Receptor
PDB id Resolution Class Description Source Keywords
5ai8 1.85 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:1550;
A:1549;
A:1548;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
K2T A:1552;
 Valid;
 none;
 ic50 = 125.6 uM
164.228 C8 H8 N2 S Cc1cc...
GOL A:1551;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
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: K2T; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 K2T 1 1
2 S0E 0.521739 0.848485
3 FBB 0.511111 0.848485
4 94W 0.510638 0.805556
5 EUE 0.5 0.617021
6 6KT 0.469388 0.8
7 657 0.442308 0.7
8 EUH 0.442308 0.777778
9 ABV 0.4 0.965517
Similar Ligands (3D)
Ligand no: 1; Ligand: K2T; Similar ligands found: 1196
No: Ligand Similarity coefficient
1 5VM 0.9909
2 36R 0.9902
3 VGD 0.9898
4 CLW 0.9888
5 ES2 0.9885
6 ET2 0.9878
7 1P8 0.9872
8 MQN 0.9845
9 H42 0.9831
10 0TU 0.9776
11 4FS 0.9773
12 03V 0.9768
13 2AQ 0.9767
14 4JQ 0.9767
15 COU 0.9758
16 2HQ 0.9757
17 OCH 0.9754
18 86J 0.9747
19 ES5 0.9746
20 4YO 0.9702
21 CWJ 0.9699
22 9R5 0.9687
23 AX7 0.9680
24 XAZ 0.9680
25 J6W 0.9651
26 5MI 0.9648
27 P92 0.9638
28 14O 0.9634
29 5H1 0.9632
30 4FA 0.9631
31 XQ0 0.9630
32 2K4 0.9629
33 11S 0.9626
34 PHB 0.9626
35 8ZE 0.9622
36 F60 0.9618
37 5WV 0.9606
38 BZ3 0.9605
39 2MI 0.9603
40 270 0.9602
41 5MB 0.9585
42 H4N 0.9585
43 BZX 0.9585
44 HDH 0.9583
45 5QY 0.9583
46 5OB 0.9577
47 FK1 0.9570
48 N2I 0.9568
49 NPO 0.9566
50 6RQ 0.9562
51 PAB 0.9562
52 JB5 0.9561
53 HMH 0.9560
54 TGX 0.9559
55 3PF 0.9559
56 HBD 0.9552
57 TH7 0.9550
58 MS9 0.9546
59 ES9 0.9546
60 G3E 0.9546
61 5XC 0.9544
62 URC 0.9543
63 6AI 0.9542
64 TYL 0.9539
65 1M2 0.9535
66 1Y6 0.9532
67 7MU 0.9530
68 5JQ 0.9528
69 8NY 0.9528
70 XM0 0.9527
71 XIY 0.9524
72 2BG 0.9524
73 BTY 0.9523
74 IV2 0.9523
75 TTL 0.9522
76 8TX 0.9520
77 D48 0.9519
78 75K 0.9518
79 B62 0.9518
80 ISN 0.9515
81 FA0 0.9513
82 4M0 0.9509
83 J9Q 0.9508
84 CTL 0.9506
85 F9Y 0.9505
86 6NT 0.9504
87 XHP 0.9503
88 KDV 0.9501
89 KKN 0.9501
90 OTR 0.9501
91 YRL 0.9498
92 ES7 0.9495
93 5JL 0.9494
94 173 0.9494
95 JLZ 0.9491
96 DOB 0.9488
97 4BZ 0.9487
98 OTW 0.9485
99 J5I 0.9483
100 BHA 0.9480
101 HBA 0.9480
102 0FO 0.9479
103 PNZ 0.9479
104 FYU 0.9474
105 7W4 0.9474
106 8H8 0.9473
107 PBZ 0.9472
108 4JT 0.9470
109 I3A 0.9469
110 DQU 0.9468
111 1PT 0.9466
112 2FY 0.9464
113 7W1 0.9463
114 4MA 0.9463
115 12Q 0.9461
116 ANN 0.9454
117 SE2 0.9453
118 BGC 0.9453
119 DHR 0.9452
120 MR1 0.9452
121 BPN 0.9452
122 ISZ 0.9451
123 MSR 0.9449
124 KJU 0.9448
125 44W 0.9445
126 E5X 0.9445
127 B55 0.9443
128 8WO 0.9442
129 5NU 0.9441
130 JAE 0.9441
131 BHO 0.9439
132 6ME 0.9438
133 9FL 0.9437
134 RM1 0.9437
135 5NI 0.9436
136 0HO 0.9435
137 1F1 0.9434
138 INO 0.9434
139 826 0.9430
140 A29 0.9429
141 3ID 0.9429
142 CFI 0.9429
143 MUA 0.9428
144 ODO 0.9428
145 717 0.9427
146 DHB 0.9427
147 5CU 0.9424
148 4XR 0.9424
149 0HN 0.9422
150 Z82 0.9420
151 174 0.9419
152 2D0 0.9417
153 MVN 0.9416
154 DMD 0.9416
155 KUF 0.9416
156 SKA 0.9416
157 2HU 0.9415
158 1P7 0.9413
159 7HQ 0.9412
160 NPY 0.9410
161 AEF 0.9407
162 4VP 0.9405
163 QUZ 0.9403
164 E7S 0.9398
165 5QX 0.9394
166 P72 0.9393
167 4P5 0.9389
168 44V 0.9388
169 2ZM 0.9388
170 SNU 0.9388
171 3DM 0.9387
172 PKU 0.9386
173 5GU 0.9385
174 HQT 0.9385
175 AC6 0.9385
176 MEW 0.9384
177 NNO 0.9383
178 9CA 0.9381
179 CWS 0.9378
180 AJ2 0.9376
181 NSP 0.9376
182 PH2 0.9376
183 6NI 0.9374
184 ES0 0.9374
185 67N 0.9373
186 QWN 0.9372
187 3MB 0.9371
188 KOJ 0.9371
189 2A9 0.9370
190 H8N 0.9368
191 TZF 0.9368
192 M1A 0.9367
193 CWM 0.9366
194 0P6 0.9366
195 069 0.9366
196 4NC 0.9365
197 OVM 0.9364
198 PZM 0.9362
199 NIZ 0.9361
200 3NY 0.9361
201 BZ2 0.9361
202 8CM 0.9359
203 3A9 0.9358
204 HIS 0.9358
205 4TU 0.9355
206 EA1 0.9355
207 PHU 0.9353
208 Q88 0.9352
209 FHB 0.9351
210 DIN 0.9350
211 92K 0.9350
212 PXL 0.9350
213 M5K 0.9348
214 Q24 0.9346
215 SW7 0.9345
216 15E 0.9345
217 0JD 0.9345
218 2AK 0.9343
219 4WL 0.9343
220 5B1 0.9342
221 6M9 0.9342
222 ABI 0.9341
223 AZ8 0.9340
224 4CS 0.9339
225 PIM 0.9339
226 A7W 0.9337
227 MRW 0.9336
228 3HM 0.9334
229 OAA 0.9334
230 GLC 0.9331
231 1IT 0.9330
232 4HC 0.9330
233 QX4 0.9330
234 CH9 0.9330
235 KJH 0.9327
236 4A3 0.9325
237 HQJ 0.9325
238 8IG 0.9323
239 5RN 0.9321
240 I1E 0.9320
241 GAB 0.9319
242 MLT 0.9319
243 AQO 0.9318
244 ICB 0.9316
245 BCU 0.9315
246 JA8 0.9311
247 NDH 0.9310
248 J9W 0.9310
249 PEA 0.9308
250 3HA 0.9306
251 P9P 0.9305
252 3QV 0.9304
253 8GC 0.9303
254 XX2 0.9302
255 MYJ 0.9302
256 GXY 0.9301
257 428 0.9301
258 4AA 0.9299
259 3F0 0.9298
260 93K 0.9297
261 SNO 0.9297
262 AHR 0.9295
263 15N 0.9294
264 SYV 0.9292
265 4BY 0.9292
266 4HM 0.9292
267 CPZ 0.9289
268 JDN 0.9288
269 3AB 0.9287
270 ESP 0.9285
271 F4E 0.9281
272 UNJ 0.9281
273 2CK 0.9280
274 AKG 0.9280
275 3HB 0.9279
276 PIY 0.9279
277 4JM 0.9278
278 TPA 0.9278
279 2HO 0.9277
280 4BL 0.9277
281 QXW 0.9277
282 4NM 0.9274
283 F9P 0.9273
284 XRG 0.9271
285 R8V 0.9270
286 PE0 0.9266
287 6FZ 0.9264
288 PQ0 0.9262
289 BEA 0.9262
290 XBT 0.9262
291 GVG 0.9262
292 PRF 0.9261
293 WCE 0.9259
294 GCS 0.9258
295 4ZA 0.9257
296 R8S 0.9257
297 DBH 0.9257
298 FBM 0.9257
299 AZ9 0.9256
300 HMU 0.9256
301 JBK 0.9252
302 LT2 0.9251
303 2EC 0.9251
304 K34 0.9249
305 OW4 0.9249
306 HC4 0.9249
307 E7Z 0.9248
308 3M0 0.9248
309 CHB 0.9248
310 C2B 0.9248
311 AMH 0.9248
312 OVV 0.9247
313 FDB 0.9243
314 TT4 0.9243
315 PBA 0.9242
316 DEN 0.9240
317 92P 0.9237
318 DE5 0.9237
319 3ZB 0.9236
320 BEN 0.9236
321 IWT 0.9235
322 2F6 0.9235
323 FQI 0.9233
324 97T 0.9233
325 0RW 0.9232
326 LDP 0.9230
327 YH7 0.9229
328 NCA 0.9229
329 KTJ 0.9229
330 XYP 0.9229
331 BEZ 0.9228
332 E1T 0.9227
333 M4E 0.9226
334 4Z4 0.9225
335 FBA 0.9225
336 6PC 0.9225
337 GTQ 0.9224
338 FDR 0.9224
339 C2Y 0.9223
340 CLZ 0.9223
341 FE DB1 0.9223
342 6TZ 0.9222
343 52C 0.9221
344 5LA 0.9220
345 ZZT 0.9220
346 F05 0.9220
347 BAM 0.9220
348 N8Y 0.9218
349 ICO 0.9218
350 53C 0.9218
351 DRL 0.9216
352 RJY 0.9215
353 2AL 0.9215
354 I3E 0.9214
355 8OZ 0.9213
356 4NB 0.9212
357 XAN 0.9211
358 6M4 0.9211
359 NOJ 0.9210
360 G3F 0.9210
361 B53 0.9208
362 24W 0.9207
363 261 0.9206
364 5RG 0.9204
365 GZL 0.9204
366 TH0 0.9203
367 5HN 0.9202
368 SN4 0.9202
369 TSS 0.9201
370 QSB 0.9199
371 HX3 0.9198
372 GUN 0.9198
373 9TW 0.9196
374 OK7 0.9194
375 FAN 0.9192
376 A2F 0.9191
377 IPB 0.9190
378 9EW 0.9190
379 B57 0.9190
380 IHB 0.9190
381 42A 0.9189
382 5RO 0.9188
383 ZBT 0.9188
384 9DG 0.9187
385 0N7 0.9187
386 2LY 0.9186
387 1DW 0.9186
388 HQD 0.9185
389 KT7 0.9185
390 SVN 0.9185
391 AZA 0.9183
392 BOA 0.9183
393 3NT 0.9182
394 SOE 0.9182
395 GJP 0.9181
396 C1M 0.9180
397 GAL 0.9180
398 3Z8 0.9180
399 SHA 0.9179
400 NMJ 0.9179
401 1XM 0.9176
402 1SQ 0.9175
403 54G 0.9174
404 14J 0.9174
405 HH5 0.9173
406 DX4 0.9171
407 1NP 0.9171
408 4JL 0.9170
409 LZM 0.9169
410 2FQ 0.9169
411 PAC 0.9169
412 42J 0.9168
413 BRT 0.9168
414 5SG 0.9167
415 259 0.9166
416 M4T 0.9165
417 6AP 0.9165
418 4ME 0.9164
419 141 0.9163
420 NIO 0.9162
421 DYA 0.9162
422 1KP 0.9161
423 5M0 0.9161
424 JB8 0.9161
425 5Q0 0.9161
426 IND 0.9159
427 1LQ 0.9157
428 24B 0.9157
429 BSX 0.9156
430 TSU 0.9156
431 3OC 0.9156
432 J9N 0.9154
433 SLS 0.9154
434 RSO 0.9154
435 BZI 0.9153
436 F31 0.9153
437 HQY 0.9152
438 4YS 0.9151
439 1MC 0.9151
440 AN3 0.9149
441 LXC 0.9148
442 MO8 0.9147
443 3BZ 0.9147
444 IDM 0.9147
445 5IQ 0.9145
446 L5V 0.9145
447 N5J 0.9145
448 BCP 0.9145
449 R9Y 0.9145
450 AC0 0.9144
451 A5E 0.9142
452 ESX 0.9138
453 9ZE 0.9136
454 NCT 0.9134
455 SAL 0.9133
456 0CT 0.9132
457 HHA 0.9130
458 LZ1 0.9130
459 HHR 0.9129
460 ES1 0.9128
461 UNU 0.9128
462 NTN 0.9127
463 OGA 0.9127
464 PYD 0.9126
465 12T 0.9125
466 0BP 0.9125
467 PZI 0.9125
468 0CU 0.9124
469 AZG 0.9123
470 8W9 0.9122
471 YCP 0.9121
472 DGJ 0.9119
473 AJV 0.9118
474 BZF 0.9118
475 7B4 0.9117
476 0R1 0.9116
477 JPZ 0.9115
478 8S0 0.9114
479 8WT 0.9113
480 23A 0.9113
481 F81 0.9112
482 NBZ 0.9111
483 VGL 0.9111
484 IGA 0.9110
485 FCR 0.9110
486 82I 0.9109
487 B5D 0.9108
488 NID 0.9106
489 SAN 0.9106
490 GOJ 0.9105
491 VK3 0.9105
492 JAW 0.9105
493 MPV 0.9105
494 IFP 0.9105
495 4RU 0.9104
496 BDP 0.9103
497 6CS 0.9101
498 ASO 0.9100
499 BNL 0.9100
500 1HN 0.9099
501 L99 0.9099
502 4JU 0.9098
503 PBC 0.9097
504 CFP 0.9096
505 NQ 0.9095
506 ADZ 0.9094
507 MPI 0.9094
508 RNO 0.9093
509 43M 0.9093
510 HX4 0.9092
511 PEY 0.9091
512 4SV 0.9091
513 EN1 0.9091
514 JG8 0.9090
515 FUD 0.9090
516 5MK 0.9088
517 GDE 0.9088
518 2MH 0.9087
519 BE2 0.9086
520 PZA 0.9086
521 JBH 0.9085
522 0FN 0.9085
523 KJY 0.9083
524 URF 0.9081
525 OVP 0.9081
526 SX1 0.9080
527 MCT 0.9080
528 GO2 0.9080
529 27B 0.9079
530 1LM 0.9078
531 TDR 0.9077
532 ZYR 0.9076
533 RXA 0.9075
534 290 0.9074
535 JFJ 0.9073
536 INE 0.9073
537 FP1 0.9073
538 4J8 0.9073
539 EUG 0.9073
540 M2K 0.9072
541 GVH 0.9071
542 XYD 0.9071
543 4MU 0.9069
544 AAS 0.9069
545 SKM 0.9069
546 1WG 0.9068
547 SS1 0.9065
548 LQ2 0.9064
549 8XL 0.9064
550 A7H 0.9060
551 GUA 0.9060
552 5MH 0.9059
553 JZ3 0.9059
554 NAG 0.9059
555 NK 0.9058
556 36Y 0.9058
557 4JP 0.9057
558 2CQ 0.9056
559 5UC 0.9055
560 3U4 0.9053
561 M1E 0.9053
562 GLN 0.9053
563 QWW 0.9052
564 BE7 0.9051
565 7VP 0.9050
566 39O 0.9050
567 6VD 0.9050
568 0F9 0.9050
569 0W8 0.9048
570 PDC 0.9047
571 4HO 0.9046
572 M1Q 0.9046
573 JBE 0.9044
574 ES6 0.9041
575 IUR 0.9041
576 XBZ 0.9041
577 FBS 0.9041
578 ICP 0.9040
579 LMR 0.9040
580 TWO 0.9039
581 QBK 0.9036
582 5JC 0.9035
583 150 0.9032
584 2HC 0.9031
585 8NX 0.9030
586 9FE 0.9030
587 R20 0.9030
588 7VS 0.9029
589 RSF 0.9029
590 275 0.9027
591 X0V 0.9027
592 PHE 0.9026
593 IF7 0.9025
594 G5V 0.9024
595 5VL 0.9024
596 MZG 0.9023
597 PJW 0.9022
598 PRZ 0.9022
599 PYQ 0.9021
600 4JO 0.9021
601 ASC 0.9020
602 42C 0.9019
603 P3K 0.9019
604 4XH 0.9019
605 GLA 0.9019
606 4XV 0.9017
607 SWA 0.9017
608 PD2 0.9016
609 JZ2 0.9016
610 JKE 0.9016
611 4ZE 0.9015
612 MAQ 0.9014
613 AMC 0.9014
614 DHK 0.9012
615 M3H 0.9011
616 N3W 0.9011
617 NFM 0.9010
618 B60 0.9010
619 MWP 0.9010
620 VNL 0.9010
621 HA5 0.9010
622 O72 0.9009
623 CXF 0.9005
624 1L5 0.9004
625 9MG 0.9003
626 34A 0.9002
627 MWM 0.9002
628 7WV 0.9002
629 IAC 0.9002
630 IFL 0.9001
631 ESI 0.9001
632 NOY 0.9001
633 HLR 0.9000
634 2HG 0.9000
635 DBX 0.8998
636 M6N 0.8997
637 X0U 0.8997
638 GCU 0.8996
639 TYR 0.8995
640 SRT 0.8994
641 HH8 0.8994
642 GWM 0.8994
643 4CL 0.8994
644 TTY 0.8994
645 4JJ 0.8993
646 M45 0.8993
647 2MP 0.8992
648 L14 0.8992
649 209 0.8991
650 2KA 0.8988
651 SOR 0.8988
652 WBU 0.8987
653 QX2 0.8986
654 4JC 0.8986
655 20J 0.8985
656 36E 0.8983
657 RMN 0.8982
658 XQG 0.8981
659 4XS 0.8980
660 Z5P 0.8979
661 2AC 0.8978
662 PXY 0.8976
663 2BX 0.8976
664 6GU 0.8974
665 APZ 0.8973
666 Q6T 0.8973
667 MWJ 0.8973
668 M1H 0.8973
669 4SX 0.8973
670 HQE 0.8973
671 G6D 0.8973
672 1P3 0.8972
673 FHC 0.8972
674 DNF 0.8971
675 8NB 0.8971
676 HLZ 0.8968
677 ADE 0.8968
678 HHH 0.8968
679 GYE 0.8968
680 3DO 0.8967
681 TLD 0.8967
682 4FH 0.8966
683 A7N 0.8966
684 2K8 0.8966
685 27Y 0.8964
686 AL0 0.8963
687 3R4 0.8962
688 BPY 0.8961
689 IDH 0.8960
690 OHG 0.8960
691 KTW 0.8959
692 GIF 0.8959
693 HSO 0.8958
694 PPY 0.8957
695 8G0 0.8956
696 TC7 0.8956
697 FPY 0.8956
698 YPN 0.8953
699 JND 0.8953
700 37T 0.8951
701 4VY 0.8951
702 JZ9 0.8950
703 9TZ 0.8950
704 BNF 0.8950
705 2H5 0.8949
706 RHU 0.8948
707 OW7 0.8947
708 FGZ 0.8946
709 RB5 0.8945
710 Q71 0.8945
711 BR9 0.8944
712 7WG 0.8943
713 M4S 0.8942
714 1A7 0.8941
715 S2G 0.8941
716 AMS 0.8940
717 HPA 0.8940
718 3FH 0.8940
719 5XB 0.8938
720 L22 0.8937
721 RBL 0.8937
722 7NI 0.8936
723 PCR 0.8936
724 MAJ 0.8936
725 EV0 0.8931
726 AJY 0.8931
727 2YU 0.8931
728 25R 0.8930
729 FPI 0.8929
730 A1U 0.8928
731 SRO 0.8928
732 6M1 0.8928
733 RD4 0.8926
734 V55 0.8926
735 2FG 0.8926
736 H33 0.8925
737 PLQ 0.8925
738 DVQ 0.8925
739 32X 0.8924
740 1DV 0.8923
741 F0J 0.8921
742 1WD 0.8921
743 45C 0.8919
744 LNR 0.8918
745 3BU 0.8918
746 GAF 0.8918
747 XYL 0.8917
748 GF4 0.8917
749 FBW 0.8917
750 EKZ 0.8915
751 10L 0.8914
752 AA 0.8914
753 FA1 0.8912
754 MAE 0.8911
755 344 0.8908
756 QSC 0.8908
757 BTE 0.8908
758 4I8 0.8908
759 4LW 0.8908
760 F4Z 0.8907
761 3XX 0.8906
762 M58 0.8905
763 BML 0.8905
764 LG4 0.8905
765 QMP 0.8905
766 GRE 0.8904
767 51R 0.8903
768 KIB 0.8901
769 8HC 0.8901
770 DRG 0.8901
771 Q02 0.8900
772 DFB 0.8899
773 PH3 0.8898
774 30G 0.8896
775 0FK 0.8895
776 SYN 0.8895
777 TCA 0.8895
778 CTS 0.8894
779 6MP 0.8894
780 HT4 0.8893
781 FUL 0.8893
782 7MX 0.8893
783 RIP 0.8892
784 268 0.8890
785 5TY 0.8890
786 68A 0.8889
787 DHQ 0.8889
788 HBX 0.8888
789 149 0.8887
790 3R6 0.8883
791 1SA 0.8882
792 0MK 0.8881
793 DIE 0.8880
794 2LP 0.8880
795 DIU 0.8880
796 XYS 0.8880
797 PYF 0.8879
798 BP1 0.8879
799 LKA 0.8878
800 4V2 0.8877
801 4HS 0.8877
802 AX3 0.8876
803 K5W 0.8876
804 AKH 0.8874
805 LPK 0.8872
806 PRA 0.8872
807 EYK 0.8871
808 GJZ 0.8871
809 GTR 0.8870
810 MNM 0.8869
811 ANF 0.8868
812 RIB 0.8868
813 3WA 0.8867
814 7O4 0.8867
815 APG 0.8867
816 QSH 0.8866
817 LYL 0.8865
818 HPS 0.8865
819 BPU 0.8865
820 FPN 0.8864
821 0R0 0.8863
822 EQT 0.8861
823 G2F 0.8861
824 S7J 0.8861
825 152 0.8861
826 JYB 0.8861
827 CN0 0.8860
828 ONR 0.8860
829 3IT 0.8860
830 LCN 0.8859
831 K32 0.8858
832 ZXD 0.8858
833 J1Z 0.8858
834 TM7 0.8856
835 3SL 0.8856
836 GIV 0.8856
837 BZJ 0.8855
838 JBZ 0.8854
839 25W 0.8854
840 9DA 0.8853
841 TIU 0.8852
842 5WY 0.8852
843 EVA 0.8851
844 1Z6 0.8850
845 R9S 0.8850
846 4JN 0.8849
847 LDU 0.8849
848 URO 0.8844
849 HHS 0.8844
850 PXM 0.8844
851 0W1 0.8843
852 6F0 0.8842
853 PM6 0.8841
854 MBG 0.8841
855 AGK 0.8840
856 4CH 0.8840
857 LGC 0.8840
858 7WA 0.8839
859 2GS 0.8839
860 F4K 0.8839
861 TOF 0.8838
862 2ZV 0.8838
863 OXC 0.8838
864 9KT 0.8837
865 OKG 0.8837
866 N4E 0.8837
867 282 0.8835
868 UNC 0.8835
869 45L 0.8835
870 DA1 0.8834
871 ABN 0.8834
872 QOS 0.8833
873 NBE 0.8833
874 HIO 0.8833
875 ORO 0.8833
876 X6X 0.8832
877 PFB 0.8832
878 7ZE 0.8830
879 K22 0.8829
880 7HP 0.8829
881 JBQ 0.8829
882 PCA 0.8828
883 ASP 0.8827
884 2QC 0.8826
885 DEE 0.8826
886 JZ5 0.8826
887 P9E 0.8825
888 D07 0.8824
889 WOO 0.8824
890 W81 0.8822
891 TEP 0.8821
892 PEL 0.8821
893 HJP 0.8821
894 IT2 0.8821
895 IOL 0.8819
896 2ZQ 0.8818
897 GVY 0.8817
898 9X7 0.8816
899 MT0 0.8815
900 J9T 0.8815
901 FBJ 0.8815
902 VOH 0.8814
903 VXX 0.8813
904 AEG 0.8813
905 NDM 0.8813
906 HSM 0.8813
907 9HX 0.8812
908 363 0.8812
909 Y8I 0.8812
910 SWD 0.8812
911 3AE 0.8812
912 SHG 0.8812
913 QPR 0.8810
914 DOR 0.8809
915 GGL 0.8808
916 ALL 0.8808
917 PO6 0.8807
918 7N0 0.8805
919 PY7 0.8804
920 GLO 0.8801
921 XCZ 0.8800
922 258 0.8800
923 1GN 0.8800
924 NF3 0.8800
925 MAN 0.8799
926 JU2 0.8799
927 TLA 0.8799
928 SR1 0.8799
929 3SK 0.8799
930 GNM 0.8798
931 CIT 0.8798
932 DTU 0.8798
933 KBZ 0.8797
934 GXL 0.8796
935 V1T 0.8795
936 F5B 0.8793
937 CXH 0.8792
938 UFO 0.8791
939 RNS 0.8790
940 DHS 0.8790
941 FUC 0.8788
942 VNJ 0.8788
943 495 0.8787
944 URP 0.8787
945 FOA 0.8787
946 X0W 0.8786
947 TAR 0.8785
948 449 0.8785
949 LI6 0.8784
950 XLS 0.8781
951 PFL 0.8781
952 0NX 0.8781
953 M6W 0.8780
954 GLU 0.8780
955 FDK 0.8777
956 BP9 0.8776
957 4M4 0.8776
958 XXR 0.8776
959 4ZC 0.8775
960 NDG 0.8775
961 C21 0.8774
962 ES4 0.8773
963 CFF 0.8773
964 PRO 0.8773
965 QY9 0.8772
966 DFU 0.8770
967 1XN 0.8769
968 TP5 0.8769
969 UFV 0.8769
970 THA 0.8769
971 EXO 0.8769
972 XUL 0.8767
973 G4D 0.8766
974 JXN 0.8766
975 DBJ 0.8765
976 H4E 0.8764
977 FBF 0.8764
978 HZQ 0.8763
979 OQC 0.8763
980 KTA 0.8762
981 3VX 0.8761
982 X05 0.8760
983 FCA 0.8760
984 SJ5 0.8760
985 SIN 0.8760
986 H5B 0.8758
987 5WZ 0.8757
988 RAM 0.8757
989 FB2 0.8756
990 UAN 0.8754
991 D3G 0.8754
992 795 0.8754
993 39A 0.8753
994 RA7 0.8750
995 G12 0.8749
996 K82 0.8749
997 AZM 0.8749
998 EVF 0.8748
999 36M 0.8748
1000 M0W 0.8748
1001 ADA 0.8747
1002 60P 0.8746
1003 0TR 0.8746
1004 7CZ 0.8745
1005 DX3 0.8744
1006 GLL 0.8742
1007 SKF 0.8741
1008 RAT 0.8739
1009 PMB 0.8736
1010 Y3L 0.8735
1011 DHI 0.8734
1012 HCI 0.8733
1013 C2U 0.8732
1014 BMA 0.8732
1015 GAG 0.8731
1016 9RW 0.8731
1017 SXS 0.8730
1018 EXD 0.8730
1019 2FT 0.8729
1020 HNT 0.8729
1021 DZA 0.8727
1022 F12 0.8727
1023 GLY GLY 0.8726
1024 QIV 0.8726
1025 URS 0.8726
1026 ZZZ 0.8725
1027 DHY 0.8724
1028 OMD 0.8724
1029 FB1 0.8724
1030 3RK 0.8724
1031 JTH 0.8723
1032 HBO 0.8723
1033 6FB 0.8721
1034 23J 0.8721
1035 OA3 0.8719
1036 PA1 0.8718
1037 OXQ 0.8718
1038 FLC 0.8718
1039 DS0 0.8717
1040 N2Z 0.8716
1041 2PC 0.8716
1042 1WC 0.8716
1043 SMN 0.8714
1044 7VJ 0.8714
1045 GBD 0.8713
1046 LR5 0.8713
1047 ROI 0.8712
1048 MZW 0.8712
1049 1XA 0.8712
1050 NYL 0.8711
1051 N0Z 0.8711
1052 EMZ 0.8710
1053 13P 0.8710
1054 OXZ 0.8709
1055 NGA 0.8709
1056 N91 0.8708
1057 DA4 0.8708
1058 K4V 0.8708
1059 JIF 0.8707
1060 FBV 0.8706
1061 F1A 0.8705
1062 SME 0.8705
1063 S76 0.8703
1064 4NZ 0.8703
1065 X09 0.8700
1066 1MR 0.8700
1067 95Z 0.8699
1068 GCB 0.8699
1069 680 0.8699
1070 K17 0.8699
1071 DGN 0.8699
1072 549 0.8698
1073 6QF 0.8698
1074 FOT 0.8697
1075 CK2 0.8696
1076 86L 0.8696
1077 HY3 0.8694
1078 JFD 0.8693
1079 FUM 0.8692
1080 DMJ 0.8691
1081 PYC 0.8691
1082 AW5 0.8689
1083 T6C 0.8689
1084 ZEC 0.8682
1085 FK8 0.8679
1086 XIZ 0.8679
1087 AZF 0.8679
1088 HA7 0.8678
1089 ZZ3 0.8677
1090 HKD 0.8677
1091 YIO 0.8675
1092 IFM 0.8673
1093 QIC 0.8673
1094 FH2 0.8671
1095 WOT 0.8670
1096 PEP 0.8669
1097 TZC 0.8669
1098 ALE 0.8667
1099 XDE 0.8667
1100 D1X 0.8667
1101 3Z7 0.8667
1102 PHH 0.8666
1103 3V4 0.8666
1104 7B3 0.8665
1105 BDF 0.8664
1106 3C4 0.8664
1107 TAG 0.8663
1108 TBS 0.8662
1109 JBN 0.8661
1110 XXP 0.8661
1111 0XT 0.8659
1112 265 0.8657
1113 F2W 0.8656
1114 SEP 0.8652
1115 P80 0.8652
1116 492 0.8650
1117 ABE 0.8650
1118 MTL 0.8649
1119 9AP 0.8649
1120 QUS 0.8649
1121 AY4 0.8648
1122 LDR 0.8647
1123 DPZ 0.8644
1124 A13 0.8644
1125 SD4 0.8643
1126 Q77 0.8641
1127 UEG 0.8640
1128 23W 0.8639
1129 NGT 0.8639
1130 1DU 0.8639
1131 IJZ 0.8637
1132 GOO 0.8635
1133 3HG 0.8632
1134 L3Q 0.8631
1135 2O6 0.8631
1136 ASN 0.8630
1137 4HP 0.8630
1138 FRU 0.8629
1139 R2B 0.8628
1140 7MW 0.8628
1141 CEE 0.8627
1142 BBK 0.8626
1143 286 0.8620
1144 3W8 0.8620
1145 5WX 0.8620
1146 Q7A 0.8619
1147 7MH 0.8617
1148 B85 0.8617
1149 ANC 0.8616
1150 GM7 0.8614
1151 SMV 0.8612
1152 GJS 0.8610
1153 3QM 0.8610
1154 PRY 0.8610
1155 BNS 0.8610
1156 R67 0.8610
1157 B2J 0.8609
1158 C2A 0.8609
1159 K37 0.8607
1160 5NE 0.8607
1161 MEV 0.8607
1162 NSG 0.8602
1163 3AL 0.8602
1164 GLT 0.8602
1165 35C 0.8601
1166 KMT 0.8599
1167 LSA 0.8598
1168 4KL 0.8596
1169 IOS 0.8596
1170 4XF 0.8595
1171 KYA 0.8595
1172 JP2 0.8591
1173 S60 0.8589
1174 X8D 0.8582
1175 5CL 0.8582
1176 K6X 0.8576
1177 NGO 0.8569
1178 M2H 0.8568
1179 BIK 0.8562
1180 CKA 0.8557
1181 0LH 0.8546
1182 RKV 0.8542
1183 FLV 0.8542
1184 0OC 0.8540
1185 AEH 0.8539
1186 A65 0.8538
1187 FBT 0.8535
1188 TBP 0.8527
1189 7ME 0.8527
1190 NGW 0.8523
1191 6BL 0.8519
1192 BGU 0.8516
1193 JAB 0.8514
1194 G1O 0.8514
1195 P7Y 0.8513
1196 226 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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