8766
897 7B3 0.8765
898 9RW 0.8765
899 KYN 0.8765
900 HJP 0.8764
901 LAO 0.8763
902 HKD 0.8762
903 HBD 0.8761
904 HNH 0.8761
905 GUN 0.8760
906 IPT 0.8760
907 3YP 0.8759
908 495 0.8758
909 2FG 0.8757
910 BSX 0.8756
911 1X8 0.8756
912 FK8 0.8755
913 2UZ 0.8754
914 XXG 0.8754
915 ESP 0.8754
916 G5V 0.8752
917 N0Z 0.8752
918 GLU 0.8752
919 0OY 0.8751
920 CLZ 0.8750
921 PH3 0.8750
922 YH7 0.8750
923 XIZ 0.8750
924 JF2 0.8749
925 QWN 0.8749
926 ISN 0.8749
927 152 0.8748
928 AVJ 0.8746
929 3U4 0.8744
930 MLT 0.8744
931 67Y 0.8743
932 37T 0.8743
933 JBH 0.8743
934 5IQ 0.8742
935 GIV 0.8742
936 LQ2 0.8742
937 5WV 0.8741
938 1SQ 0.8741
939 ABV 0.8740
940 1LQ 0.8740
941 RNT 0.8740
942 ES7 0.8739
943 TEP 0.8739
944 MT0 0.8738
945 5SG 0.8738
946 CLU 0.8734
947 XI7 0.8734
948 774 0.8732
949 HHR 0.8731
950 4NB 0.8731
951 SQP 0.8731
952 APG 0.8731
953 ZZZ 0.8730
954 3QV 0.8729
955 F1X 0.8728
956 FA6 0.8728
957 HF2 0.8727
958 JZ4 0.8727
959 CXF 0.8726
960 2BX 0.8726
961 TCR 0.8725
962 MYI 0.8725
963 RMN 0.8724
964 717 0.8724
965 HCI 0.8724
966 G14 0.8723
967 DX3 0.8723
968 L03 0.8722
969 VOH 0.8722
970 AX7 0.8721
971 AZA 0.8721
972 9DG 0.8720
973 67N 0.8720
974 MD6 0.8718
975 2KA 0.8718
976 4YS 0.8717
977 5E5 0.8717
978 268 0.8717
979 L1T 0.8717
980 FER 0.8716
981 6HP 0.8714
982 EV3 0.8713
983 DTR 0.8713
984 PXL 0.8712
985 1GN 0.8711
986 LIP 0.8711
987 C82 0.8711
988 1NP 0.8710
989 FB1 0.8710
990 PSJ 0.8708
991 5VM 0.8708
992 ES1 0.8708
993 XEN 0.8708
994 IOP 0.8707
995 EV2 0.8707
996 MCY 0.8707
997 N5J 0.8705
998 PYQ 0.8704
999 MZM 0.8704
1000 Q02 0.8703
1001 149 0.8702
1002 141 0.8701
1003 SQV 0.8701
1004 KMH 0.8700
1005 I4D 0.8699
1006 DXK 0.8698
1007 JKZ 0.8698
1008 25O 0.8698
1009 4VY 0.8697
1010 3QM 0.8697
1011 4ZC 0.8697
1012 B57 0.8697
1013 JPZ 0.8696
1014 PKU 0.8696
1015 KLK 0.8695
1016 4XH 0.8695
1017 HFA 0.8695
1018 FDB 0.8694
1019 2H5 0.8694
1020 II4 0.8693
1021 GGL 0.8693
1022 THM 0.8692
1023 NLQ 0.8692
1024 R8S 0.8692
1025 HL4 0.8692
1026 DPN 0.8690
1027 7WV 0.8690
1028 FBV 0.8690
1029 BA5 0.8688
1030 DGL 0.8687
1031 2IT 0.8687
1032 6OT 0.8687
1033 VNJ 0.8687
1034 HHT 0.8686
1035 STT 0.8686
1036 HSX 0.8685
1037 QXW 0.8685
1038 X1R 0.8685
1039 2FT 0.8685
1040 DXP 0.8684
1041 MMS 0.8684
1042 RNS 0.8683
1043 0FN 0.8683
1044 24W 0.8683
1045 AZG 0.8682
1046 GLY PRO 0.8681
1047 GHM 0.8681
1048 5Q0 0.8681
1049 JCZ 0.8680
1050 2QC 0.8679
1051 6AP 0.8678
1052 HPS 0.8678
1053 NGA 0.8678
1054 WOE 0.8677
1055 BGU 0.8677
1056 4BZ 0.8677
1057 2UD 0.8677
1058 PRA 0.8676
1059 4FA 0.8675
1060 FCD 0.8674
1061 B40 0.8673
1062 IA2 0.8673
1063 URS 0.8670
1064 8VN 0.8670
1065 KIB 0.8669
1066 M1A 0.8668
1067 S60 0.8668
1068 MS0 0.8668
1069 BZX 0.8667
1070 2EC 0.8667
1071 6MW 0.8666
1072 YRL 0.8666
1073 KFH 0.8666
1074 5DL 0.8664
1075 W81 0.8663
1076 2J9 0.8661
1077 KWB 0.8660
1078 3MF 0.8659
1079 BEZ 0.8659
1080 K22 0.8658
1081 5V7 0.8656
1082 XM0 0.8656
1083 ZZA 0.8656
1084 SW7 0.8656
1085 AN0 0.8656
1086 5PX 0.8655
1087 2A9 0.8655
1088 HZQ 0.8654
1089 RNO 0.8654
1090 HX3 0.8653
1091 PHH 0.8653
1092 K17 0.8653
1093 5BT 0.8652
1094 LMR 0.8652
1095 JAE 0.8651
1096 2MI 0.8651
1097 GVY 0.8650
1098 2D2 0.8650
1099 4FF 0.8648
1100 RVE 0.8648
1101 4NM 0.8647
1102 IPD 0.8647
1103 BEN 0.8647
1104 TSU 0.8647
1105 JBK 0.8646
1106 0GY 0.8646
1107 4Z3 0.8646
1108 826 0.8646
1109 KGK 0.8646
1110 7B4 0.8645
1111 B56 0.8644
1112 A2F 0.8643
1113 1XM 0.8642
1114 3XX 0.8642
1115 9LI 0.8641
1116 CFF 0.8640
1117 TYR 0.8640
1118 JTA 0.8639
1119 SNO 0.8638
1120 FXH 0.8637
1121 ID2 0.8634
1122 BOA 0.8633
1123 F06 0.8633
1124 GNV 0.8633
1125 GOE 0.8632
1126 270 0.8631
1127 OAA 0.8631
1128 IGA 0.8630
1129 NTZ 0.8630
1130 0FR 0.8630
1131 F6P 0.8629
1132 FAN 0.8629
1133 DPZ 0.8628
1134 FCR 0.8628
1135 TIY 0.8627
1136 259 0.8627
1137 EXR 0.8626
1138 RA7 0.8625
1139 2B4 0.8625
1140 F60 0.8623
1141 MAQ 0.8623
1142 3Z7 0.8623
1143 SRT 0.8621
1144 LLT 0.8621
1145 IQZ 0.8621
1146 AOR 0.8621
1147 L7T 0.8620
1148 B85 0.8620
1149 CKU 0.8618
1150 9RH 0.8616
1151 HQY 0.8614
1152 0DN 0.8614
1153 7W4 0.8614
1154 6GU 0.8614
1155 OCZ 0.8614
1156 FQX 0.8613
1157 AMS 0.8611
1158 SXS 0.8610
1159 82I 0.8610
1160 K44 0.8610
1161 BNF 0.8610
1162 D07 0.8607
1163 PBC 0.8606
1164 IBM 0.8605
1165 GLA 0.8604
1166 4VS 0.8604
1167 FC2 0.8604
1168 B2J 0.8603
1169 14O 0.8601
1170 NIR 0.8601
1171 2PG 0.8601
1172 6M9 0.8600
1173 5OO 0.8600
1174 49P 0.8600
1175 DNB 0.8599
1176 4SV 0.8598
1177 ITE 0.8597
1178 3R4 0.8597
1179 DHR 0.8596
1180 B86 0.8596
1181 SAN 0.8596
1182 537 0.8595
1183 258 0.8594
1184 DIE 0.8593
1185 NDM 0.8593
1186 Q4G 0.8592
1187 GJK 0.8591
1188 549 0.8591
1189 ENO 0.8590
1190 TBS 0.8589
1191 K68 0.8589
1192 4XR 0.8587
1193 XRS 0.8586
1194 GLY LEU 0.8585
1195 RJY 0.8583
1196 ZYQ 0.8582
1197 DAH 0.8580
1198 B60 0.8580
1199 NCA 0.8578
1200 JYB 0.8577
1201 SR1 0.8576
1202 FBS 0.8576
1203 DGJ 0.8575
1204 IL5 0.8575
1205 EUE 0.8568
1206 5MI 0.8567
1207 96R 0.8567
1208 UNU 0.8564
1209 SOE 0.8564
1210 GNY 0.8563
1211 AEF 0.8562
1212 I2E 0.8562
1213 6PC 0.8561
1214 M5N 0.8561
1215 C0H 0.8560
1216 HRM 0.8560
1217 K25 0.8559
1218 PRF 0.8558
1219 P4L 0.8557
1220 7R4 0.8555
1221 UEG 0.8555
1222 BOQ 0.8553
1223 AEG 0.8553
1224 3PG 0.8551
1225 1WD 0.8550
1226 5B2 0.8550
1227 657 0.8550
1228 SHG 0.8549
1229 PFB 0.8547
1230 OK7 0.8547
1231 QQQ 0.8545
1232 JU2 0.8540
1233 174 0.8536
1234 X6X 0.8532
1235 ODK 0.8532
1236 GRO 0.8529
1237 6AI 0.8529
1238 H62 0.8525
1239 5P3 0.8519
1240 6PB 0.8510
1241 JBE 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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