Receptor
PDB id Resolution Class Description Source Keywords
5AIC 1.89 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
PEG A:1549;
Invalid;
none;
submit data
106.12 C4 H10 O3 C(COC...
TGX A:1550;
Valid;
none;
ic50 = 49.6 uM
179.239 C9 H9 N O S Cc1cc...
SO4 A:1548;
A:1551;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
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: TGX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TGX 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: TGX; Similar ligands found: 1078
No: Ligand Similarity coefficient
1 4JQ 0.9905
2 MQN 0.9760
3 4YO 0.9760
4 0TU 0.9750
5 QX4 0.9671
6 9R5 0.9659
7 DQU 0.9651
8 4JT 0.9635
9 6ME 0.9579
10 TYL 0.9574
11 FBB 0.9567
12 K2T 0.9559
13 44V 0.9550
14 B62 0.9535
15 44W 0.9534
16 OTW 0.9520
17 COU 0.9512
18 OCH 0.9503
19 MVN 0.9496
20 86J 0.9490
21 XHP 0.9490
22 94W 0.9489
23 0FO 0.9481
24 03V 0.9468
25 ANN 0.9468
26 2HQ 0.9463
27 PH2 0.9461
28 ES5 0.9460
29 H42 0.9460
30 JB5 0.9458
31 4FS 0.9450
32 2AQ 0.9449
33 3PF 0.9449
34 8ZE 0.9437
35 PNZ 0.9436
36 J6W 0.9434
37 2BG 0.9432
38 ES2 0.9427
39 5QY 0.9426
40 FDR 0.9422
41 HHR 0.9421
42 FA0 0.9413
43 N2I 0.9405
44 NDH 0.9404
45 3QV 0.9402
46 BCU 0.9400
47 15E 0.9399
48 8WO 0.9398
49 ESP 0.9392
50 CLZ 0.9391
51 0P6 0.9389
52 XIY 0.9387
53 CLW 0.9380
54 CWJ 0.9373
55 J9T 0.9370
56 0HO 0.9368
57 TH7 0.9363
58 EN1 0.9359
59 9FL 0.9359
60 I3E 0.9356
61 PRF 0.9355
62 KTJ 0.9355
63 2FY 0.9353
64 ET2 0.9350
65 J9W 0.9347
66 DOB 0.9344
67 KUF 0.9341
68 VGD 0.9340
69 36R 0.9340
70 5VM 0.9340
71 8CM 0.9337
72 4HC 0.9336
73 1M2 0.9335
74 SN4 0.9334
75 MS9 0.9333
76 2FQ 0.9330
77 KJU 0.9330
78 ESX 0.9327
79 HMH 0.9327
80 5XC 0.9326
81 PHB 0.9325
82 CFI 0.9325
83 URC 0.9325
84 6NI 0.9324
85 OTR 0.9324
86 4M0 0.9323
87 AJV 0.9320
88 QBK 0.9316
89 E5X 0.9313
90 4P5 0.9313
91 FHC 0.9312
92 SKA 0.9311
93 1P8 0.9307
94 NPO 0.9306
95 PAB 0.9304
96 CTL 0.9302
97 TTL 0.9302
98 3NY 0.9301
99 MSR 0.9301
100 KDV 0.9300
101 HBD 0.9300
102 ABV 0.9298
103 J5I 0.9297
104 TT4 0.9297
105 ODO 0.9296
106 1F1 0.9293
107 SE2 0.9292
108 D48 0.9292
109 CWS 0.9290
110 A29 0.9289
111 BZ3 0.9289
112 0HN 0.9288
113 1Z6 0.9287
114 BHA 0.9286
115 4RU 0.9284
116 TZF 0.9283
117 ZZZ 0.9282
118 G3E 0.9282
119 5LA 0.9280
120 9CA 0.9278
121 BZ2 0.9278
122 1IT 0.9277
123 5WV 0.9275
124 AJ2 0.9275
125 4BY 0.9275
126 3Z8 0.9274
127 JLZ 0.9274
128 PHU 0.9273
129 4WL 0.9273
130 069 0.9272
131 NSP 0.9271
132 6NT 0.9270
133 2ZM 0.9270
134 XAZ 0.9270
135 INO 0.9269
136 4AA 0.9268
137 CPZ 0.9264
138 5NI 0.9262
139 15N 0.9262
140 8H8 0.9260
141 DHB 0.9259
142 ISZ 0.9259
143 4MA 0.9257
144 5CU 0.9256
145 HDH 0.9255
146 1Y6 0.9255
147 2AK 0.9254
148 4TU 0.9254
149 4ZA 0.9252
150 PAC 0.9249
151 20J 0.9249
152 ES7 0.9248
153 UNJ 0.9247
154 12Q 0.9246
155 N8Y 0.9242
156 46P 0.9241
157 DIN 0.9240
158 4Z4 0.9239
159 0JD 0.9239
160 ISN 0.9238
161 97T 0.9237
162 6RQ 0.9234
163 JAW 0.9233
164 8TX 0.9233
165 BEA 0.9230
166 Z82 0.9230
167 HIS 0.9230
168 MUA 0.9229
169 2HO 0.9228
170 MR1 0.9225
171 2A9 0.9224
172 IWT 0.9224
173 KJH 0.9223
174 E7Z 0.9223
175 I3A 0.9221
176 3ZB 0.9221
177 KKN 0.9220
178 7W1 0.9220
179 SW7 0.9220
180 5QX 0.9220
181 BHO 0.9219
182 SYV 0.9218
183 Q24 0.9217
184 M1Q 0.9216
185 6KT 0.9215
186 36Y 0.9214
187 JAE 0.9211
188 BTY 0.9211
189 LT2 0.9211
190 173 0.9209
191 3A9 0.9208
192 1A7 0.9206
193 5GU 0.9204
194 ICB 0.9204
195 PBZ 0.9204
196 GJP 0.9202
197 NIZ 0.9202
198 X0U 0.9202
199 PXL 0.9202
200 AX7 0.9200
201 HX4 0.9199
202 XQ0 0.9198
203 BPN 0.9197
204 FBM 0.9194
205 FYU 0.9194
206 4NC 0.9194
207 7MU 0.9193
208 7W4 0.9192
209 AC6 0.9192
210 2K8 0.9192
211 4FA 0.9191
212 5OB 0.9187
213 9ZE 0.9187
214 0BP 0.9186
215 2HU 0.9183
216 PE0 0.9183
217 1HN 0.9183
218 GXY 0.9183
219 MRW 0.9180
220 AQO 0.9180
221 HQT 0.9179
222 NCT 0.9178
223 SNU 0.9178
224 ABI 0.9178
225 GVG 0.9178
226 NFM 0.9177
227 RJY 0.9175
228 LNR 0.9174
229 4NM 0.9173
230 BZX 0.9173
231 PJW 0.9171
232 C1M 0.9168
233 AMH 0.9167
234 A5E 0.9167
235 PIM 0.9167
236 HQD 0.9167
237 BGC 0.9167
238 E7S 0.9166
239 Q71 0.9165
240 F9Y 0.9164
241 SHA 0.9163
242 CH9 0.9162
243 HQJ 0.9162
244 DRL 0.9161
245 4BZ 0.9161
246 GWM 0.9160
247 INE 0.9160
248 A7W 0.9158
249 3HM 0.9152
250 2CK 0.9151
251 4NB 0.9148
252 F60 0.9148
253 5NU 0.9147
254 XX2 0.9146
255 JDN 0.9146
256 428 0.9146
257 JG8 0.9145
258 ZYR 0.9143
259 93K 0.9143
260 J9Q 0.9143
261 PHE 0.9143
262 5RO 0.9143
263 E1T 0.9142
264 6FZ 0.9141
265 M5K 0.9140
266 B5D 0.9140
267 PQ0 0.9140
268 AZ8 0.9139
269 MYJ 0.9139
270 4A3 0.9138
271 FHB 0.9138
272 PKU 0.9138
273 52C 0.9137
274 HBO 0.9135
275 6VD 0.9133
276 LQ2 0.9133
277 5H1 0.9130
278 5MI 0.9130
279 NAG 0.9129
280 R9Y 0.9129
281 GZL 0.9129
282 M45 0.9127
283 F9P 0.9127
284 P9P 0.9126
285 NNO 0.9125
286 OQC 0.9124
287 826 0.9123
288 92K 0.9123
289 HHS 0.9122
290 68A 0.9122
291 J9N 0.9122
292 14O 0.9121
293 3DM 0.9121
294 8OZ 0.9121
295 L14 0.9120
296 MEW 0.9120
297 IV2 0.9119
298 12T 0.9119
299 ESI 0.9119
300 X0V 0.9119
301 2MI 0.9115
302 AN3 0.9115
303 0N7 0.9115
304 174 0.9114
305 27B 0.9113
306 BNL 0.9112
307 3DO 0.9112
308 M4T 0.9112
309 YRL 0.9111
310 M6N 0.9110
311 4BL 0.9110
312 XM0 0.9110
313 6AI 0.9108
314 2K4 0.9106
315 7HQ 0.9106
316 RNO 0.9106
317 8XL 0.9105
318 2BX 0.9104
319 5JQ 0.9104
320 8W9 0.9103
321 P72 0.9103
322 FP1 0.9101
323 FUD 0.9101
324 5MB 0.9100
325 I1E 0.9100
326 75K 0.9100
327 IHB 0.9100
328 RM1 0.9099
329 PRZ 0.9099
330 PH3 0.9098
331 HNL 0.9097
332 F4E 0.9094
333 0FN 0.9094
334 OVM 0.9093
335 CHB 0.9093
336 JB8 0.9092
337 4SX 0.9090
338 SNO 0.9090
339 8WT 0.9088
340 4V2 0.9087
341 TPA 0.9087
342 DBH 0.9086
343 DMD 0.9085
344 K34 0.9085
345 4JC 0.9081
346 270 0.9080
347 PIY 0.9080
348 EA1 0.9080
349 11S 0.9080
350 PBA 0.9080
351 3MB 0.9078
352 1P7 0.9078
353 ICO 0.9076
354 3ID 0.9075
355 AZ9 0.9074
356 L22 0.9072
357 0FK 0.9071
358 TSU 0.9071
359 ROI 0.9070
360 ES9 0.9070
361 QUS 0.9069
362 MO8 0.9069
363 8NX 0.9067
364 DE5 0.9067
365 GLC 0.9067
366 VK3 0.9065
367 5RN 0.9065
368 2KA 0.9062
369 3M0 0.9062
370 YPN 0.9060
371 2D0 0.9060
372 B55 0.9060
373 7VP 0.9059
374 GAL 0.9059
375 92P 0.9058
376 HHH 0.9056
377 QSB 0.9055
378 KT7 0.9054
379 OW4 0.9054
380 1KP 0.9052
381 M4S 0.9051
382 CN0 0.9051
383 5TY 0.9051
384 FK1 0.9050
385 IPB 0.9050
386 3HA 0.9050
387 5JL 0.9049
388 344 0.9047
389 259 0.9046
390 Q77 0.9045
391 AEG 0.9043
392 4I8 0.9042
393 5B1 0.9040
394 G3F 0.9039
395 2EC 0.9037
396 4J8 0.9036
397 SLS 0.9034
398 FCR 0.9034
399 NPY 0.9033
400 H4N 0.9030
401 M3H 0.9027
402 HA5 0.9027
403 JA8 0.9026
404 8S0 0.9025
405 SAN 0.9024
406 7VS 0.9024
407 A7H 0.9023
408 RB5 0.9022
409 DX3 0.9022
410 CXH 0.9021
411 OGA 0.9021
412 SRT 0.9020
413 FDB 0.9020
414 FBS 0.9019
415 AJY 0.9019
416 9TW 0.9019
417 5WZ 0.9018
418 UA5 0.9017
419 IFP 0.9017
420 NOY 0.9016
421 GCS 0.9016
422 NID 0.9015
423 ASC 0.9015
424 7ME 0.9012
425 B57 0.9012
426 QUZ 0.9010
427 HMU 0.9008
428 RMN 0.9008
429 8HC 0.9007
430 UFO 0.9006
431 HHA 0.9005
432 0W8 0.9003
433 L5V 0.9002
434 6TZ 0.9000
435 F4K 0.8999
436 6FB 0.8999
437 HBA 0.8998
438 CWM 0.8997
439 ASO 0.8996
440 PQK 0.8996
441 M2K 0.8995
442 OAA 0.8995
443 PEY 0.8994
444 L99 0.8993
445 TWO 0.8993
446 TSS 0.8993
447 7N0 0.8991
448 8NB 0.8991
449 67N 0.8990
450 3QM 0.8990
451 KMY 0.8989
452 IFL 0.8988
453 BDP 0.8988
454 GLO 0.8987
455 AMS 0.8987
456 RXA 0.8986
457 HNT 0.8985
458 RAT 0.8984
459 GDE 0.8984
460 PZI 0.8984
461 DHK 0.8983
462 FE DB1 0.8982
463 4MU 0.8980
464 NQ 0.8980
465 4LW 0.8979
466 ES0 0.8978
467 2LY 0.8978
468 M0W 0.8978
469 24W 0.8977
470 86L 0.8976
471 MPV 0.8976
472 3R4 0.8976
473 MWP 0.8975
474 0F9 0.8975
475 C2Y 0.8974
476 APZ 0.8973
477 KJY 0.8972
478 2QC 0.8972
479 MAJ 0.8972
480 2F6 0.8972
481 OK7 0.8972
482 XAN 0.8972
483 BPY 0.8971
484 88L 0.8971
485 3HB 0.8971
486 ALL 0.8970
487 8IG 0.8970
488 KTW 0.8970
489 GAB 0.8970
490 M0Q 0.8968
491 SKM 0.8967
492 KOJ 0.8967
493 1LQ 0.8967
494 BBK 0.8964
495 OVV 0.8963
496 7B4 0.8962
497 8NY 0.8960
498 3F0 0.8960
499 1SQ 0.8960
500 MAQ 0.8959
501 36E 0.8959
502 6M9 0.8957
503 SOE 0.8957
504 0NX 0.8956
505 R20 0.8956
506 HC4 0.8956
507 NOJ 0.8955
508 GO2 0.8955
509 92G 0.8954
510 EKZ 0.8953
511 NGA 0.8953
512 717 0.8953
513 3IT 0.8953
514 M1A 0.8952
515 PPY 0.8952
516 CFA 0.8950
517 VOH 0.8950
518 F05 0.8950
519 24B 0.8949
520 JBK 0.8949
521 A7N 0.8948
522 ADZ 0.8948
523 N2Z 0.8948
524 HX3 0.8948
525 F2W 0.8947
526 B60 0.8947
527 DBJ 0.8947
528 M4E 0.8946
529 DS0 0.8946
530 5SG 0.8945
531 R8V 0.8945
532 SAL 0.8945
533 GDL 0.8944
534 5IQ 0.8944
535 GTQ 0.8944
536 P92 0.8942
537 5Q0 0.8942
538 BPU 0.8941
539 HSO 0.8941
540 JBZ 0.8940
541 JND 0.8940
542 CK2 0.8939
543 TTY 0.8939
544 795 0.8939
545 Q88 0.8939
546 AKG 0.8939
547 F31 0.8939
548 4YS 0.8937
549 9DG 0.8937
550 LDP 0.8935
551 QMP 0.8934
552 39O 0.8934
553 APG 0.8934
554 PXM 0.8932
555 PDC 0.8931
556 DRG 0.8930
557 OW7 0.8927
558 TYR 0.8925
559 ZZT 0.8924
560 VXX 0.8924
561 Z5P 0.8923
562 PYQ 0.8921
563 DDU 0.8921
564 THA 0.8921
565 S0E 0.8921
566 X0W 0.8920
567 JKE 0.8920
568 EVF 0.8919
569 BE2 0.8919
570 HA7 0.8918
571 PO6 0.8918
572 DHQ 0.8918
573 6M4 0.8917
574 4ME 0.8917
575 MLT 0.8916
576 D3G 0.8915
577 WOO 0.8914
578 AAS 0.8914
579 9FE 0.8912
580 ANF 0.8911
581 1NP 0.8910
582 ES1 0.8909
583 RD4 0.8909
584 4CS 0.8907
585 S2P 0.8906
586 1L5 0.8906
587 1WC 0.8906
588 32X 0.8902
589 IAC 0.8902
590 0XT 0.8902
591 45L 0.8901
592 PZM 0.8901
593 G2F 0.8900
594 GNM 0.8900
595 AA 0.8900
596 H5B 0.8900
597 XDK 0.8899
598 HQY 0.8898
599 F1A 0.8897
600 G12 0.8896
601 4VP 0.8894
602 4FH 0.8894
603 61M 0.8892
604 AZA 0.8891
605 VNL 0.8891
606 GUN 0.8890
607 SOR 0.8889
608 PD2 0.8889
609 6QF 0.8886
610 2AL 0.8885
611 2GS 0.8884
612 5NE 0.8884
613 9MG 0.8884
614 JPZ 0.8883
615 HLZ 0.8883
616 B53 0.8883
617 4XH 0.8881
618 N0Z 0.8881
619 FAN 0.8881
620 2HC 0.8880
621 RA7 0.8879
622 TOF 0.8878
623 SVN 0.8877
624 FQI 0.8876
625 A2G 0.8874
626 LGC 0.8874
627 5RG 0.8874
628 82I 0.8872
629 4HM 0.8872
630 268 0.8871
631 YH7 0.8870
632 KBZ 0.8870
633 GF4 0.8869
634 CTS 0.8868
635 3NT 0.8868
636 54G 0.8868
637 GGB 0.8867
638 EVA 0.8866
639 N5J 0.8865
640 URO 0.8865
641 K5W 0.8865
642 ENO 0.8865
643 3U4 0.8863
644 QWN 0.8863
645 42A 0.8863
646 Q02 0.8862
647 GVY 0.8862
648 KYA 0.8861
649 ONR 0.8859
650 AOT 0.8856
651 4VY 0.8855
652 3FH 0.8855
653 W81 0.8855
654 ALE 0.8851
655 XDE 0.8851
656 1DW 0.8850
657 RUY 0.8850
658 M1H 0.8850
659 7WV 0.8849
660 BNF 0.8849
661 SWA 0.8848
662 4XR 0.8848
663 4SV 0.8847
664 54Z 0.8846
665 OVP 0.8845
666 HH5 0.8845
667 GOJ 0.8844
668 AL0 0.8844
669 JYB 0.8843
670 5NS 0.8843
671 5M0 0.8843
672 ZEC 0.8841
673 MPK 0.8841
674 9UL 0.8841
675 DHR 0.8840
676 HH8 0.8838
677 1PT 0.8838
678 BEZ 0.8836
679 3WA 0.8836
680 5VL 0.8836
681 HPS 0.8834
682 H8N 0.8834
683 FBF 0.8833
684 DX4 0.8833
685 8MO 0.8833
686 3BZ 0.8833
687 3AB 0.8832
688 HHT 0.8832
689 BEN 0.8832
690 AEF 0.8831
691 N3W 0.8830
692 SRO 0.8830
693 7B3 0.8829
694 6GU 0.8828
695 QIV 0.8828
696 OA3 0.8827
697 ES6 0.8826
698 LZM 0.8825
699 TIY 0.8824
700 X05 0.8824
701 6AP 0.8823
702 SMN 0.8823
703 JXN 0.8823
704 DBX 0.8823
705 E35 0.8822
706 DVQ 0.8822
707 3SK 0.8821
708 WCE 0.8820
709 6PC 0.8820
710 O72 0.8819
711 3VX 0.8819
712 NIO 0.8819
713 XRG 0.8819
714 4LV 0.8818
715 AHR 0.8815
716 9TZ 0.8814
717 OKG 0.8814
718 53C 0.8813
719 AP4 0.8812
720 R2P 0.8811
721 QXW 0.8810
722 Q6T 0.8810
723 ANC 0.8809
724 7ZE 0.8808
725 N4E 0.8807
726 K82 0.8807
727 DGJ 0.8807
728 NDG 0.8806
729 S2G 0.8806
730 8U3 0.8805
731 EUE 0.8805
732 XBT 0.8803
733 363 0.8802
734 TAG 0.8802
735 30G 0.8802
736 M1E 0.8802
737 BZJ 0.8802
738 GUA 0.8801
739 5HN 0.8800
740 LKA 0.8800
741 PBC 0.8799
742 1XM 0.8798
743 BAM 0.8798
744 NCA 0.8797
745 V1T 0.8795
746 DHY 0.8795
747 2FT 0.8794
748 JU2 0.8794
749 9KT 0.8793
750 BGU 0.8792
751 XXG 0.8791
752 HKD 0.8791
753 Q7A 0.8791
754 NTN 0.8791
755 8GC 0.8790
756 QBS 0.8790
757 IGA 0.8790
758 PEA 0.8788
759 JF6 0.8787
760 B85 0.8786
761 X09 0.8785
762 3W8 0.8785
763 UFV 0.8784
764 0RW 0.8782
765 APS 0.8782
766 GCU 0.8781
767 OMD 0.8780
768 H4E 0.8780
769 141 0.8780
770 329 0.8780
771 DHC 0.8780
772 GZ2 0.8779
773 S7J 0.8778
774 ZBT 0.8778
775 7MX 0.8777
776 NF3 0.8777
777 GJZ 0.8776
778 4XV 0.8775
779 AES 0.8775
780 9RW 0.8774
781 DEE 0.8774
782 QSH 0.8774
783 EXD 0.8773
784 SKF 0.8773
785 JBH 0.8773
786 VGL 0.8773
787 UNU 0.8772
788 V55 0.8771
789 23J 0.8769
790 S7S 0.8768
791 258 0.8768
792 ARP 0.8768
793 0W1 0.8768
794 56D 0.8767
795 K4V 0.8766
796 GJS 0.8766
797 2LP 0.8763
798 SME 0.8762
799 209 0.8760
800 AZG 0.8760
801 CFP 0.8760
802 A2F 0.8760
803 SXS 0.8760
804 1LM 0.8759
805 IF7 0.8759
806 5XB 0.8758
807 E3X 0.8757
808 XCZ 0.8755
809 UAN 0.8755
810 1WG 0.8754
811 X48 0.8754
812 14J 0.8753
813 YZM 0.8752
814 4P0 0.8752
815 1SA 0.8752
816 BP7 0.8751
817 3R6 0.8750
818 549 0.8750
819 HNH 0.8750
820 XCG 0.8750
821 GYE 0.8749
822 JAH 0.8749
823 JF2 0.8748
824 LMR 0.8746
825 GCB 0.8746
826 8K2 0.8746
827 3C4 0.8745
828 LI6 0.8745
829 XYP 0.8745
830 N91 0.8744
831 NMJ 0.8744
832 TCA 0.8744
833 2ZQ 0.8742
834 AM4 0.8742
835 FA1 0.8741
836 UEG 0.8741
837 RHU 0.8741
838 42C 0.8740
839 2HG 0.8740
840 BCP 0.8740
841 3VS 0.8740
842 R9S 0.8740
843 SHG 0.8739
844 42J 0.8736
845 S60 0.8735
846 HLR 0.8735
847 H62 0.8733
848 KIB 0.8733
849 5WY 0.8733
850 9EW 0.8732
851 B56 0.8732
852 CFF 0.8730
853 4KL 0.8729
854 6CS 0.8729
855 JF1 0.8728
856 TIU 0.8727
857 49O 0.8726
858 C2B 0.8726
859 HHI 0.8725
860 NBZ 0.8725
861 3OC 0.8724
862 FBW 0.8724
863 2FG 0.8724
864 152 0.8723
865 PFB 0.8721
866 4M4 0.8720
867 0CU 0.8720
868 BRT 0.8720
869 BOA 0.8720
870 HF2 0.8718
871 261 0.8716
872 SS1 0.8716
873 Y3L 0.8716
874 51R 0.8715
875 P9E 0.8714
876 DNA 0.8713
877 5GV 0.8712
878 A65 0.8712
879 3AE 0.8711
880 4XS 0.8711
881 LR5 0.8711
882 37T 0.8710
883 DYA 0.8710
884 ADA 0.8710
885 B1J 0.8710
886 YCP 0.8710
887 2CQ 0.8707
888 36M 0.8705
889 7MK 0.8704
890 Z13 0.8704
891 K7M 0.8702
892 OHP 0.8701
893 JRB 0.8701
894 T9G 0.8700
895 AC0 0.8700
896 JZ3 0.8700
897 N1E 0.8700
898 OXC 0.8700
899 FB1 0.8698
900 PZA 0.8698
901 BZE 0.8698
902 7NI 0.8697
903 O2A 0.8696
904 GTR 0.8695
905 ST3 0.8695
906 FGZ 0.8694
907 PFL 0.8694
908 H33 0.8692
909 DPZ 0.8692
910 FBV 0.8691
911 JXZ 0.8691
912 AKH 0.8691
913 GCO 0.8690
914 2O6 0.8690
915 290 0.8690
916 TC7 0.8689
917 QY9 0.8689
918 NDM 0.8689
919 F0J 0.8688
920 680 0.8688
921 M5H 0.8685
922 WSD 0.8685
923 DNF 0.8684
924 2H5 0.8683
925 TH0 0.8681
926 6M1 0.8681
927 6F0 0.8680
928 LZ2 0.8679
929 GRE 0.8679
930 HCI 0.8678
931 3J8 0.8677
932 6E8 0.8677
933 CIT 0.8676
934 CXF 0.8675
935 HRM 0.8675
936 150 0.8674
937 GLN 0.8674
938 TEP 0.8674
939 LDR 0.8673
940 XIZ 0.8673
941 149 0.8671
942 5MK 0.8671
943 B40 0.8670
944 G6D 0.8669
945 D07 0.8668
946 293 0.8667
947 4CM 0.8667
948 MNM 0.8666
949 091 0.8666
950 7O4 0.8666
951 MP5 0.8666
952 ORO 0.8665
953 TMG 0.8662
954 DGN 0.8661
955 BHQ 0.8660
956 45C 0.8660
957 EUG 0.8658
958 GM7 0.8658
959 XRX 0.8658
960 9NB 0.8657
961 4JL 0.8656
962 4NZ 0.8656
963 UNC 0.8654
964 QSC 0.8654
965 FOT 0.8653
966 4NS 0.8651
967 PX7 0.8651
968 PYD 0.8650
969 4JM 0.8650
970 M1Z 0.8650
971 IDM 0.8646
972 P81 0.8643
973 NVU 0.8642
974 FB2 0.8641
975 535 0.8640
976 XQG 0.8638
977 QAT 0.8635
978 GLA 0.8635
979 7WG 0.8634
980 X11 0.8632
981 5WX 0.8632
982 EGR 0.8631
983 GZ8 0.8630
984 3XX 0.8629
985 7MW 0.8628
986 KGK 0.8628
987 449 0.8626
988 HJP 0.8625
989 PRA 0.8623
990 LSA 0.8623
991 KBB 0.8623
992 K32 0.8622
993 IOS 0.8621
994 0R0 0.8621
995 KJ5 0.8621
996 9AP 0.8620
997 DPT 0.8620
998 F4Z 0.8620
999 43M 0.8617
1000 4NP 0.8617
1001 KW8 0.8616
1002 AX3 0.8615
1003 4MB 0.8615
1004 7VJ 0.8614
1005 DHS 0.8613
1006 G14 0.8613
1007 5MH 0.8612
1008 TLD 0.8612
1009 K22 0.8611
1010 JTH 0.8611
1011 GXL 0.8610
1012 MAN 0.8610
1013 GAF 0.8610
1014 PHH 0.8608
1015 EYK 0.8608
1016 MD6 0.8607
1017 0FR 0.8607
1018 3SL 0.8606
1019 GLU 0.8604
1020 MT0 0.8603
1021 DHI 0.8603
1022 A09 0.8602
1023 JP2 0.8602
1024 DEN 0.8601
1025 QPR 0.8600
1026 I6G 0.8599
1027 GHM 0.8596
1028 FQX 0.8594
1029 M78 0.8592
1030 4HP 0.8591
1031 FBA 0.8590
1032 XYD 0.8590
1033 2ZV 0.8590
1034 4HB 0.8588
1035 GGL 0.8587
1036 X6X 0.8587
1037 AY4 0.8586
1038 5GT 0.8585
1039 PMB 0.8584
1040 1DV 0.8582
1041 H7Y 0.8581
1042 ZVO 0.8581
1043 L7T 0.8581
1044 IND 0.8580
1045 QIC 0.8580
1046 EQT 0.8579
1047 4JO 0.8579
1048 4VS 0.8578
1049 AZM 0.8572
1050 1MC 0.8570
1051 E1K 0.8568
1052 JXW 0.8567
1053 PMP 0.8565
1054 BNT 0.8560
1055 QAS 0.8560
1056 2MP 0.8560
1057 FBT 0.8560
1058 WS7 0.8559
1059 PGH 0.8555
1060 YIO 0.8555
1061 XBZ 0.8554
1062 28N 0.8553
1063 IUR 0.8550
1064 34A 0.8549
1065 495 0.8547
1066 IJZ 0.8547
1067 23A 0.8540
1068 BZI 0.8540
1069 JZ9 0.8540
1070 XXP 0.8539
1071 9PY 0.8536
1072 MCT 0.8535
1073 AAN 0.8534
1074 F69 0.8533
1075 IDH 0.8528
1076 LZ1 0.8525
1077 M6Z 0.8517
1078 ODK 0.8507
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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