Receptor
PDB id Resolution Class Description Source Keywords
5AI4 1.93 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;
A:1551;
A:1550;
A:1553;
A:1552;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
4VY A:1555;
A:1556;
 Valid;
Valid;
 none;
none;
 ic50 = 331.7 uM
231.09 C8 H11 Br N2 O CN(CC...
GOL A:1554;
 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: 4VY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 4VY 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 4VY; Similar ligands found: 972
No: Ligand Similarity coefficient
1 YPN 0.9689
2 HHH 0.9573
3 36M 0.9528
4 HDH 0.9494
5 HC4 0.9482
6 2FY 0.9469
7 OTR 0.9462
8 MXN 0.9449
9 8OZ 0.9441
10 MNN 0.9440
11 GRO 0.9428
12 1DJ 0.9412
13 TYE 0.9408
14 BPW 0.9405
15 4HP 0.9404
16 L99 0.9366
17 173 0.9363
18 PPT 0.9343
19 H4E 0.9339
20 SMN 0.9337
21 RMN 0.9332
22 TSU 0.9329
23 KJU 0.9327
24 CWJ 0.9321
25 QBS 0.9320
26 9RW 0.9320
27 SAN 0.9319
28 MS9 0.9315
29 ISZ 0.9314
30 PRA 0.9309
31 4J8 0.9307
32 BHO 0.9305
33 5WZ 0.9304
34 AEF 0.9301
35 QBM 0.9288
36 FEH 0.9283
37 GZQ 0.9270
38 CFA 0.9256
39 A09 0.9254
40 94W 0.9254
41 HL4 0.9248
42 B09 0.9247
43 TSS 0.9246
44 7ME 0.9245
45 5GU 0.9243
46 Z82 0.9241
47 ENO 0.9236
48 5OB 0.9236
49 NIZ 0.9236
50 FBM 0.9235
51 RJY 0.9233
52 BZ3 0.9230
53 CFI 0.9226
54 APG 0.9225
55 AHC 0.9225
56 XDE 0.9220
57 GWM 0.9218
58 ALE 0.9217
59 NPO 0.9217
60 TYR 0.9217
61 PKU 0.9209
62 I3A 0.9208
63 PHB 0.9206
64 N2I 0.9205
65 9R5 0.9203
66 HPP 0.9199
67 FBS 0.9199
68 DHY 0.9197
69 PH3 0.9196
70 EUG 0.9193
71 TT4 0.9193
72 RB5 0.9192
73 XYL 0.9192
74 AC6 0.9192
75 5XC 0.9189
76 KBZ 0.9184
77 PAB 0.9179
78 4MA 0.9172
79 PBZ 0.9171
80 92K 0.9169
81 4FA 0.9169
82 NDH 0.9168
83 15E 0.9167
84 F9P 0.9165
85 61M 0.9164
86 SRO 0.9163
87 4TU 0.9157
88 LNR 0.9154
89 23J 0.9153
90 ANN 0.9153
91 1SA 0.9151
92 92G 0.9151
93 IWT 0.9151
94 F90 0.9150
95 1Y6 0.9149
96 RM1 0.9147
97 BCU 0.9147
98 AMS 0.9147
99 ODO 0.9146
100 8ZE 0.9143
101 B3U 0.9142
102 264 0.9141
103 NYL 0.9140
104 0LH 0.9139
105 1KP 0.9136
106 DHR 0.9135
107 AAS 0.9134
108 I1E 0.9130
109 I3E 0.9130
110 TPA 0.9124
111 PHE 0.9124
112 DE5 0.9123
113 1P8 0.9121
114 RBJ 0.9120
115 YIE 0.9115
116 3BU 0.9115
117 PZI 0.9112
118 HCI 0.9112
119 FK8 0.9111
120 HNK 0.9111
121 HBD 0.9111
122 AEG 0.9109
123 EGR 0.9109
124 EV3 0.9104
125 PSJ 0.9097
126 SYV 0.9097
127 TYL 0.9097
128 OIA 0.9094
129 J9W 0.9093
130 LDP 0.9092
131 ES2 0.9091
132 J9N 0.9091
133 FHC 0.9091
134 NCT 0.9089
135 6M4 0.9089
136 4JC 0.9088
137 FCR 0.9086
138 SHA 0.9086
139 FUD 0.9086
140 YRL 0.9085
141 A29 0.9084
142 3YP 0.9082
143 1L5 0.9070
144 GLO 0.9066
145 HDL 0.9066
146 JA8 0.9066
147 CXP 0.9065
148 4MU 0.9064
149 268 0.9064
150 FA0 0.9064
151 4SX 0.9064
152 J6W 0.9063
153 DHC 0.9062
154 3Z8 0.9058
155 OMD 0.9055
156 SOR 0.9054
157 4AA 0.9053
158 BZJ 0.9051
159 PNZ 0.9051
160 4M0 0.9050
161 PBN 0.9048
162 MR1 0.9047
163 1F1 0.9047
164 2BG 0.9044
165 GJZ 0.9044
166 IPB 0.9042
167 URC 0.9042
168 3MF 0.9042
169 E5X 0.9038
170 J9T 0.9036
171 N4B 0.9035
172 8TX 0.9034
173 5NI 0.9033
174 9LI 0.9033
175 X0V 0.9032
176 M4S 0.9031
177 PO6 0.9028
178 OCH 0.9026
179 BNF 0.9026
180 6KT 0.9026
181 PAC 0.9026
182 HQJ 0.9025
183 FB2 0.9024
184 ES5 0.9022
185 HSO 0.9022
186 ET2 0.9021
187 ASC 0.9018
188 GZL 0.9018
189 6ZX 0.9018
190 CPZ 0.9018
191 DTY 0.9017
192 LT2 0.9017
193 QDK 0.9017
194 COU 0.9017
195 NFM 0.9017
196 XIY 0.9016
197 Q24 0.9015
198 OHJ 0.9015
199 AL0 0.9015
200 JB5 0.9014
201 AMH 0.9012
202 S24 0.9010
203 MQB 0.9010
204 LPK 0.9009
205 0W8 0.9008
206 RNT 0.9007
207 5VM 0.9007
208 03V 0.9006
209 4JT 0.9006
210 BIK 0.9005
211 271 0.9005
212 E0O 0.9004
213 DHK 0.9003
214 TZL 0.9002
215 FIX 0.9002
216 2AQ 0.9001
217 S8V 0.8998
218 0P6 0.8998
219 GVG 0.8997
220 MWP 0.8996
221 EN1 0.8996
222 463 0.8996
223 CLW 0.8995
224 ISA 0.8995
225 HBO 0.8993
226 NVU 0.8992
227 BHA 0.8991
228 4FH 0.8991
229 54D 0.8988
230 X0W 0.8987
231 717 0.8987
232 FTV 0.8985
233 HIS 0.8984
234 ICO 0.8984
235 0HO 0.8984
236 H42 0.8984
237 36R 0.8984
238 KDV 0.8983
239 N8Y 0.8983
240 1M2 0.8983
241 AOS 0.8982
242 QY9 0.8982
243 PEA 0.8982
244 HFA 0.8980
245 4V2 0.8978
246 4FS 0.8978
247 XM0 0.8978
248 RUY 0.8976
249 8WO 0.8976
250 RNS 0.8975
251 42A 0.8974
252 DEW 0.8973
253 BK9 0.8972
254 4XF 0.8970
255 VGD 0.8970
256 TSR 0.8970
257 ZBT 0.8969
258 5NU 0.8968
259 0A1 0.8967
260 7VS 0.8967
261 O45 0.8967
262 SOL 0.8967
263 F4E 0.8966
264 M74 0.8966
265 3QM 0.8966
266 5CU 0.8966
267 2ZM 0.8965
268 2C0 0.8964
269 RBL 0.8964
270 4HC 0.8964
271 HY1 0.8963
272 DOB 0.8962
273 PQ0 0.8961
274 XLS 0.8961
275 MSR 0.8960
276 IAC 0.8959
277 3HP 0.8959
278 6NT 0.8958
279 DHB 0.8957
280 2FT 0.8956
281 2UB 0.8955
282 6RQ 0.8955
283 GOJ 0.8954
284 YZM 0.8954
285 4HM 0.8954
286 0HN 0.8953
287 KTJ 0.8953
288 091 0.8952
289 HYA 0.8952
290 FBB 0.8951
291 K2T 0.8951
292 2ED 0.8951
293 ASO 0.8951
294 EKZ 0.8950
295 JAW 0.8950
296 FF3 0.8950
297 826 0.8950
298 3A9 0.8949
299 3NY 0.8949
300 CTL 0.8949
301 1LQ 0.8949
302 J0Z 0.8948
303 L5V 0.8948
304 259 0.8948
305 T9G 0.8947
306 PXL 0.8947
307 3C4 0.8947
308 791 0.8946
309 M0Q 0.8946
310 CTS 0.8944
311 EDR 0.8943
312 V55 0.8942
313 XQ0 0.8940
314 P9P 0.8940
315 CLT 0.8940
316 258 0.8939
317 G3E 0.8937
318 P72 0.8936
319 174 0.8935
320 3PF 0.8935
321 4NC 0.8935
322 AEH 0.8933
323 UA5 0.8932
324 7HQ 0.8927
325 N9J 0.8926
326 PPY 0.8926
327 SQ7 0.8924
328 9ZE 0.8922
329 PTU 0.8921
330 DOR 0.8921
331 0OC 0.8921
332 M0W 0.8920
333 D3G 0.8920
334 Q9Z 0.8919
335 3LR 0.8919
336 RHU 0.8919
337 SDD 0.8918
338 PEL 0.8918
339 EYV 0.8917
340 HNL 0.8917
341 KDG 0.8917
342 E1P 0.8915
343 XQI 0.8914
344 FAN 0.8914
345 2C2 0.8914
346 NCA 0.8914
347 4I8 0.8913
348 4P5 0.8912
349 JXZ 0.8912
350 MS0 0.8912
351 0JD 0.8911
352 4AV 0.8911
353 93K 0.8911
354 INO 0.8910
355 4PN 0.8909
356 3CR 0.8909
357 7MX 0.8908
358 YOF 0.8908
359 FA1 0.8907
360 BAM 0.8907
361 VNL 0.8907
362 SNU 0.8907
363 263 0.8907
364 4NM 0.8907
365 Q02 0.8907
366 6XI 0.8907
367 XUL 0.8907
368 IV2 0.8906
369 A3M 0.8904
370 9FL 0.8904
371 IFP 0.8903
372 36Y 0.8902
373 TZF 0.8902
374 7B3 0.8902
375 GT0 0.8901
376 ABI 0.8901
377 XBT 0.8901
378 F05 0.8901
379 DPN 0.8900
380 C2Y 0.8900
381 F9Y 0.8899
382 7VP 0.8899
383 SYM 0.8899
384 4JQ 0.8898
385 SBK 0.8898
386 2HQ 0.8897
387 REL 0.8896
388 069 0.8896
389 RPN 0.8894
390 27K 0.8894
391 1A7 0.8894
392 PBA 0.8893
393 2BX 0.8893
394 PE0 0.8892
395 EPR 0.8890
396 GLY PRO 0.8890
397 CCB 0.8889
398 JF6 0.8889
399 QH3 0.8887
400 9VQ 0.8886
401 MYJ 0.8885
402 BEN 0.8885
403 6VD 0.8885
404 J5I 0.8885
405 IQ5 0.8884
406 5QY 0.8883
407 3R4 0.8881
408 TXW 0.8881
409 ORO 0.8881
410 PBC 0.8881
411 DBX 0.8880
412 LZM 0.8880
413 C82 0.8879
414 Q88 0.8879
415 SXS 0.8878
416 5QX 0.8878
417 HQ9 0.8876
418 BEZ 0.8876
419 GSY 0.8876
420 C5A 0.8876
421 SE2 0.8876
422 VXX 0.8875
423 TAG 0.8875
424 8WT 0.8875
425 NIO 0.8874
426 GLN 0.8874
427 GT4 0.8874
428 KUF 0.8873
429 E7S 0.8873
430 L22 0.8873
431 PRZ 0.8872
432 F0J 0.8872
433 86L 0.8871
434 GTQ 0.8869
435 PZA 0.8868
436 7MU 0.8867
437 K6H 0.8867
438 CWS 0.8867
439 MEW 0.8866
440 ICB 0.8866
441 88L 0.8865
442 9RH 0.8865
443 SW7 0.8865
444 R20 0.8865
445 HLZ 0.8865
446 D48 0.8864
447 DNF 0.8863
448 HNH 0.8863
449 CIT 0.8863
450 M5K 0.8863
451 EHM 0.8862
452 54G 0.8862
453 HX4 0.8862
454 86J 0.8860
455 428 0.8860
456 F31 0.8859
457 45L 0.8859
458 CK2 0.8858
459 BZX 0.8858
460 NAG 0.8858
461 QMP 0.8858
462 BE2 0.8858
463 9TW 0.8857
464 M72 0.8856
465 TGX 0.8855
466 6PC 0.8855
467 PRF 0.8854
468 6NI 0.8854
469 SD4 0.8853
470 GXY 0.8853
471 SKM 0.8852
472 KW8 0.8852
473 2EC 0.8851
474 2HU 0.8850
475 M1Q 0.8850
476 GBN 0.8850
477 A5E 0.8850
478 CHB 0.8850
479 0F9 0.8849
480 6ME 0.8849
481 XDK 0.8849
482 3R6 0.8848
483 JDN 0.8848
484 HXY 0.8848
485 795 0.8847
486 5RN 0.8847
487 QSB 0.8846
488 5WV 0.8846
489 5JL 0.8845
490 QUS 0.8844
491 FBJ 0.8844
492 IYR 0.8844
493 IT2 0.8843
494 E7Z 0.8843
495 4BY 0.8842
496 1Z6 0.8842
497 DIN 0.8842
498 7BC 0.8842
499 XRG 0.8841
500 E1T 0.8841
501 7FF 0.8841
502 PHU 0.8841
503 UNU 0.8840
504 BPN 0.8839
505 GCO 0.8838
506 2HO 0.8838
507 2LY 0.8837
508 GAB 0.8837
509 3TC 0.8837
510 GLU 0.8836
511 JB8 0.8836
512 ALA ALA 0.8836
513 0RW 0.8835
514 AJ2 0.8835
515 SS1 0.8835
516 M6H 0.8835
517 NBZ 0.8834
518 8CM 0.8834
519 RQD 0.8833
520 4A5 0.8832
521 I2E 0.8832
522 QSC 0.8831
523 AQO 0.8827
524 AZ8 0.8826
525 I4B 0.8826
526 SRT 0.8825
527 A7W 0.8823
528 XX2 0.8823
529 4YO 0.8823
530 5O6 0.8823
531 PDC 0.8822
532 BNS 0.8822
533 6FZ 0.8822
534 VOH 0.8822
535 SLC 0.8822
536 LT1 0.8822
537 4ZA 0.8821
538 IHB 0.8821
539 HF2 0.8821
540 15N 0.8821
541 DEE 0.8821
542 DHI 0.8820
543 CN0 0.8819
544 PJL 0.8819
545 LFC 0.8817
546 NGO 0.8817
547 6M9 0.8816
548 DQA 0.8816
549 J9Q 0.8815
550 F2W 0.8814
551 3MB 0.8814
552 HIO 0.8813
553 SAF 0.8812
554 Y4L 0.8812
555 OVM 0.8812
556 L13 0.8812
557 FA3 0.8812
558 1P7 0.8812
559 DQU 0.8811
560 B40 0.8810
561 GOE 0.8810
562 PZM 0.8810
563 OHP 0.8809
564 MRW 0.8809
565 M1H 0.8809
566 KDF 0.8808
567 SAL 0.8808
568 8IG 0.8807
569 4BL 0.8806
570 MAJ 0.8805
571 HGA 0.8805
572 4WL 0.8805
573 EOL 0.8804
574 FQI 0.8804
575 QTG 0.8803
576 256 0.8802
577 CKA 0.8800
578 BDP 0.8798
579 549 0.8798
580 56D 0.8798
581 E35 0.8797
582 2F6 0.8796
583 KKN 0.8795
584 HBA 0.8794
585 1XA 0.8794
586 J1K 0.8794
587 K82 0.8794
588 1BN 0.8793
589 PF1 0.8793
590 A9P 0.8793
591 NOJ 0.8793
592 M2K 0.8792
593 3HB 0.8792
594 4VP 0.8792
595 0NX 0.8791
596 CSN 0.8789
597 1FD 0.8789
598 7A8 0.8787
599 M3H 0.8787
600 75K 0.8787
601 SKA 0.8787
602 VM1 0.8785
603 OW4 0.8785
604 7W4 0.8785
605 5B1 0.8784
606 5M0 0.8784
607 MTL 0.8783
608 5RO 0.8783
609 7QS 0.8780
610 EYJ 0.8780
611 ES7 0.8780
612 SLS 0.8780
613 92P 0.8779
614 GLC 0.8779
615 8XL 0.8779
616 DAL DAL 0.8778
617 TTL 0.8778
618 HL5 0.8778
619 B55 0.8777
620 NTN 0.8776
621 5JQ 0.8775
622 MAN 0.8775
623 HMH 0.8775
624 SWA 0.8773
625 RUU 0.8773
626 JG8 0.8773
627 ISN 0.8772
628 H7Y 0.8772
629 F60 0.8772
630 KPL 0.8771
631 MQN 0.8771
632 TH7 0.8771
633 M1E 0.8771
634 LLH 0.8770
635 N4E 0.8769
636 DGL 0.8769
637 PD2 0.8769
638 AZM 0.8768
639 R9M 0.8767
640 5LA 0.8767
641 SNO 0.8766
642 5XB 0.8766
643 HA5 0.8765
644 LTT 0.8765
645 MEQ 0.8764
646 DIE 0.8764
647 5RG 0.8763
648 XIZ 0.8763
649 1QP 0.8763
650 DBJ 0.8763
651 8GK 0.8762
652 MO8 0.8762
653 9MG 0.8762
654 BZ2 0.8761
655 MUC 0.8761
656 DX3 0.8759
657 8NX 0.8759
658 8W9 0.8758
659 ESP 0.8758
660 OW7 0.8757
661 M58 0.8757
662 3ZB 0.8757
663 0A9 0.8757
664 KOJ 0.8756
665 RD4 0.8756
666 JND 0.8755
667 7B4 0.8755
668 24B 0.8754
669 4BZ 0.8753
670 8U3 0.8753
671 MPV 0.8752
672 DLT 0.8752
673 K7M 0.8751
674 P58 0.8751
675 5H1 0.8750
676 PCA 0.8750
677 4XR 0.8749
678 CXF 0.8748
679 0TU 0.8748
680 S0E 0.8746
681 3HM 0.8745
682 3DM 0.8743
683 FLV 0.8743
684 K34 0.8742
685 0XT 0.8742
686 14O 0.8742
687 GLY GLY 0.8742
688 MUA 0.8741
689 SQ4 0.8741
690 BNL 0.8741
691 AJ1 0.8740
692 PIM 0.8740
693 DYT 0.8740
694 DMD 0.8739
695 SHI 0.8738
696 JP2 0.8738
697 97T 0.8738
698 5MB 0.8737
699 DXG 0.8737
700 CLZ 0.8736
701 1IT 0.8736
702 3ID 0.8735
703 7Q1 0.8735
704 VGL 0.8735
705 3DO 0.8734
706 CEE 0.8733
707 ZZT 0.8733
708 HQD 0.8733
709 2K4 0.8732
710 5MI 0.8732
711 M6W 0.8731
712 95Z 0.8731
713 344 0.8730
714 9CA 0.8730
715 6LW 0.8730
716 R2P 0.8729
717 P9E 0.8729
718 ES9 0.8728
719 8NB 0.8728
720 OVP 0.8727
721 A7N 0.8727
722 FYU 0.8725
723 6AI 0.8725
724 11S 0.8725
725 2FQ 0.8724
726 M45 0.8724
727 OOG 0.8722
728 HJH 0.8722
729 PH2 0.8722
730 ONL 0.8721
731 DIG 0.8721
732 C1M 0.8721
733 4A3 0.8720
734 YTX 0.8720
735 UFO 0.8719
736 1AL 0.8719
737 GF4 0.8719
738 HMU 0.8719
739 CWM 0.8719
740 H4N 0.8718
741 R9Y 0.8718
742 52C 0.8718
743 SYC 0.8718
744 FK1 0.8717
745 KT7 0.8717
746 GAL 0.8717
747 QIC 0.8716
748 7O4 0.8714
749 XAZ 0.8712
750 DBH 0.8712
751 2KA 0.8711
752 FHB 0.8710
753 3NT 0.8710
754 CS2 0.8709
755 ZON 0.8708
756 UNJ 0.8708
757 AC0 0.8706
758 NNO 0.8706
759 3BZ 0.8706
760 KMT 0.8706
761 ALA PRO 0.8705
762 8H8 0.8704
763 OVV 0.8704
764 GO2 0.8703
765 DGN 0.8701
766 OAA 0.8701
767 NDG 0.8701
768 BGC 0.8700
769 RNO 0.8700
770 AJV 0.8700
771 ABV 0.8700
772 12T 0.8698
773 BTY 0.8697
774 BEA 0.8697
775 TLA 0.8697
776 ONR 0.8697
777 4Z4 0.8696
778 1U6 0.8696
779 KTA 0.8694
780 0FK 0.8693
781 B62 0.8692
782 AOT 0.8691
783 RAT 0.8691
784 4CS 0.8691
785 TVP 0.8690
786 GLY CYS 0.8690
787 DRL 0.8689
788 3C7 0.8689
789 LYL 0.8689
790 SSB 0.8689
791 N7P 0.8687
792 5MK 0.8687
793 L03 0.8686
794 3AB 0.8685
795 N2Y 0.8684
796 I38 0.8682
797 SX1 0.8681
798 EYK 0.8681
799 ES0 0.8680
800 PRY 0.8680
801 PYU 0.8679
802 TWO 0.8678
803 JW8 0.8678
804 51R 0.8677
805 BCK 0.8676
806 PRO GLY 0.8676
807 AMR 0.8676
808 1SV 0.8672
809 5LD 0.8672
810 A9O 0.8672
811 OTW 0.8670
812 CH9 0.8670
813 2AK 0.8669
814 ESX 0.8669
815 0OY 0.8665
816 4ZD 0.8663
817 44V 0.8663
818 JU2 0.8662
819 AHR 0.8662
820 XAN 0.8662
821 QX4 0.8661
822 4ME 0.8661
823 YCP 0.8660
824 ZZ2 0.8660
825 AJY 0.8659
826 IF7 0.8658
827 UEG 0.8658
828 8NY 0.8656
829 M6Z 0.8656
830 M1Z 0.8654
831 8G0 0.8654
832 FLC 0.8652
833 ZXD 0.8651
834 PIY 0.8651
835 K80 0.8651
836 DDU 0.8651
837 4ZC 0.8650
838 8HC 0.8650
839 EUE 0.8649
840 2AL 0.8649
841 6HO 0.8649
842 K4V 0.8649
843 JRB 0.8647
844 3QV 0.8646
845 0W1 0.8646
846 DA4 0.8646
847 INE 0.8645
848 LKA 0.8645
849 D2G 0.8645
850 30G 0.8645
851 SVN 0.8644
852 TZM 0.8643
853 NHG 0.8643
854 IFL 0.8643
855 FP1 0.8643
856 0FO 0.8642
857 7W1 0.8642
858 5HY 0.8642
859 GLR 0.8641
860 MLT 0.8641
861 54Z 0.8638
862 KWH 0.8638
863 X11 0.8638
864 5WY 0.8637
865 JLZ 0.8636
866 BSX 0.8635
867 XHP 0.8635
868 9FE 0.8635
869 CUW 0.8634
870 2TQ 0.8634
871 FRU 0.8634
872 LYS 0.8632
873 YF3 0.8632
874 82I 0.8631
875 3AL 0.8631
876 D1X 0.8631
877 6CS 0.8630
878 78Y 0.8629
879 44W 0.8629
880 NOY 0.8627
881 149 0.8627
882 1LN 0.8627
883 AX7 0.8626
884 34V 0.8626
885 APS 0.8626
886 9EW 0.8625
887 DMJ 0.8625
888 67X 0.8624
889 TAR 0.8624
890 MNM 0.8624
891 X0U 0.8623
892 3GZ 0.8619
893 0N7 0.8618
894 4JM 0.8618
895 DUR 0.8618
896 B60 0.8617
897 S7S 0.8617
898 BZQ 0.8616
899 2PG 0.8615
900 EGV 0.8615
901 ROI 0.8610
902 1Z8 0.8610
903 5GT 0.8610
904 5F5 0.8608
905 HHR 0.8608
906 GNV 0.8607
907 DHS 0.8607
908 1DW 0.8607
909 OK7 0.8606
910 MAQ 0.8605
911 53C 0.8605
912 S2T 0.8603
913 226 0.8601
914 WCE 0.8600
915 EV0 0.8599
916 3V4 0.8598
917 7MW 0.8597
918 TNX 0.8597
919 AX3 0.8595
920 JVN 0.8595
921 JZ4 0.8595
922 GLA 0.8591
923 C9E 0.8590
924 9KH 0.8590
925 657 0.8589
926 RKV 0.8588
927 FCD 0.8588
928 GGL 0.8587
929 RA7 0.8587
930 NSP 0.8583
931 MD6 0.8583
932 9DG 0.8582
933 V1T 0.8581
934 6X9 0.8580
935 XXP 0.8580
936 2HG 0.8575
937 9VZ 0.8575
938 FDR 0.8574
939 Z5P 0.8574
940 ARP 0.8574
941 5HN 0.8573
942 GUN 0.8573
943 BPY 0.8572
944 TTY 0.8569
945 DCZ 0.8569
946 NGT 0.8568
947 492 0.8567
948 MFU 0.8567
949 AFR 0.8566
950 SEP 0.8565
951 CTN 0.8565
952 KYA 0.8562
953 JZ5 0.8560
954 UN1 0.8558
955 BRT 0.8552
956 ILE 0.8552
957 UAN 0.8551
958 4NG 0.8549
959 URQ 0.8549
960 TEO 0.8543
961 2IT 0.8540
962 2O8 0.8532
963 FA6 0.8530
964 12Q 0.8530
965 2MI 0.8529
966 M5H 0.8528
967 DAH 0.8526
968 OEM 0.8522
969 WOO 0.8520
970 JTA 0.8517
971 1NP 0.8514
972 B0D 0.8508
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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