Receptor
PDB id Resolution Class Description Source Keywords
5am2 1.7 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
SO4 A:1549;
A:1548;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
KUF A:1552;
A:1554;
A:1553;
A:1555;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
Atoms found MORE than expected: % Diff = 2;
Atoms found MORE than expected: % Diff = 2;
 ic50 = 9.685 uM
159.185 C10 H9 N O Cc1cc...
DMS A:1550;
 Invalid;
 none;
 submit data
78.133 C2 H6 O S CS(=O...
PEG A:1551;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
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: KUF; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 KUF 1 1
2 4YS 0.434783 0.958333
Similar Ligands (3D)
Ligand no: 1; Ligand: KUF; Similar ligands found: 1231
No: Ligand Similarity coefficient
1 CWS 1.0000
2 0P6 1.0000
3 8CM 1.0000
4 KT7 0.9863
5 3Z8 0.9848
6 2HQ 0.9837
7 1P7 0.9836
8 N8Y 0.9825
9 JB5 0.9824
10 03V 0.9813
11 COU 0.9812
12 OCH 0.9809
13 ES5 0.9808
14 2AQ 0.9803
15 86J 0.9797
16 4FS 0.9796
17 0FO 0.9787
18 GCS 0.9784
19 APZ 0.9779
20 G3F 0.9762
21 XHP 0.9761
22 1SQ 0.9757
23 5B1 0.9750
24 2D0 0.9750
25 44W 0.9743
26 BGC 0.9737
27 MRW 0.9736
28 1NP 0.9732
29 DIN 0.9730
30 ES1 0.9727
31 B62 0.9726
32 8S0 0.9722
33 JBH 0.9721
34 DQU 0.9720
35 OTW 0.9720
36 BEA 0.9717
37 QX4 0.9714
38 JPZ 0.9712
39 5SG 0.9711
40 5Q0 0.9711
41 5IQ 0.9708
42 1LQ 0.9703
43 MVN 0.9702
44 A7W 0.9699
45 1LM 0.9699
46 5RG 0.9699
47 6ME 0.9698
48 24W 0.9698
49 HQY 0.9697
50 GTQ 0.9697
51 O72 0.9691
52 MAQ 0.9691
53 N5J 0.9688
54 AJV 0.9686
55 B60 0.9685
56 CWM 0.9683
57 GLC 0.9677
58 8WT 0.9668
59 H42 0.9658
60 MUA 0.9657
61 M1Q 0.9655
62 54G 0.9650
63 ISN 0.9649
64 KJH 0.9647
65 Q88 0.9644
66 5M0 0.9642
67 J9T 0.9641
68 IV2 0.9641
69 ES0 0.9637
70 3PF 0.9630
71 TTL 0.9629
72 12Q 0.9621
73 44V 0.9620
74 4JQ 0.9611
75 5QX 0.9606
76 QBK 0.9604
77 SX1 0.9601
78 MQN 0.9595
79 R8V 0.9594
80 5MK 0.9592
81 0TU 0.9592
82 PH2 0.9587
83 7W1 0.9586
84 5QY 0.9586
85 G3E 0.9584
86 URC 0.9583
87 KKN 0.9582
88 XQ0 0.9582
89 ES7 0.9581
90 4XH 0.9579
91 5WV 0.9578
92 4YO 0.9578
93 HQT 0.9578
94 BDP 0.9577
95 2EC 0.9572
96 32X 0.9568
97 6CS 0.9568
98 I3A 0.9566
99 Q24 0.9566
100 MWP 0.9564
101 7HQ 0.9563
102 HH8 0.9559
103 DPZ 0.9556
104 VXX 0.9556
105 UFO 0.9555
106 SE2 0.9554
107 4MU 0.9552
108 RM1 0.9550
109 J5I 0.9549
110 2FQ 0.9549
111 AZ8 0.9548
112 0N7 0.9545
113 E7Z 0.9543
114 AZ9 0.9543
115 UNC 0.9543
116 ADZ 0.9540
117 7W4 0.9538
118 PXL 0.9536
119 D48 0.9534
120 A29 0.9532
121 PE0 0.9528
122 4HC 0.9527
123 LT2 0.9526
124 J9W 0.9522
125 5XC 0.9521
126 PYQ 0.9521
127 7B4 0.9521
128 4NC 0.9519
129 BZX 0.9515
130 DBH 0.9512
131 AJ2 0.9510
132 HHR 0.9508
133 M6N 0.9504
134 MEW 0.9504
135 4M4 0.9504
136 PRF 0.9503
137 3IT 0.9503
138 2AK 0.9502
139 5MI 0.9502
140 FE DB1 0.9502
141 AQO 0.9502
142 FA0 0.9502
143 GAL 0.9501
144 DHQ 0.9500
145 NDM 0.9498
146 3ID 0.9498
147 3F0 0.9496
148 5OB 0.9495
149 8ZE 0.9494
150 BZ3 0.9493
151 M5K 0.9492
152 39O 0.9487
153 3HA 0.9487
154 KJU 0.9484
155 PZI 0.9483
156 9MG 0.9482
157 QUZ 0.9481
158 5H1 0.9480
159 4JT 0.9480
160 HQD 0.9479
161 5MB 0.9479
162 6AI 0.9479
163 XAZ 0.9479
164 0W8 0.9478
165 14O 0.9475
166 FOT 0.9475
167 NPY 0.9473
168 F60 0.9472
169 4Z4 0.9472
170 DHB 0.9471
171 ABV 0.9470
172 42A 0.9469
173 1XN 0.9469
174 8TX 0.9469
175 11S 0.9468
176 SKA 0.9464
177 92K 0.9463
178 N2I 0.9463
179 ES9 0.9462
180 BTY 0.9461
181 JND 0.9461
182 DMD 0.9459
183 ZYR 0.9459
184 3WA 0.9457
185 KDV 0.9457
186 2BG 0.9456
187 3M0 0.9456
188 B55 0.9456
189 TOF 0.9453
190 EA1 0.9452
191 IJZ 0.9451
192 9TZ 0.9451
193 67N 0.9449
194 M0W 0.9449
195 M1A 0.9448
196 JBQ 0.9448
197 DOB 0.9444
198 6M9 0.9443
199 INO 0.9443
200 VNL 0.9442
201 LZM 0.9441
202 15L 0.9440
203 2K4 0.9440
204 H4N 0.9439
205 SHG 0.9439
206 5NU 0.9437
207 R9Y 0.9436
208 MT0 0.9435
209 AJY 0.9434
210 F0J 0.9432
211 75K 0.9432
212 SXS 0.9430
213 NNO 0.9429
214 XX2 0.9428
215 FK1 0.9428
216 4M0 0.9428
217 V55 0.9427
218 G5V 0.9427
219 8W9 0.9427
220 7VS 0.9425
221 SVN 0.9425
222 LGC 0.9424
223 4A3 0.9423
224 FDB 0.9423
225 MYJ 0.9421
226 BHA 0.9420
227 GCU 0.9420
228 FBB 0.9419
229 CLZ 0.9418
230 K2T 0.9416
231 0RW 0.9416
232 2HO 0.9414
233 ISZ 0.9414
234 36R 0.9414
235 9FL 0.9414
236 G6D 0.9414
237 CLW 0.9413
238 HJP 0.9412
239 SOR 0.9410
240 GDE 0.9409
241 M1H 0.9409
242 15E 0.9405
243 GVG 0.9405
244 495 0.9404
245 FHB 0.9403
246 F05 0.9403
247 4ME 0.9400
248 CTL 0.9399
249 1M2 0.9397
250 BHO 0.9397
251 5RO 0.9396
252 LKA 0.9395
253 Q71 0.9394
254 93K 0.9392
255 CHB 0.9391
256 TH7 0.9390
257 Q6T 0.9390
258 0FK 0.9389
259 P9P 0.9386
260 VGD 0.9386
261 3HM 0.9385
262 BCU 0.9385
263 SAL 0.9383
264 8HC 0.9382
265 MR1 0.9382
266 DNF 0.9381
267 ORO 0.9379
268 2MI 0.9378
269 9TW 0.9377
270 B57 0.9377
271 TTY 0.9376
272 8IG 0.9375
273 9R5 0.9374
274 ES2 0.9373
275 173 0.9373
276 2AL 0.9373
277 1DW 0.9373
278 1P8 0.9372
279 4AA 0.9372
280 NIZ 0.9372
281 97T 0.9372
282 CFI 0.9371
283 25W 0.9370
284 GAB 0.9368
285 ET2 0.9367
286 5CU 0.9365
287 ESI 0.9364
288 RXA 0.9364
289 9EW 0.9361
290 F31 0.9360
291 OXC 0.9358
292 XIY 0.9357
293 DBX 0.9355
294 PQ0 0.9355
295 270 0.9354
296 AX7 0.9354
297 HLR 0.9354
298 GUN 0.9354
299 EQT 0.9353
300 NOJ 0.9352
301 DRL 0.9351
302 5GU 0.9350
303 I1E 0.9350
304 GXY 0.9350
305 6M4 0.9350
306 42C 0.9349
307 8NY 0.9348
308 QSB 0.9348
309 HLZ 0.9347
310 CFF 0.9346
311 20J 0.9346
312 KBB 0.9345
313 2LY 0.9344
314 HPA 0.9344
315 3HB 0.9344
316 AZA 0.9343
317 TGX 0.9341
318 J9Q 0.9340
319 7ME 0.9338
320 HMH 0.9336
321 MO8 0.9335
322 XM0 0.9335
323 JUG 0.9332
324 DHK 0.9332
325 JA8 0.9331
326 92P 0.9330
327 SHA 0.9330
328 UAN 0.9330
329 M0Q 0.9330
330 JG8 0.9328
331 5VM 0.9327
332 EVA 0.9327
333 3R6 0.9326
334 B5D 0.9324
335 53C 0.9324
336 1IT 0.9323
337 9CA 0.9323
338 FDR 0.9322
339 0JD 0.9321
340 IGA 0.9319
341 7VJ 0.9319
342 FYU 0.9318
343 ADE 0.9318
344 2CK 0.9317
345 4CS 0.9317
346 F9Y 0.9316
347 P92 0.9312
348 SYV 0.9312
349 1KP 0.9312
350 5JQ 0.9312
351 HHA 0.9310
352 SWA 0.9310
353 BTE 0.9309
354 INE 0.9308
355 6MP 0.9306
356 2H5 0.9305
357 9DG 0.9304
358 GM7 0.9303
359 HZQ 0.9303
360 JBK 0.9302
361 HA5 0.9301
362 0HO 0.9300
363 DBJ 0.9300
364 HKD 0.9300
365 3Z7 0.9300
366 CFP 0.9299
367 EYK 0.9298
368 VK3 0.9296
369 JXN 0.9294
370 Q77 0.9294
371 1WG 0.9293
372 7NI 0.9293
373 HIS 0.9292
374 GZ8 0.9291
375 ICO 0.9290
376 JAE 0.9290
377 SOE 0.9290
378 C2Y 0.9288
379 XAN 0.9288
380 GJS 0.9287
381 7MU 0.9287
382 9KT 0.9287
383 PEY 0.9285
384 7B3 0.9285
385 2CQ 0.9285
386 15N 0.9281
387 5WX 0.9280
388 9DA 0.9277
389 EN1 0.9277
390 AW5 0.9275
391 5RN 0.9275
392 BP1 0.9275
393 5JL 0.9274
394 0HN 0.9274
395 IHB 0.9273
396 3NY 0.9273
397 KTW 0.9272
398 209 0.9272
399 NDH 0.9270
400 34D 0.9269
401 C2U 0.9268
402 SRO 0.9268
403 5HN 0.9267
404 94W 0.9267
405 G1O 0.9267
406 9HX 0.9267
407 JYB 0.9266
408 9FE 0.9264
409 10L 0.9261
410 LDP 0.9261
411 AKH 0.9259
412 BE2 0.9259
413 QAT 0.9258
414 3AB 0.9258
415 6RQ 0.9257
416 JBE 0.9257
417 NID 0.9257
418 NQ 0.9256
419 XXR 0.9256
420 3U4 0.9254
421 FLV 0.9254
422 6NT 0.9254
423 1A7 0.9251
424 QWN 0.9251
425 HQJ 0.9250
426 28N 0.9250
427 SKM 0.9249
428 2K8 0.9248
429 L5V 0.9247
430 E1T 0.9247
431 3NT 0.9245
432 DEE 0.9245
433 ZVO 0.9241
434 BPU 0.9240
435 GYE 0.9240
436 150 0.9236
437 DIU 0.9236
438 PHU 0.9234
439 7ZE 0.9234
440 8GC 0.9234
441 TWO 0.9234
442 SWD 0.9233
443 7WA 0.9232
444 4ZC 0.9232
445 FBM 0.9231
446 8WO 0.9231
447 GTR 0.9231
448 069 0.9230
449 OVV 0.9229
450 DOR 0.9229
451 2ZM 0.9228
452 37T 0.9228
453 OVM 0.9227
454 FGZ 0.9226
455 D07 0.9226
456 0W1 0.9226
457 226 0.9223
458 KJY 0.9223
459 TEP 0.9222
460 0XT 0.9221
461 QAS 0.9220
462 I6G 0.9219
463 LI6 0.9218
464 C9E 0.9216
465 3DO 0.9216
466 JTH 0.9216
467 1PT 0.9216
468 EUG 0.9212
469 4SV 0.9211
470 TPA 0.9211
471 2HU 0.9209
472 ES6 0.9209
473 141 0.9209
474 QXW 0.9208
475 680 0.9206
476 F12 0.9206
477 39A 0.9205
478 5NI 0.9205
479 5WY 0.9205
480 GCB 0.9205
481 3A9 0.9204
482 HDH 0.9204
483 GZL 0.9204
484 7HP 0.9202
485 8OZ 0.9202
486 H33 0.9200
487 MS9 0.9200
488 6VD 0.9200
489 AHR 0.9199
490 EDR 0.9196
491 CWJ 0.9195
492 M1E 0.9194
493 ABI 0.9191
494 LSA 0.9191
495 1F1 0.9190
496 PFB 0.9189
497 290 0.9185
498 ODO 0.9185
499 WCE 0.9182
500 A2F 0.9182
501 2ZQ 0.9180
502 B53 0.9179
503 CH9 0.9179
504 9ZE 0.9177
505 OA3 0.9175
506 D1X 0.9175
507 3BZ 0.9174
508 XQG 0.9173
509 8NX 0.9167
510 ES4 0.9167
511 YSO 0.9167
512 6AP 0.9166
513 GRE 0.9166
514 BZ2 0.9166
515 DX4 0.9166
516 GLA 0.9166
517 EXO 0.9166
518 EJZ 0.9165
519 2FY 0.9164
520 DX3 0.9164
521 QPR 0.9164
522 8H8 0.9161
523 52C 0.9161
524 0F9 0.9160
525 Z5P 0.9160
526 XYP 0.9160
527 NMJ 0.9158
528 F9P 0.9158
529 4XR 0.9158
530 3MB 0.9156
531 JKE 0.9156
532 YH7 0.9155
533 Q7A 0.9155
534 IWT 0.9154
535 WOO 0.9154
536 7WR 0.9152
537 6GU 0.9151
538 2A9 0.9150
539 HX3 0.9150
540 AX3 0.9150
541 LXC 0.9150
542 PM6 0.9149
543 ALL 0.9149
544 6NI 0.9147
545 PXM 0.9146
546 KOJ 0.9145
547 HHS 0.9144
548 NPO 0.9143
549 6M1 0.9143
550 261 0.9142
551 PHB 0.9141
552 RMN 0.9141
553 4P5 0.9140
554 6F0 0.9138
555 BCP 0.9137
556 344 0.9135
557 X0V 0.9135
558 82I 0.9135
559 RAM 0.9135
560 23A 0.9134
561 E35 0.9133
562 G2F 0.9133
563 3MG 0.9133
564 ZZZ 0.9132
565 QSH 0.9131
566 45C 0.9129
567 GIO 0.9129
568 GIV 0.9129
569 AZG 0.9128
570 OAA 0.9128
571 149 0.9128
572 7WV 0.9126
573 BOA 0.9126
574 1WD 0.9125
575 ROI 0.9123
576 BRT 0.9122
577 3QV 0.9122
578 CTS 0.9120
579 IFP 0.9119
580 L99 0.9117
581 FAN 0.9116
582 5NE 0.9114
583 1XM 0.9113
584 HBD 0.9113
585 TSS 0.9111
586 H7Y 0.9110
587 4TU 0.9109
588 EV0 0.9106
589 6QF 0.9106
590 ASO 0.9106
591 4SX 0.9106
592 NTZ 0.9106
593 2ZV 0.9104
594 BSX 0.9103
595 12B 0.9102
596 V1T 0.9100
597 M2K 0.9099
598 ISE 0.9099
599 EKZ 0.9098
600 SLS 0.9097
601 HH5 0.9096
602 LNR 0.9095
603 TT4 0.9095
604 AC0 0.9095
605 PHH 0.9094
606 M58 0.9094
607 TC7 0.9093
608 6PC 0.9093
609 FUL 0.9093
610 ZZT 0.9092
611 GJP 0.9091
612 4RU 0.9091
613 4KL 0.9091
614 IPB 0.9090
615 PZA 0.9090
616 23J 0.9090
617 JDN 0.9089
618 UNU 0.9086
619 2KA 0.9085
620 FP1 0.9085
621 2FG 0.9084
622 MBG 0.9084
623 826 0.9083
624 NBZ 0.9082
625 PHT 0.9082
626 ONR 0.9080
627 BEZ 0.9080
628 VGL 0.9080
629 YQA 0.9080
630 NCA 0.9079
631 NIO 0.9078
632 KTJ 0.9078
633 DGJ 0.9076
634 BEN 0.9075
635 BAM 0.9075
636 MCT 0.9075
637 4XV 0.9074
638 1Y6 0.9074
639 HNQ 0.9074
640 L22 0.9074
641 BK9 0.9072
642 F4Z 0.9071
643 MAN 0.9071
644 3FH 0.9070
645 E5X 0.9070
646 PBC 0.9069
647 NCT 0.9069
648 HBO 0.9062
649 4WL 0.9062
650 KBG 0.9061
651 1QP 0.9059
652 4HM 0.9059
653 4ZE 0.9058
654 NTN 0.9058
655 4V2 0.9057
656 4JJ 0.9057
657 N7I 0.9057
658 0CU 0.9056
659 717 0.9056
660 DEN 0.9055
661 F2W 0.9055
662 4ZA 0.9054
663 4CL 0.9054
664 QOS 0.9053
665 1HN 0.9052
666 NSP 0.9051
667 X05 0.9050
668 2AC 0.9050
669 PAB 0.9050
670 BMA 0.9050
671 OMD 0.9049
672 G12 0.9048
673 YCP 0.9048
674 30G 0.9047
675 DE5 0.9046
676 24B 0.9046
677 12T 0.9045
678 NK 0.9045
679 3DM 0.9045
680 X8D 0.9044
681 MWM 0.9043
682 ICB 0.9043
683 ASC 0.9040
684 JZ2 0.9040
685 PBZ 0.9040
686 F5B 0.9040
687 FHC 0.9040
688 M1Z 0.9039
689 4HO 0.9036
690 TIU 0.9036
691 27Y 0.9035
692 4FH 0.9035
693 JF2 0.9035
694 MZG 0.9035
695 XYD 0.9034
696 2YU 0.9034
697 UFV 0.9033
698 0FN 0.9033
699 1GN 0.9033
700 A13 0.9032
701 TH0 0.9032
702 SS1 0.9032
703 XBZ 0.9031
704 4XS 0.9031
705 ZZ8 0.9030
706 OW4 0.9030
707 BZJ 0.9030
708 2MP 0.9029
709 IND 0.9029
710 43M 0.9029
711 X0W 0.9028
712 EOL 0.9028
713 4MA 0.9027
714 7MX 0.9027
715 34A 0.9024
716 S76 0.9024
717 6BL 0.9023
718 BZI 0.9023
719 4JP 0.9023
720 1MC 0.9022
721 URF 0.9021
722 JU2 0.9021
723 AY4 0.9020
724 MWJ 0.9018
725 KTA 0.9018
726 GOX 0.9018
727 TDR 0.9017
728 DNA 0.9017
729 VOH 0.9016
730 AC6 0.9014
731 1U6 0.9013
732 E7S 0.9012
733 0R1 0.9011
734 ESP 0.9011
735 PBA 0.9010
736 LZ1 0.9009
737 GCO 0.9007
738 WBU 0.9006
739 NTM 0.9005
740 KIB 0.9005
741 PYD 0.9004
742 L3Q 0.9004
743 J6W 0.9003
744 MLT 0.9001
745 JP2 0.9000
746 MPI 0.9000
747 A1U 0.8999
748 BZF 0.8998
749 5JC 0.8998
750 PHE 0.8997
751 INS 0.8997
752 K3Q 0.8997
753 JAW 0.8996
754 2O6 0.8996
755 JB8 0.8994
756 BR9 0.8993
757 5MH 0.8993
758 IFL 0.8991
759 DNC 0.8990
760 IDM 0.8990
761 DHR 0.8986
762 ICP 0.8986
763 8XQ 0.8986
764 EXD 0.8983
765 F4E 0.8983
766 IAC 0.8982
767 PDC 0.8981
768 HMU 0.8981
769 UEG 0.8981
770 APG 0.8981
771 9AP 0.8978
772 GVH 0.8978
773 QX2 0.8978
774 GV9 0.8976
775 FBT 0.8976
776 3OC 0.8975
777 PD2 0.8975
778 ESX 0.8974
779 NVU 0.8974
780 OK7 0.8972
781 TM7 0.8972
782 JLZ 0.8972
783 ADK 0.8972
784 268 0.8971
785 4VS 0.8971
786 PRZ 0.8970
787 7I2 0.8970
788 51R 0.8967
789 PX7 0.8967
790 FBV 0.8966
791 H5B 0.8966
792 XXP 0.8964
793 X11 0.8963
794 K34 0.8962
795 FQI 0.8960
796 ANC 0.8960
797 X09 0.8960
798 HT4 0.8959
799 IF7 0.8959
800 M4T 0.8959
801 3RK 0.8959
802 TIY 0.8957
803 5VL 0.8957
804 GXL 0.8955
805 YIO 0.8953
806 MXN 0.8952
807 GAF 0.8951
808 GNM 0.8950
809 GLY PRO 0.8950
810 AN3 0.8949
811 PNZ 0.8948
812 68A 0.8947
813 LDR 0.8947
814 06B 0.8947
815 5TY 0.8946
816 174 0.8946
817 KIA 0.8945
818 6FZ 0.8945
819 ADA 0.8945
820 GLT 0.8944
821 5UC 0.8944
822 27B 0.8944
823 3J8 0.8942
824 BCF 0.8941
825 PIM 0.8940
826 QSC 0.8940
827 PJW 0.8940
828 TYL 0.8938
829 5CL 0.8938
830 BSP 0.8937
831 GHM 0.8935
832 PKU 0.8935
833 0CT 0.8935
834 BPY 0.8935
835 18N 0.8935
836 7CZ 0.8934
837 GOJ 0.8933
838 2A7 0.8933
839 42J 0.8933
840 BZE 0.8933
841 X6X 0.8932
842 PEA 0.8932
843 EGR 0.8931
844 6R8 0.8931
845 JF1 0.8930
846 JXW 0.8930
847 N0Z 0.8929
848 5WU 0.8928
849 BBF 0.8927
850 3MA 0.8927
851 JZ3 0.8926
852 B2J 0.8926
853 H4E 0.8924
854 FBU 0.8924
855 1P3 0.8924
856 NOY 0.8923
857 XCZ 0.8921
858 QWW 0.8921
859 DIE 0.8921
860 DYA 0.8920
861 OVP 0.8920
862 RSO 0.8920
863 091 0.8918
864 KYA 0.8917
865 Z82 0.8916
866 XBT 0.8916
867 PIY 0.8913
868 ANN 0.8913
869 1AL 0.8912
870 P72 0.8911
871 FBW 0.8910
872 FUD 0.8910
873 6TZ 0.8910
874 HFB 0.8909
875 MSR 0.8909
876 ZWZ 0.8909
877 OTR 0.8909
878 TLD 0.8908
879 VNJ 0.8908
880 KLW 0.8906
881 14J 0.8903
882 K32 0.8903
883 0TR 0.8902
884 DHY 0.8902
885 XYL 0.8900
886 XYS 0.8899
887 SW7 0.8898
888 8G0 0.8897
889 4BZ 0.8897
890 4JO 0.8896
891 6KT 0.8895
892 SRT 0.8893
893 AEF 0.8893
894 0R0 0.8892
895 EMZ 0.8892
896 P3K 0.8892
897 B56 0.8891
898 JIF 0.8890
899 F6P 0.8890
900 FA3 0.8889
901 2F6 0.8883
902 J9N 0.8880
903 IBF 0.8880
904 Y8I 0.8879
905 CK2 0.8877
906 GBD 0.8877
907 0BP 0.8877
908 61M 0.8876
909 ZZ3 0.8875
910 CN0 0.8873
911 QIC 0.8873
912 T6C 0.8873
913 4VY 0.8873
914 GOG 0.8872
915 FDK 0.8872
916 FB1 0.8872
917 LCN 0.8871
918 FF2 0.8870
919 IT2 0.8870
920 AKG 0.8870
921 5NS 0.8868
922 UNJ 0.8867
923 PA1 0.8867
924 8XL 0.8866
925 HA7 0.8866
926 I1N 0.8866
927 JXZ 0.8864
928 JFD 0.8862
929 7VP 0.8860
930 R20 0.8860
931 G4D 0.8860
932 SVD 0.8859
933 DFB 0.8859
934 ZME 0.8859
935 329 0.8858
936 F1A 0.8858
937 HBA 0.8858
938 K6X 0.8857
939 428 0.8856
940 JR2 0.8855
941 NAG 0.8854
942 JZ9 0.8853
943 F81 0.8853
944 SYA 0.8852
945 2LP 0.8849
946 APS 0.8849
947 R8S 0.8849
948 DQN 0.8845
949 3BU 0.8845
950 CXF 0.8843
951 RSF 0.8843
952 1XA 0.8842
953 RAT 0.8842
954 K22 0.8841
955 1Z6 0.8840
956 K17 0.8837
957 GAG 0.8835
958 OXQ 0.8834
959 PAC 0.8834
960 AMG 0.8834
961 ARP 0.8833
962 FH2 0.8831
963 FRU 0.8831
964 LZ2 0.8829
965 9RW 0.8829
966 95Z 0.8829
967 SG2 0.8828
968 SNU 0.8827
969 HXX 0.8827
970 RIP 0.8826
971 KFH 0.8825
972 RUY 0.8824
973 4FA 0.8822
974 RD4 0.8821
975 HX4 0.8820
976 TAG 0.8820
977 SJ5 0.8820
978 K5W 0.8820
979 PCI 0.8820
980 3XX 0.8819
981 X0U 0.8818
982 ZXD 0.8818
983 SMN 0.8817
984 YRL 0.8815
985 LMR 0.8814
986 TBS 0.8814
987 DRG 0.8812
988 IUR 0.8812
989 293 0.8811
990 GOO 0.8811
991 DMJ 0.8810
992 QBM 0.8809
993 GO8 0.8808
994 RPQ 0.8807
995 64C 0.8807
996 3SK 0.8806
997 9PY 0.8806
998 FUC 0.8804
999 MVL 0.8804
1000 1L5 0.8803
1001 3TJ 0.8803
1002 3SL 0.8803
1003 0MK 0.8803
1004 4BL 0.8802
1005 ZBT 0.8802
1006 7MH 0.8799
1007 948 0.8798
1008 M4E 0.8795
1009 F3B 0.8793
1010 MPV 0.8793
1011 FK8 0.8792
1012 SAN 0.8791
1013 PPY 0.8791
1014 FCR 0.8789
1015 AA 0.8787
1016 GCW 0.8786
1017 A5E 0.8784
1018 35C 0.8782
1019 BNL 0.8782
1020 BIK 0.8781
1021 MB1 0.8781
1022 1WC 0.8781
1023 AIN 0.8780
1024 KYD 0.8779
1025 BNT 0.8779
1026 LYL 0.8778
1027 4VP 0.8778
1028 DHS 0.8777
1029 GT0 0.8776
1030 3ZB 0.8776
1031 TZF 0.8776
1032 36E 0.8775
1033 60P 0.8773
1034 4BY 0.8770
1035 0LH 0.8770
1036 LAO 0.8770
1037 2HC 0.8769
1038 TSU 0.8769
1039 IFM 0.8769
1040 692 0.8768
1041 HPS 0.8763
1042 6OT 0.8761
1043 DFU 0.8761
1044 NHG 0.8761
1045 537 0.8760
1046 6X9 0.8758
1047 A65 0.8756
1048 FSW 0.8756
1049 OW7 0.8754
1050 HTP 0.8753
1051 XDE 0.8751
1052 2PG 0.8750
1053 4P0 0.8749
1054 4AN 0.8749
1055 FA1 0.8749
1056 ALE 0.8748
1057 RM4 0.8746
1058 MOK 0.8741
1059 ANF 0.8739
1060 MT5 0.8738
1061 FBG 0.8738
1062 MHK 0.8737
1063 THA 0.8736
1064 ZB1 0.8733
1065 CIY 0.8733
1066 RJY 0.8732
1067 Q02 0.8730
1068 QMP 0.8730
1069 CPZ 0.8730
1070 KW8 0.8730
1071 AZF 0.8729
1072 OHP 0.8729
1073 AAS 0.8728
1074 6LW 0.8726
1075 CCV 0.8724
1076 PO6 0.8723
1077 5LA 0.8723
1078 RHU 0.8723
1079 2JK 0.8722
1080 DPT 0.8722
1081 NBG 0.8722
1082 FB2 0.8721
1083 JKZ 0.8721
1084 HIO 0.8720
1085 8GK 0.8720
1086 R2P 0.8719
1087 MZB 0.8718
1088 NGO 0.8716
1089 GZ2 0.8716
1090 AMR 0.8714
1091 FBS 0.8714
1092 GCV 0.8714
1093 RB5 0.8711
1094 4NM 0.8711
1095 MFB 0.8711
1096 FCA 0.8710
1097 8MO 0.8710
1098 1X7 0.8709
1099 GJZ 0.8709
1100 XXG 0.8709
1101 HSO 0.8708
1102 RNS 0.8707
1103 MAJ 0.8704
1104 GF4 0.8703
1105 BNF 0.8702
1106 2SX 0.8702
1107 4A5 0.8700
1108 MT8 0.8700
1109 GIM 0.8698
1110 259 0.8697
1111 MNM 0.8697
1112 CKA 0.8689
1113 D3G 0.8686
1114 GTL 0.8686
1115 BDF 0.8685
1116 H62 0.8684
1117 2MN 0.8683
1118 R8A 0.8683
1119 NLA 0.8682
1120 3AL 0.8680
1121 FPY 0.8679
1122 M78 0.8677
1123 XX3 0.8677
1124 4JM 0.8676
1125 TBP 0.8676
1126 PMB 0.8676
1127 OGA 0.8676
1128 2GS 0.8676
1129 AEZ 0.8676
1130 7N0 0.8675
1131 H8N 0.8675
1132 6DP 0.8675
1133 E3D 0.8672
1134 K37 0.8672
1135 6E8 0.8671
1136 HCI 0.8671
1137 GO2 0.8670
1138 RIB 0.8670
1139 ABE 0.8670
1140 TFU 0.8670
1141 IDH 0.8667
1142 DK1 0.8666
1143 O2A 0.8665
1144 4J8 0.8662
1145 KGK 0.8661
1146 7MK 0.8660
1147 DHC 0.8657
1148 DA4 0.8655
1149 L7T 0.8655
1150 7D2 0.8655
1151 FCB 0.8655
1152 4V6 0.8653
1153 3QM 0.8650
1154 4AV 0.8649
1155 OXZ 0.8649
1156 P7Y 0.8647
1157 EVF 0.8641
1158 A09 0.8640
1159 M5N 0.8640
1160 N1E 0.8639
1161 GTZ 0.8638
1162 DS0 0.8637
1163 TAR 0.8637
1164 SYR 0.8636
1165 1DV 0.8635
1166 FHN 0.8635
1167 DQA 0.8635
1168 M6Z 0.8634
1169 QY9 0.8632
1170 4NO 0.8632
1171 AP4 0.8631
1172 XQK 0.8631
1173 M3H 0.8627
1174 S60 0.8625
1175 BPN 0.8624
1176 795 0.8621
1177 3HP 0.8620
1178 MIG 0.8619
1179 SKF 0.8618
1180 N2M 0.8617
1181 TZM 0.8616
1182 4LW 0.8615
1183 J1Z 0.8612
1184 PRY 0.8610
1185 BGU 0.8610
1186 K8X 0.8609
1187 1U1 0.8603
1188 SYN 0.8603
1189 55D 0.8603
1190 39U 0.8602
1191 XLS 0.8601
1192 505 0.8600
1193 36Y 0.8600
1194 I3E 0.8599
1195 SN4 0.8598
1196 286 0.8596
1197 MBD 0.8596
1198 4NB 0.8595
1199 GSY 0.8593
1200 PCA 0.8592
1201 AL0 0.8587
1202 HBX 0.8586
1203 GIF 0.8584
1204 AH8 0.8583
1205 FA6 0.8582
1206 275 0.8581
1207 3C1 0.8580
1208 IL5 0.8580
1209 282 0.8578
1210 6XI 0.8575
1211 HLD 0.8571
1212 WOT 0.8570
1213 YTX 0.8570
1214 PYF 0.8569
1215 GLO 0.8568
1216 XUL 0.8566
1217 R6T 0.8563
1218 TP5 0.8556
1219 GGB 0.8554
1220 DEW 0.8549
1221 C21 0.8545
1222 LQ2 0.8545
1223 SR1 0.8543
1224 9UL 0.8541
1225 3C2 0.8540
1226 3CE 0.8535
1227 FUF 0.8530
1228 3MC 0.8529
1229 UQ 0.8520
1230 XM5 0.8514
1231 FBA 0.8512
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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