Receptor
PDB id Resolution Class Description Source Keywords
5ai6 2.3 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
DMS A:1548;
A:1549;
 Invalid;
Invalid;
 none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
4XH A:1551;
 Valid;
 none;
 ic50 = 40.19 uM
208.055 C9 H6 Br N c1cc2...
SO4 A:1547;
 Invalid;
 none;
 submit data
96.063 O4 S [O-]S...
GOL A:1550;
 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: 4XH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4XH 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4XH; Similar ligands found: 1097
No: Ligand Similarity coefficient
1 HH8 1.0000
2 HQY 0.9954
3 5IQ 0.9952
4 ES1 0.9952
5 5Q0 0.9952
6 1LQ 0.9950
7 5SG 0.9950
8 1SQ 0.9948
9 1NP 0.9936
10 N5J 0.9913
11 JPZ 0.9910
12 4YS 0.9907
13 24W 0.9890
14 JBH 0.9830
15 6MP 0.9807
16 BTE 0.9785
17 BP1 0.9775
18 SVN 0.9775
19 ES4 0.9774
20 PM6 0.9765
21 HPA 0.9761
22 ADE 0.9758
23 M1H 0.9757
24 HQT 0.9735
25 10L 0.9733
26 HLZ 0.9732
27 9DA 0.9730
28 12Q 0.9726
29 KKN 0.9725
30 EQT 0.9722
31 6M9 0.9718
32 HZQ 0.9712
33 7WA 0.9711
34 7B4 0.9709
35 M0Q 0.9709
36 2D0 0.9708
37 495 0.9706
38 Q88 0.9702
39 ISN 0.9701
40 1XN 0.9692
41 MT0 0.9691
42 7HP 0.9689
43 5WX 0.9687
44 I3A 0.9685
45 GLC 0.9681
46 ES0 0.9678
47 9HX 0.9675
48 3WA 0.9675
49 QUZ 0.9674
50 0RW 0.9673
51 F05 0.9671
52 SKA 0.9670
53 9EW 0.9668
54 0P6 0.9666
55 NPY 0.9666
56 JBQ 0.9665
57 7HQ 0.9664
58 ES7 0.9661
59 DHQ 0.9661
60 M0W 0.9660
61 CFP 0.9659
62 32X 0.9658
63 5QX 0.9656
64 7VS 0.9652
65 BGC 0.9652
66 DBJ 0.9650
67 DX4 0.9649
68 6GU 0.9648
69 CWM 0.9648
70 6M4 0.9647
71 M1A 0.9646
72 KJH 0.9645
73 7W4 0.9643
74 AJ2 0.9641
75 AZ8 0.9636
76 290 0.9634
77 AZA 0.9634
78 G6D 0.9634
79 7W1 0.9632
80 A7W 0.9629
81 8CM 0.9628
82 JBE 0.9625
83 SAL 0.9617
84 XYP 0.9617
85 PE0 0.9613
86 9DG 0.9613
87 HH5 0.9612
88 67N 0.9611
89 5WV 0.9610
90 A2F 0.9608
91 CWS 0.9608
92 25W 0.9607
93 ADZ 0.9606
94 M5K 0.9602
95 GUN 0.9602
96 M1E 0.9601
97 IGA 0.9597
98 BCP 0.9593
99 TTL 0.9589
100 M1Q 0.9588
101 KUF 0.9579
102 XAN 0.9567
103 LXC 0.9567
104 7WV 0.9565
105 Q24 0.9564
106 6AP 0.9564
107 PXL 0.9564
108 4HC 0.9560
109 0W8 0.9560
110 G3F 0.9557
111 2CK 0.9556
112 MRW 0.9556
113 UNC 0.9554
114 4CS 0.9554
115 NMJ 0.9549
116 5RG 0.9546
117 DIN 0.9544
118 1PT 0.9537
119 YSO 0.9535
120 KT7 0.9534
121 XXR 0.9534
122 3HA 0.9528
123 1WD 0.9526
124 J9W 0.9525
125 23A 0.9524
126 3M0 0.9524
127 141 0.9523
128 AZG 0.9520
129 MEW 0.9520
130 42A 0.9518
131 SWA 0.9518
132 BE2 0.9515
133 HJP 0.9515
134 3U4 0.9507
135 9MG 0.9506
136 DEN 0.9504
137 AQO 0.9501
138 AHR 0.9501
139 LZM 0.9500
140 4SV 0.9495
141 GIO 0.9495
142 URC 0.9494
143 8GC 0.9494
144 FOT 0.9493
145 ES6 0.9493
146 JKE 0.9490
147 5M0 0.9485
148 ADK 0.9483
149 JBK 0.9480
150 0CU 0.9476
151 BZI 0.9472
152 GTQ 0.9470
153 1XM 0.9468
154 39A 0.9462
155 IJZ 0.9456
156 3F0 0.9455
157 IND 0.9455
158 YH7 0.9451
159 BZX 0.9450
160 3Z8 0.9448
161 BZF 0.9448
162 BOA 0.9447
163 1P7 0.9447
164 GAB 0.9442
165 XQ0 0.9441
166 XQG 0.9437
167 3NT 0.9437
168 AZ9 0.9436
169 HLR 0.9435
170 VNL 0.9435
171 6CS 0.9434
172 3HB 0.9433
173 1LM 0.9428
174 8S0 0.9427
175 14O 0.9425
176 C2U 0.9424
177 GRE 0.9424
178 DBH 0.9422
179 IDM 0.9420
180 3ID 0.9420
181 COU 0.9418
182 JUG 0.9416
183 6M1 0.9415
184 0CT 0.9414
185 LZ1 0.9413
186 BEN 0.9411
187 2AQ 0.9410
188 MPI 0.9407
189 XYS 0.9404
190 GCS 0.9403
191 BDP 0.9400
192 O72 0.9397
193 6AI 0.9396
194 86J 0.9395
195 0R1 0.9393
196 2CQ 0.9393
197 54G 0.9392
198 ISE 0.9392
199 AX7 0.9391
200 LSA 0.9390
201 BEZ 0.9389
202 03V 0.9387
203 G1O 0.9386
204 JB5 0.9385
205 DMD 0.9384
206 5MK 0.9382
207 AJV 0.9379
208 FE DB1 0.9379
209 WCE 0.9379
210 GVH 0.9377
211 4JP 0.9377
212 B60 0.9376
213 B55 0.9375
214 5H1 0.9374
215 FDB 0.9373
216 P9P 0.9370
217 5WY 0.9367
218 BAM 0.9366
219 3AB 0.9365
220 IV2 0.9365
221 53C 0.9365
222 EA1 0.9364
223 8TX 0.9364
224 BTY 0.9363
225 2K4 0.9363
226 4NC 0.9362
227 ABV 0.9361
228 75K 0.9360
229 OXC 0.9359
230 XAZ 0.9359
231 5NU 0.9359
232 H42 0.9358
233 RSF 0.9358
234 2AK 0.9357
235 OCH 0.9357
236 DIU 0.9357
237 HQD 0.9356
238 270 0.9356
239 3IT 0.9356
240 ORO 0.9355
241 BHO 0.9354
242 F60 0.9352
243 5HN 0.9351
244 G5V 0.9350
245 VK3 0.9349
246 6F0 0.9349
247 7NI 0.9349
248 APZ 0.9346
249 NBZ 0.9346
250 BRT 0.9345
251 F0J 0.9342
252 SWD 0.9341
253 6PC 0.9341
254 MO8 0.9340
255 2ZQ 0.9338
256 5MB 0.9337
257 MUA 0.9337
258 RXA 0.9336
259 YCP 0.9336
260 5MI 0.9333
261 SX1 0.9332
262 0N7 0.9331
263 3MA 0.9330
264 5B1 0.9329
265 9TZ 0.9328
266 MAQ 0.9324
267 4FS 0.9324
268 B53 0.9324
269 AW5 0.9323
270 DIE 0.9321
271 B62 0.9321
272 2ZV 0.9320
273 ES5 0.9320
274 1WG 0.9320
275 RAM 0.9320
276 5QY 0.9319
277 GAL 0.9319
278 NK 0.9318
279 SYV 0.9316
280 FA0 0.9314
281 NQ 0.9314
282 4MU 0.9314
283 NCA 0.9314
284 0FO 0.9311
285 3BZ 0.9310
286 Q6T 0.9309
287 D07 0.9309
288 OVV 0.9308
289 DHB 0.9308
290 LT2 0.9308
291 12B 0.9305
292 7CZ 0.9305
293 QSB 0.9303
294 GBD 0.9302
295 ARB 0.9302
296 XHP 0.9301
297 2MI 0.9301
298 150 0.9301
299 OTW 0.9298
300 JZ9 0.9298
301 5CU 0.9298
302 KIB 0.9298
303 3PF 0.9298
304 KJY 0.9297
305 3MB 0.9296
306 4JT 0.9295
307 LGC 0.9293
308 DRL 0.9292
309 8IG 0.9292
310 OXQ 0.9291
311 QWN 0.9291
312 4M4 0.9291
313 BEA 0.9290
314 G3E 0.9290
315 DOB 0.9288
316 5RN 0.9288
317 GYE 0.9287
318 SOE 0.9286
319 34D 0.9284
320 1DW 0.9283
321 MWM 0.9282
322 NIO 0.9281
323 HHA 0.9280
324 V55 0.9280
325 MYJ 0.9279
326 0TR 0.9278
327 BHA 0.9277
328 4ZE 0.9277
329 PYQ 0.9276
330 2HQ 0.9275
331 2YU 0.9273
332 TM7 0.9272
333 HT4 0.9271
334 XX2 0.9270
335 QX2 0.9270
336 44W 0.9269
337 5JQ 0.9268
338 7VJ 0.9268
339 QWW 0.9266
340 URF 0.9266
341 QX4 0.9266
342 PZA 0.9264
343 AKH 0.9263
344 4M0 0.9263
345 OVM 0.9262
346 UNU 0.9262
347 CTL 0.9261
348 173 0.9261
349 11S 0.9260
350 4AA 0.9260
351 MBD 0.9259
352 5OB 0.9259
353 NOJ 0.9258
354 0MK 0.9258
355 F5B 0.9257
356 ES9 0.9256
357 3Z7 0.9255
358 E7Z 0.9253
359 CHB 0.9253
360 GDE 0.9253
361 ASO 0.9253
362 NTZ 0.9251
363 GAG 0.9249
364 MCT 0.9247
365 7MH 0.9246
366 R8V 0.9246
367 45C 0.9244
368 MVN 0.9243
369 JIF 0.9243
370 92K 0.9242
371 7ZE 0.9242
372 9TW 0.9240
373 DQU 0.9240
374 TH7 0.9240
375 WBU 0.9238
376 H4N 0.9238
377 HMH 0.9238
378 XM0 0.9237
379 EXO 0.9237
380 XBZ 0.9235
381 NDM 0.9232
382 VGL 0.9231
383 B57 0.9230
384 RM1 0.9230
385 UEG 0.9230
386 JAE 0.9228
387 FYU 0.9225
388 DOR 0.9225
389 NNO 0.9224
390 UAN 0.9224
391 4A3 0.9221
392 4XR 0.9220
393 TDR 0.9219
394 D1X 0.9218
395 HY3 0.9217
396 JLZ 0.9215
397 TEP 0.9214
398 1MC 0.9214
399 93K 0.9213
400 2HO 0.9213
401 2MP 0.9213
402 42C 0.9213
403 37T 0.9213
404 QSH 0.9213
405 SE2 0.9211
406 43M 0.9208
407 D48 0.9207
408 NPO 0.9207
409 12M 0.9207
410 680 0.9206
411 5JL 0.9206
412 60P 0.9205
413 FUL 0.9205
414 FHB 0.9204
415 IHB 0.9204
416 A1U 0.9204
417 0JD 0.9202
418 DHK 0.9201
419 PBC 0.9200
420 J5I 0.9199
421 34A 0.9198
422 TOF 0.9198
423 KYD 0.9197
424 INO 0.9197
425 1P3 0.9197
426 CTS 0.9191
427 2AC 0.9190
428 3CE 0.9188
429 INS 0.9187
430 3HM 0.9186
431 CFF 0.9185
432 NDH 0.9184
433 9KT 0.9184
434 3MG 0.9184
435 ICP 0.9183
436 PYD 0.9183
437 P92 0.9183
438 JZ3 0.9183
439 2EC 0.9182
440 4Z4 0.9180
441 82I 0.9180
442 FK1 0.9180
443 44V 0.9177
444 15L 0.9176
445 QXW 0.9176
446 VNJ 0.9174
447 BE7 0.9172
448 ZVO 0.9172
449 PHT 0.9171
450 3RK 0.9170
451 HFB 0.9169
452 NTM 0.9167
453 DUB 0.9166
454 XYD 0.9165
455 4HO 0.9165
456 64K 0.9164
457 4ZC 0.9158
458 SRO 0.9157
459 6ME 0.9157
460 5JC 0.9156
461 SKM 0.9156
462 NTN 0.9154
463 S76 0.9154
464 TC7 0.9151
465 3FA 0.9151
466 MZG 0.9148
467 8NY 0.9146
468 5UC 0.9146
469 GTR 0.9145
470 GMN 0.9143
471 PXM 0.9143
472 BZ3 0.9143
473 8WT 0.9142
474 TH0 0.9142
475 F4Z 0.9141
476 ICO 0.9141
477 NID 0.9140
478 FLM 0.9140
479 KLW 0.9139
480 PYG 0.9139
481 HIS 0.9139
482 PHB 0.9137
483 3DO 0.9135
484 3SK 0.9133
485 VGD 0.9131
486 YIO 0.9131
487 PZI 0.9130
488 7B3 0.9129
489 2CM 0.9129
490 T6C 0.9128
491 PFB 0.9128
492 2A7 0.9127
493 AC0 0.9127
494 G2F 0.9127
495 8H8 0.9126
496 QPR 0.9122
497 4JJ 0.9120
498 M2K 0.9120
499 JXW 0.9120
500 FBT 0.9116
501 FGZ 0.9116
502 MWP 0.9115
503 TLD 0.9109
504 X09 0.9108
505 RMN 0.9107
506 HMU 0.9105
507 5MH 0.9104
508 ALL 0.9104
509 GCU 0.9104
510 KBG 0.9102
511 QSC 0.9101
512 FCA 0.9100
513 4JO 0.9100
514 RIP 0.9098
515 1P8 0.9097
516 24B 0.9097
517 J1Z 0.9094
518 3MC 0.9094
519 EYK 0.9094
520 6MH 0.9093
521 SXS 0.9093
522 23J 0.9093
523 4CL 0.9092
524 Y8I 0.9091
525 DQN 0.9090
526 ET2 0.9090
527 2H5 0.9090
528 BK9 0.9086
529 2C9 0.9085
530 5CL 0.9085
531 KJU 0.9084
532 M6N 0.9083
533 GJS 0.9083
534 2MY 0.9082
535 JZ2 0.9081
536 PAB 0.9078
537 CLZ 0.9076
538 3DM 0.9075
539 J9T 0.9071
540 DFB 0.9071
541 WOO 0.9069
542 SHG 0.9069
543 JFD 0.9067
544 FUC 0.9067
545 A13 0.9066
546 MWJ 0.9065
547 N8Y 0.9064
548 IT2 0.9063
549 DPZ 0.9062
550 SS1 0.9062
551 149 0.9061
552 ES2 0.9060
553 3ZQ 0.9060
554 EUG 0.9058
555 CLW 0.9056
556 FBB 0.9055
557 EKZ 0.9053
558 IFM 0.9052
559 ZZT 0.9052
560 36R 0.9049
561 BCF 0.9049
562 NOY 0.9049
563 2AL 0.9049
564 Z82 0.9049
565 329 0.9048
566 51R 0.9048
567 MFB 0.9048
568 BR9 0.9047
569 PRF 0.9046
570 INE 0.9045
571 IFL 0.9045
572 GLA 0.9045
573 FCB 0.9044
574 3OC 0.9042
575 NIZ 0.9042
576 TBP 0.9040
577 6VD 0.9040
578 HX3 0.9040
579 94N 0.9040
580 7WR 0.9038
581 2FG 0.9038
582 RM4 0.9038
583 4HM 0.9037
584 FBV 0.9036
585 BMA 0.9036
586 AIN 0.9036
587 PCI 0.9035
588 1Y6 0.9034
589 27Y 0.9033
590 AJY 0.9032
591 L3Q 0.9032
592 39O 0.9030
593 286 0.9030
594 PQ0 0.9030
595 LKA 0.9030
596 M58 0.9028
597 NSP 0.9028
598 4ME 0.9028
599 F3B 0.9027
600 FFP 0.9027
601 ARA 0.9026
602 KOJ 0.9024
603 OAA 0.9023
604 Q7A 0.9023
605 R8A 0.9022
606 FAN 0.9021
607 X05 0.9020
608 K2T 0.9019
609 EVA 0.9019
610 F31 0.9017
611 GXY 0.9016
612 PHH 0.9016
613 4JQ 0.9016
614 ASC 0.9016
615 TM4 0.9014
616 K5W 0.9013
617 GOG 0.9011
618 MQN 0.9010
619 MAN 0.9010
620 4YO 0.9006
621 YTB 0.9006
622 SOR 0.9006
623 5NE 0.9004
624 R8S 0.9002
625 5VM 0.9001
626 OW4 0.8999
627 I6G 0.8999
628 BBF 0.8998
629 JXN 0.8998
630 CFI 0.8995
631 8XQ 0.8994
632 1KP 0.8991
633 ISZ 0.8991
634 0FN 0.8991
635 MVL 0.8991
636 GM7 0.8990
637 275 0.8989
638 5RO 0.8988
639 0R0 0.8986
640 RNS 0.8986
641 IFP 0.8985
642 LI6 0.8984
643 3FH 0.8983
644 GCB 0.8979
645 3XX 0.8977
646 SHA 0.8976
647 5GU 0.8976
648 FB1 0.8975
649 AZF 0.8973
650 I1N 0.8973
651 OXE 0.8972
652 R9Y 0.8972
653 IUR 0.8971
654 8OZ 0.8971
655 RHU 0.8968
656 GOX 0.8968
657 2MN 0.8967
658 HBD 0.8966
659 2FQ 0.8965
660 QAT 0.8963
661 DFU 0.8963
662 PDC 0.8963
663 PBZ 0.8960
664 0TU 0.8959
665 826 0.8956
666 FBW 0.8954
667 IBF 0.8950
668 K17 0.8950
669 97T 0.8950
670 XCZ 0.8949
671 8WO 0.8947
672 UFV 0.8947
673 LDP 0.8947
674 P72 0.8946
675 BSP 0.8945
676 2PC 0.8945
677 GOO 0.8944
678 GZ8 0.8943
679 IPB 0.8942
680 JA8 0.8941
681 SJ5 0.8941
682 4MA 0.8941
683 4P5 0.8941
684 DBX 0.8940
685 FPY 0.8940
686 CAQ 0.8940
687 F12 0.8939
688 G4D 0.8938
689 GTZ 0.8938
690 TTY 0.8937
691 PA1 0.8937
692 3R6 0.8933
693 6RQ 0.8932
694 X6X 0.8931
695 PYC 0.8930
696 HNQ 0.8929
697 AFR 0.8929
698 NVU 0.8929
699 J9Q 0.8929
700 TSS 0.8928
701 GIV 0.8926
702 2DR 0.8926
703 2FY 0.8925
704 GVG 0.8925
705 MS9 0.8923
706 BEW 0.8923
707 HBA 0.8922
708 40O 0.8922
709 HXX 0.8921
710 BR8 0.8921
711 FLV 0.8921
712 PRZ 0.8920
713 1GN 0.8919
714 7MU 0.8918
715 KFH 0.8916
716 QAS 0.8916
717 MR1 0.8916
718 IPZ 0.8916
719 1M2 0.8915
720 X0V 0.8915
721 9FL 0.8913
722 209 0.8912
723 8ZE 0.8909
724 LCN 0.8907
725 AX2 0.8906
726 F81 0.8904
727 2LY 0.8904
728 174 0.8904
729 226 0.8904
730 TBS 0.8903
731 OVP 0.8903
732 ODO 0.8903
733 4XV 0.8902
734 717 0.8902
735 5XC 0.8901
736 SW7 0.8900
737 YQA 0.8899
738 GAF 0.8897
739 0LH 0.8896
740 SYN 0.8895
741 PRO 0.8894
742 KIA 0.8892
743 C2Y 0.8892
744 C21 0.8892
745 ZZ3 0.8891
746 SRT 0.8889
747 6UA 0.8887
748 KBB 0.8884
749 RPQ 0.8884
750 PBA 0.8884
751 4TU 0.8883
752 2CH 0.8883
753 13X 0.8883
754 JFJ 0.8883
755 TGX 0.8881
756 FOA 0.8880
757 KIV 0.8880
758 JU2 0.8878
759 L89 0.8876
760 Z5P 0.8875
761 5ZE 0.8875
762 TWO 0.8875
763 GT0 0.8875
764 15E 0.8872
765 GIM 0.8870
766 FBG 0.8870
767 MHK 0.8870
768 FBU 0.8869
769 FBM 0.8868
770 2AF 0.8868
771 UFO 0.8868
772 AEZ 0.8868
773 MFU 0.8868
774 8W9 0.8867
775 MBG 0.8867
776 FUF 0.8866
777 RIB 0.8866
778 4FH 0.8866
779 ADA 0.8864
780 2ZX 0.8863
781 JBN 0.8863
782 ASP 0.8863
783 284 0.8863
784 H33 0.8862
785 OA3 0.8862
786 ERH 0.8861
787 FPK 0.8861
788 Q71 0.8861
789 1U6 0.8860
790 DGJ 0.8859
791 DNF 0.8857
792 TFU 0.8855
793 282 0.8854
794 K6X 0.8852
795 GXL 0.8852
796 5AN 0.8851
797 IDH 0.8851
798 3MH 0.8850
799 M5N 0.8850
800 MLT 0.8850
801 CN0 0.8846
802 MSN 0.8846
803 FRU 0.8846
804 MNM 0.8845
805 2BG 0.8845
806 HQJ 0.8844
807 92P 0.8843
808 X8D 0.8843
809 HTS 0.8843
810 EJZ 0.8840
811 FP1 0.8840
812 265 0.8838
813 XIY 0.8837
814 MZB 0.8837
815 GLF 0.8836
816 TIU 0.8835
817 ZWZ 0.8834
818 HBX 0.8834
819 FB2 0.8834
820 2A9 0.8833
821 261 0.8832
822 92Z 0.8832
823 GZL 0.8832
824 OMD 0.8831
825 3C2 0.8830
826 OXZ 0.8830
827 3C1 0.8830
828 JZ5 0.8830
829 VOH 0.8829
830 N2I 0.8829
831 FP2 0.8828
832 B5D 0.8828
833 K34 0.8827
834 3AY 0.8827
835 WDL 0.8827
836 47J 0.8825
837 TZC 0.8825
838 RSO 0.8825
839 938 0.8823
840 JAB 0.8823
841 LMR 0.8823
842 8LG 0.8822
843 0F9 0.8822
844 NEQ 0.8821
845 WOT 0.8820
846 ABE 0.8820
847 XYL 0.8820
848 PHU 0.8819
849 RCO 0.8819
850 1AN 0.8818
851 2MH 0.8817
852 93Q 0.8816
853 YAN 0.8813
854 AC6 0.8812
855 LYL 0.8812
856 45L 0.8812
857 FPI 0.8812
858 ESI 0.8811
859 ABN 0.8810
860 4XS 0.8808
861 PY7 0.8807
862 PX7 0.8805
863 PAF 0.8805
864 4PW 0.8805
865 L99 0.8805
866 XBT 0.8805
867 6X8 0.8804
868 JZ1 0.8803
869 35C 0.8803
870 52C 0.8799
871 HIO 0.8798
872 LG3 0.8797
873 76X 0.8796
874 9CA 0.8796
875 PEY 0.8796
876 TLA 0.8795
877 TP5 0.8795
878 069 0.8795
879 GLY PRO 0.8795
880 8GK 0.8794
881 CRS 0.8793
882 K32 0.8792
883 SYA 0.8791
884 FCR 0.8791
885 VXX 0.8790
886 E3D 0.8790
887 091 0.8789
888 PLQ 0.8788
889 F9P 0.8788
890 QOS 0.8787
891 HHR 0.8785
892 PH2 0.8785
893 EV0 0.8785
894 SMV 0.8783
895 GV9 0.8783
896 PYF 0.8782
897 1X7 0.8781
898 URA 0.8780
899 C2A 0.8780
900 4SX 0.8780
901 HQE 0.8777
902 PMB 0.8776
903 DYA 0.8776
904 HKD 0.8776
905 MAK 0.8775
906 9RW 0.8774
907 PAC 0.8774
908 QIC 0.8774
909 NBE 0.8773
910 QBK 0.8770
911 TAR 0.8765
912 1IT 0.8763
913 K22 0.8761
914 06B 0.8760
915 3CH 0.8760
916 CYT 0.8759
917 F9Y 0.8758
918 DEE 0.8756
919 AMG 0.8756
920 ZBT 0.8755
921 DA1 0.8752
922 DMJ 0.8750
923 260 0.8750
924 IF7 0.8750
925 MT5 0.8750
926 APG 0.8750
927 BNT 0.8749
928 FDK 0.8749
929 0HO 0.8747
930 URQ 0.8746
931 GCV 0.8745
932 LG5 0.8744
933 ZB1 0.8743
934 5NS 0.8741
935 3NY 0.8741
936 RB5 0.8740
937 FPN 0.8739
938 6OT 0.8738
939 B3R 0.8738
940 N8P 0.8738
941 K8X 0.8736
942 18N 0.8735
943 26D 0.8735
944 25R 0.8734
945 6KX 0.8733
946 273 0.8732
947 948 0.8731
948 4VP 0.8731
949 PCR 0.8731
950 PXY 0.8731
951 JTH 0.8731
952 TSU 0.8731
953 ZZ8 0.8730
954 MJ2 0.8730
955 BVF 0.8729
956 23W 0.8728
957 LG4 0.8727
958 OK7 0.8725
959 G12 0.8722
960 CGB 0.8722
961 FH2 0.8719
962 M2H 0.8719
963 6LW 0.8718
964 67X 0.8715
965 SF9 0.8714
966 M3T 0.8713
967 8GF 0.8713
968 2PG 0.8713
969 2LP 0.8712
970 HGQ 0.8709
971 6HQ 0.8708
972 ENL 0.8708
973 TCZ 0.8708
974 14J 0.8708
975 HEW 0.8707
976 URP 0.8707
977 DNC 0.8705
978 LZ2 0.8704
979 1DU 0.8704
980 9R5 0.8704
981 HA7 0.8703
982 TMZ 0.8700
983 2ZM 0.8700
984 AAS 0.8699
985 APS 0.8699
986 SFU 0.8699
987 JKZ 0.8696
988 II6 0.8696
989 ONR 0.8695
990 6BL 0.8694
991 KPL 0.8693
992 GLT 0.8692
993 HHQ 0.8691
994 1MR 0.8690
995 XUL 0.8690
996 ZYR 0.8689
997 HTP 0.8689
998 MRZ 0.8688
999 FA3 0.8688
1000 95Z 0.8688
1001 9TY 0.8687
1002 AMC 0.8687
1003 BDF 0.8686
1004 BCU 0.8686
1005 6NT 0.8686
1006 BNS 0.8683
1007 FDR 0.8683
1008 JZ0 0.8682
1009 P3K 0.8682
1010 GCW 0.8681
1011 KDV 0.8679
1012 PBR 0.8678
1013 IP0 0.8678
1014 CWJ 0.8677
1015 JG8 0.8676
1016 1XX 0.8674
1017 HLD 0.8674
1018 CIG 0.8673
1019 4CH 0.8673
1020 FA1 0.8673
1021 L5V 0.8672
1022 0HN 0.8672
1023 PBE 0.8670
1024 NGO 0.8669
1025 H8N 0.8669
1026 O2A 0.8668
1027 AUD 0.8666
1028 4H2 0.8661
1029 BPU 0.8658
1030 JXZ 0.8658
1031 ROI 0.8657
1032 ARP 0.8657
1033 SMN 0.8656
1034 2HU 0.8656
1035 4XX 0.8656
1036 ZXD 0.8655
1037 PD2 0.8655
1038 PCA 0.8655
1039 FBA 0.8654
1040 NCT 0.8654
1041 SAN 0.8653
1042 MAE 0.8651
1043 9FE 0.8650
1044 MXN 0.8648
1045 DX3 0.8648
1046 5NI 0.8646
1047 1DQ 0.8645
1048 2KA 0.8644
1049 LDR 0.8641
1050 3SL 0.8640
1051 EOL 0.8640
1052 KGK 0.8639
1053 LNR 0.8638
1054 FQI 0.8636
1055 ZZZ 0.8636
1056 GIF 0.8630
1057 ECE 0.8630
1058 NLA 0.8627
1059 0GZ 0.8625
1060 ABI 0.8622
1061 7N0 0.8622
1062 Q77 0.8622
1063 BML 0.8622
1064 TT4 0.8620
1065 3A9 0.8619
1066 AGK 0.8617
1067 L7T 0.8617
1068 4JU 0.8617
1069 4WL 0.8614
1070 HDH 0.8612
1071 DHS 0.8608
1072 1F1 0.8608
1073 1DV 0.8608
1074 D3M 0.8603
1075 7ME 0.8603
1076 MMA 0.8600
1077 7D2 0.8597
1078 H76 0.8596
1079 94W 0.8591
1080 H3M 0.8589
1081 0W1 0.8587
1082 9AP 0.8580
1083 UQ 0.8573
1084 H7Y 0.8572
1085 X0W 0.8570
1086 LRH 0.8570
1087 TZE 0.8567
1088 6NI 0.8560
1089 4HS 0.8555
1090 KTW 0.8552
1091 0XT 0.8548
1092 4JM 0.8546
1093 ASN 0.8541
1094 SS2 0.8539
1095 9PY 0.8532
1096 8HC 0.8523
1097 R2B 0.8519
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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