Receptor
PDB id Resolution Class Description Source Keywords
3WK8 2.2 Å EC: 3.3.2.10 CRYSTAL STRUCTURE OF SOLUBLE EPOXIDE HYDROLASE IN COMPLEX WI FRAGMENT INHIBITOR HOMO SAPIENS HYDROLASE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: STRUCTURAL INSIGHTS INTO BINDING OF INHIBITORS TO S EPOXIDE HYDROLASE GAINED BY FRAGMENT SCREENING AND CRYSTALLOGRAPHY BIOORG.MED.CHEM. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:602;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
S0E A:603;
Valid;
none;
ic50 = 49 uM
218.199 C8 H5 F3 N2 S c1cc2...
MG A:601;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
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: S0E; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 S0E 1 1
2 K2T 0.521739 0.848485
3 FBB 0.521739 0.939394
4 657 0.509804 0.820513
5 EUH 0.509804 0.914286
6 6KT 0.48 0.736842
7 94W 0.46 0.7
Similar Ligands (3D)
Ligand no: 1; Ligand: S0E; Similar ligands found: 860
No: Ligand Similarity coefficient
1 EUE 0.9864
2 P9E 0.9837
3 SKF 0.9759
4 AZM 0.9724
5 MAJ 0.9701
6 3W8 0.9600
7 ATX 0.9578
8 AES 0.9558
9 0JD 0.9545
10 M4S 0.9539
11 2O6 0.9535
12 IOS 0.9529
13 ZEC 0.9524
14 SLS 0.9516
15 4JE 0.9498
16 3AE 0.9495
17 36E 0.9492
18 LR5 0.9485
19 1F1 0.9485
20 15N 0.9484
21 5GT 0.9483
22 4I8 0.9480
23 FBF 0.9475
24 IAC 0.9463
25 EVF 0.9458
26 9ZE 0.9456
27 MSR 0.9440
28 SNO 0.9440
29 6NT 0.9427
30 A7N 0.9425
31 E1T 0.9423
32 GO2 0.9412
33 363 0.9411
34 5NI 0.9411
35 JDN 0.9408
36 0HN 0.9408
37 JAW 0.9406
38 4MB 0.9398
39 3A9 0.9395
40 0HO 0.9392
41 4NZ 0.9389
42 N2M 0.9388
43 4JC 0.9387
44 428 0.9382
45 CSN 0.9379
46 CPZ 0.9376
47 2ZM 0.9375
48 6NI 0.9375
49 SNU 0.9374
50 4BY 0.9368
51 4BL 0.9364
52 JB8 0.9351
53 S7J 0.9349
54 A7H 0.9347
55 CWJ 0.9347
56 NAG 0.9347
57 2HU 0.9345
58 GJP 0.9341
59 4NP 0.9337
60 RNO 0.9336
61 STX 0.9335
62 X0U 0.9332
63 1HN 0.9329
64 TZF 0.9323
65 5LA 0.9318
66 EXD 0.9314
67 9R5 0.9313
68 KBZ 0.9313
69 3ZB 0.9310
70 27B 0.9309
71 4RU 0.9305
72 AM4 0.9304
73 OQC 0.9300
74 3NY 0.9300
75 N1E 0.9296
76 88L 0.9296
77 4NS 0.9292
78 HNT 0.9291
79 M78 0.9291
80 ICB 0.9291
81 UNJ 0.9289
82 BQ2 0.9289
83 ANN 0.9285
84 DRG 0.9284
85 HA5 0.9283
86 BNX 0.9277
87 BZ2 0.9272
88 EYV 0.9271
89 4BZ 0.9269
90 ABI 0.9268
91 3R4 0.9268
92 MZM 0.9263
93 AN3 0.9262
94 4NB 0.9249
95 ESX 0.9248
96 PNZ 0.9247
97 4CM 0.9246
98 TSR 0.9243
99 7O4 0.9238
100 ZYX 0.9238
101 ESP 0.9236
102 4TU 0.9235
103 AMH 0.9232
104 K4V 0.9231
105 3W6 0.9231
106 3W3 0.9231
107 6FZ 0.9228
108 ST2 0.9228
109 UA5 0.9224
110 KYA 0.9215
111 6FB 0.9214
112 8ZE 0.9208
113 V1T 0.9203
114 VC3 0.9201
115 E5X 0.9200
116 F4K 0.9199
117 RYV 0.9197
118 68A 0.9196
119 1L5 0.9196
120 0FK 0.9194
121 OW7 0.9193
122 0F3 0.9192
123 7MW 0.9191
124 ST3 0.9189
125 54Z 0.9188
126 S7A 0.9184
127 PPY 0.9178
128 9FL 0.9174
129 3VX 0.9173
130 9CA 0.9171
131 LQ2 0.9166
132 12T 0.9164
133 2K8 0.9164
134 KMY 0.9163
135 N2I 0.9162
136 HHS 0.9162
137 1IT 0.9161
138 H4B 0.9161
139 THA 0.9158
140 5TY 0.9156
141 36Y 0.9156
142 2HC 0.9153
143 PEY 0.9153
144 Z13 0.9151
145 DDU 0.9151
146 N4E 0.9150
147 QBP 0.9150
148 F4E 0.9147
149 8HC 0.9147
150 QMS 0.9146
151 ANF 0.9146
152 7FU 0.9143
153 N91 0.9142
154 CH9 0.9142
155 BZJ 0.9140
156 L14 0.9138
157 4FH 0.9137
158 8XL 0.9137
159 30G 0.9136
160 SG2 0.9136
161 EV2 0.9135
162 4LW 0.9132
163 E3X 0.9131
164 C2Y 0.9130
165 C1M 0.9128
166 YZM 0.9126
167 TMG 0.9126
168 HBI 0.9126
169 3VS 0.9126
170 XCG 0.9126
171 PJW 0.9124
172 AA 0.9124
173 BHQ 0.9123
174 92P 0.9122
175 KDV 0.9121
176 C82 0.9114
177 ZIQ 0.9112
178 M5H 0.9110
179 2QC 0.9110
180 MP5 0.9109
181 TYL 0.9105
182 EN1 0.9105
183 M5E 0.9105
184 6ZX 0.9099
185 GDL 0.9097
186 9FE 0.9094
187 A5E 0.9091
188 3VQ 0.9091
189 36M 0.9089
190 FHC 0.9086
191 4AB 0.9085
192 GCO 0.9080
193 Y3L 0.9078
194 J6W 0.9077
195 G14 0.9076
196 E4P 0.9076
197 ESI 0.9073
198 5XC 0.9073
199 PMP 0.9072
200 2O8 0.9072
201 RD4 0.9071
202 KTW 0.9071
203 ZYR 0.9070
204 PNP 0.9070
205 PD2 0.9069
206 4NM 0.9068
207 DJN 0.9067
208 C53 0.9066
209 2KA 0.9065
210 NDG 0.9065
211 X48 0.9064
212 IOP 0.9062
213 BZ3 0.9062
214 BP7 0.9062
215 X0V 0.9057
216 H2B 0.9055
217 BPN 0.9054
218 1VK 0.9054
219 8WO 0.9053
220 MS0 0.9053
221 9NB 0.9052
222 GVY 0.9050
223 259 0.9047
224 795 0.9045
225 PLP 0.9043
226 2FX 0.9043
227 H5B 0.9042
228 I3E 0.9042
229 AOT 0.9042
230 9BF 0.9039
231 SN4 0.9038
232 KYN 0.9037
233 8NB 0.9037
234 CXH 0.9035
235 86L 0.9034
236 8NX 0.9031
237 WV7 0.9030
238 MD6 0.9028
239 QMR 0.9026
240 92G 0.9025
241 DVQ 0.9025
242 PXP 0.9024
243 IQ5 0.9022
244 LEL 0.9022
245 FDR 0.9021
246 KTJ 0.9021
247 HC4 0.9020
248 AMS 0.9019
249 5OB 0.9017
250 SAN 0.9015
251 4SX 0.9015
252 PH2 0.9014
253 ZZA 0.9013
254 YIE 0.9012
255 TYR 0.9012
256 8W9 0.9011
257 4WL 0.9009
258 K3D 0.9007
259 7AP 0.9007
260 AJ1 0.9007
261 5VL 0.9007
262 SWX 0.9003
263 QIV 0.9002
264 K7H 0.9002
265 6QF 0.9000
266 RA7 0.8999
267 2LY 0.8994
268 61M 0.8994
269 U7E 0.8994
270 TSU 0.8993
271 3QV 0.8991
272 549 0.8991
273 ANC 0.8990
274 2UZ 0.8987
275 1FE 0.8987
276 PRL 0.8986
277 EKZ 0.8985
278 N0Z 0.8984
279 FCD 0.8983
280 F9Y 0.8983
281 B56 0.8983
282 HIS 0.8982
283 HHR 0.8982
284 JA5 0.8982
285 M4E 0.8982
286 TCA 0.8980
287 15E 0.8978
288 2GQ 0.8978
289 9UL 0.8978
290 F02 0.8977
291 SSC 0.8976
292 CFA 0.8976
293 ODK 0.8976
294 PH3 0.8976
295 LL1 0.8975
296 EWG 0.8975
297 AMR 0.8975
298 BIK 0.8973
299 NPX 0.8973
300 HX4 0.8969
301 OA1 0.8969
302 YI6 0.8969
303 GNM 0.8967
304 HBO 0.8967
305 5GV 0.8962
306 FCW 0.8961
307 FCR 0.8960
308 LGT 0.8959
309 UFV 0.8958
310 K82 0.8958
311 RES 0.8957
312 BIO 0.8956
313 GWM 0.8956
314 HDH 0.8956
315 MR1 0.8956
316 PDC 0.8955
317 PIM 0.8954
318 RSV 0.8954
319 2P3 0.8954
320 N8Y 0.8953
321 IL5 0.8952
322 VFG 0.8950
323 4P5 0.8950
324 TCR 0.8949
325 5O6 0.8948
326 JAH 0.8947
327 5NS 0.8947
328 DNA 0.8946
329 M2K 0.8945
330 A5Q 0.8943
331 2BG 0.8943
332 5SP 0.8941
333 ODO 0.8941
334 DER 0.8940
335 2JX 0.8939
336 344 0.8939
337 E7S 0.8938
338 K80 0.8938
339 DEZ 0.8937
340 ZZZ 0.8935
341 R9Y 0.8934
342 4JQ 0.8933
343 4HB 0.8933
344 B1J 0.8931
345 JF2 0.8931
346 0TU 0.8930
347 SYE 0.8930
348 8G0 0.8930
349 6VD 0.8929
350 RKV 0.8928
351 80G 0.8928
352 FTV 0.8927
353 1A7 0.8927
354 NGA 0.8924
355 VD9 0.8922
356 4ZA 0.8922
357 3VW 0.8921
358 TGX 0.8921
359 ITE 0.8919
360 P81 0.8919
361 BNL 0.8919
362 XDK 0.8916
363 NPS 0.8914
364 TRP 0.8914
365 VM1 0.8913
366 LLH 0.8912
367 FBS 0.8912
368 MS9 0.8911
369 JP2 0.8911
370 I2E 0.8911
371 MQN 0.8910
372 DNF 0.8910
373 8U3 0.8909
374 A5H 0.8909
375 HSX 0.8908
376 S0D 0.8908
377 HHI 0.8907
378 0NX 0.8907
379 FZ0 0.8907
380 54E 0.8906
381 HNL 0.8905
382 HNK 0.8905
383 R52 0.8904
384 LZ5 0.8904
385 R5P 0.8904
386 52C 0.8903
387 PRO GLY 0.8901
388 IWT 0.8900
389 JBZ 0.8900
390 A5P 0.8898
391 PFF 0.8898
392 ENO 0.8897
393 1Z6 0.8897
394 3J8 0.8896
395 DTY 0.8896
396 BVA 0.8896
397 5H6 0.8895
398 5DL 0.8894
399 ZHA 0.8893
400 NFM 0.8892
401 PQK 0.8892
402 J9N 0.8892
403 TT4 0.8891
404 BZQ 0.8891
405 FQX 0.8891
406 NDD 0.8890
407 TZM 0.8889
408 HJ7 0.8889
409 CS2 0.8889
410 9FH 0.8889
411 DHY 0.8888
412 M6Z 0.8886
413 LR8 0.8883
414 5OO 0.8882
415 FF2 0.8882
416 YZ9 0.8882
417 HRM 0.8882
418 DHC 0.8880
419 OVM 0.8880
420 0BP 0.8879
421 NLA 0.8879
422 BVS 0.8878
423 4YO 0.8878
424 1A5 0.8877
425 5F5 0.8877
426 T1N 0.8876
427 4KL 0.8874
428 49P 0.8873
429 4J8 0.8872
430 JLZ 0.8871
431 6TZ 0.8870
432 J38 0.8867
433 CK2 0.8867
434 BL0 0.8866
435 5LD 0.8865
436 1PS 0.8864
437 GO8 0.8864
438 CKA 0.8864
439 AAS 0.8864
440 PUE 0.8864
441 4BF 0.8864
442 ET2 0.8863
443 6FG 0.8863
444 SRO 0.8863
445 QME 0.8863
446 QQQ 0.8862
447 0F9 0.8861
448 ZSP 0.8861
449 E0O 0.8861
450 2BX 0.8859
451 NK5 0.8858
452 BBK 0.8857
453 2FY 0.8857
454 DAH 0.8857
455 AHN 0.8857
456 EZL 0.8856
457 4XF 0.8856
458 DHB 0.8856
459 1M2 0.8855
460 0UL 0.8855
461 5VM 0.8854
462 0J4 0.8853
463 XI7 0.8852
464 JG8 0.8851
465 VGD 0.8851
466 BGU 0.8850
467 4CF 0.8850
468 A2G 0.8850
469 ICO 0.8850
470 ABF 0.8849
471 JF1 0.8849
472 LNR 0.8849
473 ES2 0.8848
474 1X4 0.8848
475 FZM 0.8848
476 L03 0.8846
477 3XR 0.8846
478 LO1 0.8844
479 W81 0.8844
480 M3H 0.8844
481 KJU 0.8843
482 INO 0.8843
483 492 0.8842
484 LZ2 0.8842
485 4LV 0.8841
486 ALE 0.8841
487 D3G 0.8840
488 5RN 0.8839
489 EE8 0.8838
490 CLW 0.8838
491 S60 0.8838
492 GZ2 0.8836
493 0FR 0.8835
494 TXW 0.8835
495 PIY 0.8835
496 2F6 0.8833
497 5XB 0.8833
498 5E5 0.8831
499 XAZ 0.8831
500 F31 0.8830
501 152 0.8830
502 8D6 0.8830
503 DA4 0.8830
504 5RP 0.8829
505 NPA 0.8829
506 KP2 0.8827
507 BPY 0.8827
508 R20 0.8826
509 L99 0.8825
510 6DH 0.8824
511 IFP 0.8823
512 36R 0.8823
513 RVE 0.8822
514 BHS 0.8821
515 R1P 0.8820
516 K97 0.8820
517 78Y 0.8819
518 GF4 0.8819
519 KDG 0.8818
520 2PV 0.8817
521 PO6 0.8817
522 9H2 0.8815
523 FUD 0.8815
524 6HO 0.8813
525 A98 0.8811
526 8MO 0.8809
527 ONR 0.8809
528 ROI 0.8808
529 2PK 0.8807
530 5RO 0.8806
531 OTR 0.8804
532 FHB 0.8802
533 BA5 0.8799
534 0OL 0.8798
535 54X 0.8797
536 86J 0.8794
537 5TZ 0.8792
538 Q02 0.8792
539 TSS 0.8791
540 7VP 0.8791
541 XIY 0.8789
542 D2G 0.8788
543 6DP 0.8788
544 2D2 0.8787
545 CHB 0.8787
546 PRF 0.8786
547 DZA 0.8785
548 E1K 0.8785
549 27K 0.8784
550 AKG 0.8784
551 OVP 0.8782
552 P9P 0.8782
553 NNO 0.8781
554 H4E 0.8780
555 ARP 0.8780
556 XIZ 0.8779
557 7MX 0.8778
558 LDC 0.8777
559 APS 0.8776
560 PFL 0.8776
561 PPT 0.8774
562 M45 0.8772
563 B62 0.8772
564 L22 0.8771
565 YE6 0.8770
566 MST 0.8770
567 1P8 0.8770
568 CC5 0.8769
569 4TP 0.8769
570 PQ0 0.8769
571 4AU 0.8768
572 Y4L 0.8766
573 9AP 0.8764
574 1BN 0.8763
575 OTW 0.8763
576 URC 0.8762
577 DQU 0.8762
578 IHB 0.8761
579 93K 0.8761
580 1QV 0.8761
581 THU 0.8761
582 5GU 0.8761
583 5SJ 0.8761
584 56D 0.8760
585 HQJ 0.8758
586 SEP 0.8758
587 4A3 0.8756
588 S62 0.8756
589 L1T 0.8755
590 LDR 0.8755
591 CTE 0.8754
592 HG3 0.8754
593 P7Y 0.8754
594 4NC 0.8753
595 TU0 0.8753
596 W23 0.8752
597 THM 0.8751
598 4V2 0.8750
599 AJG 0.8749
600 LVD 0.8749
601 833 0.8749
602 EA1 0.8748
603 OW4 0.8748
604 DCZ 0.8747
605 G6P 0.8747
606 BPU 0.8746
607 4VY 0.8746
608 A29 0.8744
609 6MW 0.8744
610 JCZ 0.8743
611 HNH 0.8743
612 EQW 0.8742
613 44V 0.8740
614 HPP 0.8739
615 9KZ 0.8737
616 B55 0.8737
617 PIQ 0.8737
618 L15 0.8736
619 N2Y 0.8735
620 HHH 0.8735
621 H42 0.8734
622 0W1 0.8734
623 PZM 0.8732
624 SOR 0.8731
625 D9Z 0.8730
626 6RQ 0.8729
627 ZYQ 0.8727
628 6ME 0.8725
629 0LO 0.8724
630 I4D 0.8723
631 INE 0.8722
632 RP3 0.8721
633 P80 0.8720
634 QSB 0.8720
635 BEA 0.8719
636 NID 0.8718
637 I3A 0.8717
638 8V8 0.8717
639 N9J 0.8716
640 BHA 0.8716
641 VNL 0.8715
642 5QY 0.8715
643 Z5P 0.8713
644 2JK 0.8713
645 TWO 0.8712
646 MYJ 0.8712
647 5JQ 0.8711
648 MXD 0.8711
649 L5V 0.8711
650 S2G 0.8710
651 LZB 0.8710
652 S8A 0.8710
653 DUR 0.8710
654 R2P 0.8709
655 QBK 0.8708
656 0FN 0.8708
657 GLO 0.8707
658 DPT 0.8707
659 OGA 0.8705
660 Y0V 0.8705
661 3HM 0.8704
662 5TT 0.8704
663 4AA 0.8703
664 IV2 0.8701
665 XHP 0.8700
666 8TX 0.8700
667 VUP 0.8700
668 AAN 0.8700
669 E7Z 0.8699
670 KLE 0.8698
671 DXP 0.8697
672 2HO 0.8696
673 4FE 0.8694
674 JRB 0.8693
675 44W 0.8693
676 DHI 0.8693
677 5NE 0.8693
678 4FF 0.8692
679 DOB 0.8691
680 MPV 0.8690
681 YRL 0.8690
682 2HQ 0.8690
683 II4 0.8690
684 5F8 0.8690
685 JTH 0.8689
686 A6W 0.8689
687 HFA 0.8687
688 MVN 0.8687
689 JMG 0.8686
690 LDP 0.8686
691 MMS 0.8684
692 46P 0.8684
693 5JL 0.8684
694 HWD 0.8683
695 D1G 0.8683
696 FMQ 0.8682
697 PAB 0.8682
698 TTY 0.8680
699 X04 0.8680
700 PHB 0.8679
701 IPD 0.8679
702 5B2 0.8678
703 JND 0.8678
704 3PF 0.8677
705 0FO 0.8677
706 5FL 0.8676
707 GB4 0.8675
708 S0W 0.8675
709 5WN 0.8675
710 K48 0.8674
711 9TW 0.8674
712 AHU 0.8674
713 6P3 0.8673
714 YE7 0.8673
715 2FQ 0.8672
716 DED 0.8671
717 GVG 0.8670
718 VXX 0.8670
719 L1O 0.8670
720 7W1 0.8670
721 8CC 0.8669
722 DK1 0.8669
723 6SD 0.8669
724 AEF 0.8669
725 A7Q 0.8668
726 X6P 0.8668
727 7R7 0.8666
728 NVU 0.8666
729 SKA 0.8665
730 6ZW 0.8664
731 STT 0.8663
732 PQS 0.8663
733 HCI 0.8662
734 KLS 0.8662
735 ID2 0.8662
736 03V 0.8661
737 NPO 0.8661
738 MNP 0.8661
739 AJY 0.8660
740 AU8 0.8659
741 RYY 0.8656
742 JB5 0.8656
743 YPN 0.8656
744 Z21 0.8655
745 DHR 0.8655
746 505 0.8653
747 NCT 0.8652
748 GDE 0.8651
749 2HG 0.8649
750 0DF 0.8648
751 50C 0.8647
752 SYV 0.8647
753 PHE 0.8647
754 4XS 0.8646
755 091 0.8644
756 TTL 0.8642
757 4M0 0.8642
758 ERZ 0.8642
759 PBA 0.8641
760 4Z4 0.8640
761 CLZ 0.8640
762 DNC 0.8639
763 4FS 0.8638
764 D48 0.8638
765 SJK 0.8638
766 MCY 0.8636
767 HQT 0.8635
768 3PG 0.8635
769 OCH 0.8634
770 22L 0.8634
771 ES5 0.8630
772 PQM 0.8630
773 J1K 0.8628
774 4XV 0.8628
775 75K 0.8627
776 S0G 0.8626
777 TJM 0.8626
778 FA0 0.8625
779 5CU 0.8625
780 COU 0.8625
781 MUR 0.8625
782 7QV 0.8625
783 MNS 0.8624
784 DPN 0.8624
785 92K 0.8624
786 K25 0.8622
787 IS2 0.8620
788 LFQ 0.8620
789 12Q 0.8619
790 SKM 0.8619
791 0OK 0.8618
792 MPK 0.8617
793 HBD 0.8617
794 3DM 0.8615
795 ET0 0.8614
796 JTA 0.8613
797 1EB 0.8612
798 PBZ 0.8612
799 2AQ 0.8611
800 E79 0.8611
801 28N 0.8603
802 5BT 0.8603
803 J5I 0.8601
804 3D1 0.8601
805 173 0.8599
806 67X 0.8597
807 5V7 0.8596
808 LIP 0.8596
809 0DN 0.8595
810 K68 0.8594
811 EZ1 0.8593
812 GNV 0.8593
813 AWE 0.8591
814 B86 0.8591
815 CTL 0.8590
816 CX6 0.8590
817 8WT 0.8590
818 5QX 0.8589
819 AY4 0.8588
820 IPB 0.8588
821 JA8 0.8588
822 2LW 0.8586
823 G3E 0.8583
824 Z82 0.8583
825 BDP 0.8580
826 4MA 0.8580
827 DHK 0.8578
828 1Y6 0.8576
829 PRZ 0.8575
830 WSD 0.8573
831 LP8 0.8570
832 CIT 0.8570
833 2WU 0.8569
834 2AK 0.8569
835 GLU 0.8568
836 P72 0.8568
837 4CN 0.8567
838 39O 0.8566
839 7EH 0.8564
840 ZME 0.8564
841 1DR 0.8562
842 5AD 0.8562
843 FWD 0.8557
844 KLV 0.8555
845 1SA 0.8554
846 FYR 0.8549
847 MAH 0.8544
848 QSH 0.8543
849 FBW 0.8541
850 717 0.8541
851 VFM 0.8540
852 HQD 0.8538
853 QX4 0.8537
854 UFO 0.8535
855 TIA 0.8535
856 MTL 0.8531
857 GOJ 0.8530
858 HLD 0.8526
859 BWD 0.8522
860 174 0.8521
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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