Receptor
PDB id Resolution Class Description Source Keywords
5akx 2.09 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:1549;
A:1550;
 Invalid;
Invalid;
 none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
8NY A:1551;
 Valid;
 none;
 submit data
244.032 C7 H5 I N2 c1cc2...
SO4 A:1548;
 Invalid;
 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: 8NY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8NY 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 8NY; Similar ligands found: 1121
No: Ligand Similarity coefficient
1 H4N 1.0000
2 FK1 1.0000
3 ES9 0.9991
4 11S 0.9977
5 5MI 0.9900
6 5MB 0.9894
7 6AI 0.9887
8 F60 0.9867
9 BZX 0.9863
10 5H1 0.9855
11 2K4 0.9852
12 14O 0.9837
13 VGD 0.9797
14 JAE 0.9789
15 36R 0.9752
16 1P8 0.9752
17 CLW 0.9746
18 RM1 0.9733
19 BZ3 0.9726
20 ES2 0.9714
21 4FS 0.9713
22 JB5 0.9709
23 F9Y 0.9708
24 H42 0.9690
25 1P7 0.9689
26 MR1 0.9686
27 ES5 0.9684
28 2AQ 0.9682
29 5B1 0.9677
30 03V 0.9673
31 QWN 0.9664
32 COU 0.9652
33 5VM 0.9648
34 5XC 0.9640
35 BOA 0.9638
36 ET2 0.9633
37 5OB 0.9629
38 NPO 0.9608
39 1XM 0.9606
40 IND 0.9602
41 5WV 0.9597
42 QXW 0.9597
43 AHR 0.9597
44 BZI 0.9595
45 BZF 0.9594
46 DEN 0.9592
47 0CU 0.9589
48 LZ1 0.9582
49 DMD 0.9581
50 14J 0.9579
51 PHB 0.9578
52 OCH 0.9576
53 9DG 0.9576
54 4JP 0.9574
55 GVH 0.9572
56 ABV 0.9568
57 BCP 0.9562
58 0CT 0.9562
59 0R1 0.9561
60 1PT 0.9557
61 GUN 0.9549
62 MPI 0.9545
63 M1A 0.9541
64 67N 0.9540
65 Z82 0.9540
66 2BG 0.9538
67 JA8 0.9534
68 6GU 0.9533
69 QUZ 0.9533
70 XAN 0.9532
71 TH7 0.9532
72 2HQ 0.9528
73 K2T 0.9528
74 0RW 0.9528
75 YH7 0.9527
76 7W4 0.9525
77 NPY 0.9522
78 AZG 0.9521
79 A2F 0.9519
80 IDM 0.9519
81 XQ0 0.9519
82 XYP 0.9518
83 6AP 0.9516
84 6M9 0.9513
85 GLC 0.9510
86 I3A 0.9509
87 AZA 0.9508
88 174 0.9508
89 RSF 0.9502
90 2MI 0.9500
91 HMH 0.9495
92 AX7 0.9495
93 8GC 0.9495
94 LZM 0.9490
95 8ZE 0.9489
96 PAB 0.9489
97 HH5 0.9484
98 DX4 0.9482
99 42A 0.9481
100 XIY 0.9477
101 7HQ 0.9476
102 BEN 0.9476
103 141 0.9474
104 F05 0.9472
105 5JQ 0.9469
106 BEZ 0.9469
107 ISN 0.9468
108 FBB 0.9462
109 NMJ 0.9462
110 717 0.9461
111 1DW 0.9461
112 FQI 0.9460
113 IGA 0.9460
114 9EW 0.9460
115 3ID 0.9455
116 XQG 0.9455
117 ISZ 0.9455
118 JZ9 0.9450
119 270 0.9450
120 OAA 0.9446
121 HBD 0.9440
122 NOJ 0.9440
123 0JD 0.9438
124 5UC 0.9436
125 NBZ 0.9435
126 FYU 0.9432
127 YCP 0.9432
128 8H8 0.9431
129 27Y 0.9430
130 KDV 0.9428
131 1Y6 0.9428
132 TH0 0.9426
133 4CS 0.9424
134 6M4 0.9423
135 BGC 0.9422
136 4JT 0.9420
137 KKN 0.9419
138 4M0 0.9416
139 MCT 0.9416
140 PNZ 0.9416
141 290 0.9415
142 TDR 0.9415
143 GAB 0.9415
144 TSS 0.9415
145 NCA 0.9414
146 M6N 0.9413
147 LXC 0.9413
148 WCE 0.9412
149 HBA 0.9412
150 1M2 0.9410
151 2CK 0.9409
152 N2I 0.9408
153 ES7 0.9406
154 MZG 0.9405
155 XBT 0.9404
156 BHO 0.9403
157 3F0 0.9402
158 3HB 0.9402
159 5JC 0.9401
160 3NT 0.9398
161 FA0 0.9397
162 E5X 0.9396
163 MWJ 0.9395
164 XAZ 0.9395
165 NIZ 0.9394
166 3AB 0.9394
167 I1E 0.9393
168 MEW 0.9392
169 IUR 0.9391
170 IDH 0.9390
171 SKA 0.9390
172 4BZ 0.9389
173 HPA 0.9388
174 4MA 0.9388
175 1MC 0.9387
176 NIO 0.9387
177 BAM 0.9379
178 4CL 0.9375
179 4JM 0.9375
180 4HO 0.9375
181 2CQ 0.9375
182 TTL 0.9374
183 SVN 0.9373
184 WBU 0.9372
185 URF 0.9372
186 6PC 0.9372
187 BR9 0.9371
188 3HA 0.9370
189 5CU 0.9369
190 HLR 0.9369
191 AZ8 0.9368
192 0TU 0.9368
193 4JO 0.9367
194 5HN 0.9367
195 HMU 0.9366
196 NSP 0.9362
197 4VP 0.9360
198 BRT 0.9359
199 3M0 0.9358
200 BSX 0.9355
201 SYV 0.9355
202 PKU 0.9355
203 OVV 0.9354
204 5NU 0.9351
205 KOJ 0.9351
206 KUF 0.9348
207 4YO 0.9346
208 4HM 0.9346
209 4JU 0.9346
210 4JJ 0.9344
211 3BZ 0.9341
212 DOB 0.9341
213 PZA 0.9340
214 SAL 0.9340
215 KJU 0.9340
216 4SV 0.9340
217 BE2 0.9338
218 BHA 0.9337
219 CTL 0.9336
220 PE0 0.9335
221 M5K 0.9334
222 5JL 0.9334
223 PBZ 0.9333
224 24B 0.9333
225 CWS 0.9331
226 J1Z 0.9331
227 XM0 0.9327
228 ADE 0.9326
229 2MH 0.9325
230 5MH 0.9324
231 826 0.9323
232 URC 0.9323
233 7B4 0.9322
234 MRW 0.9319
235 43M 0.9319
236 3PF 0.9319
237 DBH 0.9318
238 R8S 0.9318
239 Q24 0.9317
240 75K 0.9315
241 CFP 0.9314
242 JBK 0.9312
243 OVP 0.9311
244 53C 0.9310
245 F81 0.9308
246 G3E 0.9308
247 4XR 0.9308
248 7W1 0.9307
249 4HS 0.9307
250 MWM 0.9306
251 AJ2 0.9305
252 ES4 0.9303
253 UNU 0.9299
254 SX1 0.9298
255 M1E 0.9298
256 10L 0.9298
257 JBE 0.9298
258 4HC 0.9297
259 0R0 0.9297
260 PM6 0.9296
261 MQN 0.9295
262 AC0 0.9294
263 5QY 0.9294
264 ZZT 0.9293
265 NK 0.9292
266 5GU 0.9290
267 ANN 0.9289
268 B55 0.9289
269 6MP 0.9288
270 275 0.9288
271 HQT 0.9287
272 FE DB1 0.9286
273 ICP 0.9286
274 AQO 0.9285
275 3MB 0.9285
276 3U4 0.9285
277 SW7 0.9283
278 54D 0.9283
279 RHU 0.9283
280 MLT 0.9283
281 JZ2 0.9281
282 CWJ 0.9279
283 DHR 0.9279
284 VGL 0.9278
285 7HP 0.9277
286 H8N 0.9277
287 GCS 0.9275
288 GTQ 0.9274
289 G3F 0.9274
290 LG4 0.9273
291 86J 0.9272
292 XBZ 0.9271
293 9DA 0.9271
294 ZBT 0.9271
295 9HX 0.9269
296 1F1 0.9269
297 N5J 0.9268
298 NTN 0.9268
299 FDB 0.9266
300 JZ3 0.9265
301 1SQ 0.9265
302 CWM 0.9265
303 5Q0 0.9264
304 4ZE 0.9264
305 PXL 0.9264
306 BTY 0.9263
307 Q88 0.9263
308 YRL 0.9262
309 BML 0.9262
310 P92 0.9262
311 OVM 0.9261
312 4FA 0.9261
313 261 0.9258
314 PEA 0.9256
315 2PC 0.9255
316 2EC 0.9254
317 A7W 0.9253
318 6NT 0.9253
319 7CZ 0.9252
320 5IQ 0.9251
321 BP1 0.9250
322 5QX 0.9250
323 CFI 0.9250
324 IV2 0.9249
325 259 0.9249
326 ES6 0.9248
327 J5I 0.9247
328 82I 0.9246
329 HQE 0.9245
330 5RG 0.9243
331 BPN 0.9243
332 2AC 0.9242
333 23A 0.9242
334 1LQ 0.9241
335 OW4 0.9240
336 9R5 0.9240
337 2YU 0.9239
338 4JQ 0.9238
339 3DM 0.9238
340 ES1 0.9237
341 4AA 0.9237
342 1WG 0.9237
343 D48 0.9237
344 PBC 0.9237
345 PCR 0.9236
346 PLQ 0.9236
347 4YS 0.9235
348 5MK 0.9234
349 12Q 0.9234
350 0P6 0.9233
351 EA1 0.9233
352 4JN 0.9233
353 54G 0.9232
354 150 0.9228
355 IOL 0.9228
356 3OC 0.9227
357 6CS 0.9227
358 CRS 0.9227
359 XYD 0.9226
360 5SG 0.9226
361 1NP 0.9226
362 TPA 0.9226
363 FPY 0.9225
364 34A 0.9223
365 FOA 0.9222
366 94W 0.9221
367 ASO 0.9220
368 45C 0.9220
369 7WA 0.9220
370 5RN 0.9220
371 JAW 0.9218
372 173 0.9218
373 ADZ 0.9215
374 4CH 0.9214
375 25R 0.9214
376 PYD 0.9213
377 PXY 0.9212
378 7MU 0.9211
379 0TR 0.9210
380 2ZM 0.9210
381 9MG 0.9208
382 FPN 0.9208
383 PRO 0.9205
384 2MP 0.9204
385 Y8I 0.9204
386 JLZ 0.9203
387 PYC 0.9202
388 8S0 0.9202
389 A1U 0.9200
390 4NC 0.9200
391 5M0 0.9198
392 OXQ 0.9197
393 2HU 0.9197
394 DHB 0.9197
395 DIN 0.9195
396 0HN 0.9193
397 HY3 0.9193
398 B53 0.9192
399 GAG 0.9190
400 DA1 0.9190
401 BCU 0.9189
402 0HO 0.9189
403 G6D 0.9189
404 SE2 0.9188
405 1LM 0.9188
406 1DV 0.9187
407 M58 0.9186
408 282 0.9186
409 F4Z 0.9185
410 ES0 0.9185
411 8WT 0.9184
412 6RQ 0.9183
413 4ZC 0.9178
414 FP1 0.9177
415 1WD 0.9177
416 8WO 0.9175
417 TM7 0.9174
418 HT4 0.9174
419 AEF 0.9173
420 P9P 0.9173
421 HGQ 0.9171
422 OK7 0.9170
423 HHA 0.9170
424 JPZ 0.9170
425 HQY 0.9170
426 7VS 0.9170
427 3NY 0.9170
428 JKE 0.9169
429 HIS 0.9169
430 8TX 0.9168
431 GBD 0.9167
432 IT2 0.9167
433 3XX 0.9166
434 SS1 0.9165
435 RCO 0.9164
436 ABI 0.9162
437 SHA 0.9161
438 EUG 0.9161
439 QSC 0.9160
440 AMC 0.9160
441 BE7 0.9159
442 5NI 0.9159
443 4NM 0.9158
444 FAN 0.9157
445 4JL 0.9157
446 BTE 0.9155
447 FPI 0.9154
448 51R 0.9153
449 R8V 0.9153
450 HBX 0.9152
451 MYJ 0.9151
452 2D0 0.9149
453 AC6 0.9149
454 XYS 0.9148
455 8CM 0.9147
456 4XH 0.9146
457 HHQ 0.9146
458 F9P 0.9145
459 3HM 0.9144
460 2LP 0.9144
461 FBA 0.9142
462 FBM 0.9141
463 4P5 0.9141
464 PCA 0.9141
465 GAL 0.9141
466 SOE 0.9141
467 KJH 0.9140
468 JB8 0.9140
469 OTR 0.9136
470 24W 0.9133
471 3CH 0.9132
472 25W 0.9132
473 HEW 0.9131
474 P72 0.9130
475 6NI 0.9130
476 3Z7 0.9130
477 C21 0.9129
478 XX2 0.9126
479 B3R 0.9126
480 TC7 0.9125
481 284 0.9125
482 3Z8 0.9121
483 P3K 0.9121
484 JDN 0.9120
485 B57 0.9119
486 TP5 0.9118
487 6VD 0.9116
488 IFL 0.9116
489 1DU 0.9115
490 TIU 0.9115
491 R9Y 0.9113
492 3A9 0.9112
493 J6W 0.9111
494 2A9 0.9110
495 QX2 0.9110
496 URA 0.9110
497 XRG 0.9110
498 CYT 0.9110
499 INO 0.9109
500 8IG 0.9109
501 3ZQ 0.9109
502 4A3 0.9108
503 60P 0.9106
504 QWW 0.9106
505 SYN 0.9103
506 BVF 0.9103
507 PZI 0.9102
508 LT2 0.9101
509 JBN 0.9101
510 LG3 0.9100
511 HH8 0.9099
512 ICO 0.9096
513 PY7 0.9094
514 93K 0.9093
515 1P3 0.9092
516 TZC 0.9091
517 M3T 0.9090
518 ODO 0.9090
519 QBK 0.9088
520 FCR 0.9088
521 C2B 0.9088
522 O72 0.9086
523 DYA 0.9086
524 N8Y 0.9085
525 ECE 0.9083
526 265 0.9082
527 FUC 0.9080
528 MZW 0.9080
529 SR1 0.9078
530 LDP 0.9075
531 URP 0.9075
532 M4T 0.9074
533 FHB 0.9074
534 TSU 0.9072
535 ABN 0.9072
536 FUL 0.9072
537 HX3 0.9068
538 J9T 0.9068
539 TLD 0.9067
540 7WV 0.9065
541 HDH 0.9064
542 HLZ 0.9064
543 PYG 0.9064
544 LG5 0.9062
545 9TZ 0.9061
546 NDH 0.9060
547 15E 0.9060
548 C2A 0.9060
549 DFB 0.9060
550 268 0.9059
551 LMR 0.9054
552 SWD 0.9054
553 7WG 0.9054
554 B62 0.9053
555 DIU 0.9052
556 2HO 0.9051
557 4WL 0.9050
558 GYE 0.9049
559 MAE 0.9049
560 2ZV 0.9047
561 DGJ 0.9047
562 KT7 0.9045
563 RIP 0.9045
564 5AC 0.9044
565 JBH 0.9044
566 KIV 0.9042
567 GRE 0.9041
568 EQT 0.9040
569 4H2 0.9040
570 ARB 0.9040
571 L3Q 0.9039
572 AZ9 0.9039
573 OHG 0.9039
574 J9Q 0.9039
575 VNJ 0.9038
576 NNO 0.9036
577 V55 0.9036
578 G5V 0.9035
579 26D 0.9035
580 MWP 0.9034
581 JAB 0.9032
582 GXY 0.9031
583 WOT 0.9030
584 MS9 0.9030
585 QSB 0.9030
586 AKG 0.9028
587 RSO 0.9027
588 286 0.9025
589 CIG 0.9024
590 3R6 0.9023
591 0MK 0.9022
592 SMV 0.9022
593 E1T 0.9021
594 PHU 0.9020
595 CAQ 0.9019
596 DRL 0.9018
597 273 0.9017
598 PZM 0.9016
599 G2F 0.9015
600 258 0.9014
601 3CE 0.9011
602 PYF 0.9011
603 DBX 0.9011
604 MUA 0.9009
605 4Z4 0.9008
606 PQ0 0.9008
607 T6C 0.9008
608 MAK 0.9006
609 3FH 0.9006
610 BDP 0.9005
611 2FY 0.9004
612 6F0 0.9002
613 DFU 0.9002
614 IFP 0.9001
615 AGK 0.9001
616 3SK 0.8999
617 F0J 0.8998
618 GIF 0.8998
619 XHP 0.8997
620 OTW 0.8997
621 DTL 0.8997
622 CHB 0.8995
623 9ZE 0.8993
624 L89 0.8993
625 VK3 0.8991
626 3DO 0.8991
627 HA5 0.8991
628 IPB 0.8990
629 DE5 0.8990
630 0W8 0.8989
631 SRT 0.8988
632 JZ5 0.8988
633 K34 0.8986
634 MBD 0.8986
635 6MH 0.8986
636 PBA 0.8985
637 KJY 0.8984
638 M1H 0.8984
639 SAN 0.8984
640 9TW 0.8983
641 RJY 0.8982
642 VNL 0.8981
643 AZF 0.8981
644 0FN 0.8979
645 GIO 0.8977
646 1XN 0.8975
647 OXE 0.8975
648 NOY 0.8973
649 M2K 0.8973
650 K17 0.8972
651 8GF 0.8971
652 IFM 0.8971
653 2CH 0.8969
654 BEW 0.8969
655 3FA 0.8968
656 6X8 0.8967
657 HQJ 0.8966
658 XUL 0.8965
659 0FO 0.8965
660 40O 0.8965
661 42C 0.8963
662 2CM 0.8963
663 44W 0.8962
664 E7Z 0.8961
665 DQU 0.8961
666 15N 0.8961
667 E7S 0.8961
668 TGX 0.8960
669 2H5 0.8960
670 NQ 0.8959
671 RD4 0.8958
672 DUC 0.8957
673 3WA 0.8956
674 3MC 0.8955
675 92Z 0.8954
676 AJV 0.8953
677 F5B 0.8953
678 MNM 0.8953
679 MO8 0.8952
680 PRS 0.8951
681 IHB 0.8950
682 97T 0.8950
683 AAS 0.8950
684 9FL 0.8949
685 GZL 0.8948
686 2C9 0.8947
687 PRZ 0.8947
688 DBJ 0.8945
689 23W 0.8945
690 RB5 0.8945
691 4ME 0.8945
692 RIB 0.8944
693 8OZ 0.8944
694 42J 0.8944
695 GMN 0.8943
696 CTS 0.8942
697 44V 0.8942
698 BP9 0.8941
699 280 0.8941
700 2AK 0.8940
701 35C 0.8940
702 7NI 0.8940
703 PRF 0.8940
704 5WX 0.8940
705 6M1 0.8939
706 ICC 0.8939
707 3RK 0.8939
708 UAN 0.8938
709 4ZA 0.8938
710 93Q 0.8937
711 FUD 0.8935
712 OXZ 0.8934
713 INE 0.8933
714 HSM 0.8933
715 BZ2 0.8933
716 JZ4 0.8933
717 1DQ 0.8933
718 M6W 0.8932
719 8LG 0.8932
720 DMG 0.8931
721 JFD 0.8930
722 1MR 0.8930
723 PRY 0.8930
724 HQD 0.8930
725 938 0.8930
726 TMZ 0.8929
727 Q6T 0.8928
728 DIE 0.8928
729 C2U 0.8926
730 DEE 0.8925
731 UNC 0.8924
732 OXC 0.8924
733 ASP 0.8924
734 TLA 0.8923
735 SHG 0.8918
736 69O 0.8917
737 1AN 0.8917
738 HIO 0.8916
739 2AL 0.8916
740 NBE 0.8915
741 LDU 0.8915
742 2MY 0.8914
743 DHQ 0.8913
744 HPY 0.8913
745 32X 0.8912
746 FP2 0.8912
747 JBQ 0.8912
748 FCA 0.8910
749 H76 0.8910
750 K8X 0.8909
751 FLM 0.8908
752 KYD 0.8908
753 8K2 0.8907
754 M1Q 0.8907
755 JIF 0.8906
756 LGC 0.8906
757 FB2 0.8905
758 F4E 0.8903
759 ADK 0.8899
760 4M4 0.8899
761 2DR 0.8899
762 F31 0.8897
763 SJ5 0.8896
764 FFP 0.8895
765 2AF 0.8895
766 TFB 0.8895
767 EKZ 0.8894
768 9CL 0.8893
769 J9W 0.8893
770 92K 0.8892
771 ABE 0.8892
772 92P 0.8892
773 TEP 0.8891
774 6FZ 0.8891
775 APY 0.8890
776 HSO 0.8889
777 PEL 0.8887
778 SWA 0.8886
779 CXF 0.8886
780 TBP 0.8885
781 MXN 0.8884
782 LCN 0.8884
783 DUB 0.8884
784 5RO 0.8881
785 TBS 0.8881
786 RAM 0.8881
787 7MH 0.8880
788 JZ1 0.8879
789 9FE 0.8878
790 B60 0.8877
791 HTS 0.8877
792 0N7 0.8877
793 RXA 0.8876
794 76X 0.8875
795 MLA 0.8875
796 S76 0.8875
797 QOS 0.8874
798 PDC 0.8873
799 UY7 0.8873
800 H3M 0.8870
801 M4E 0.8869
802 3MA 0.8868
803 GLA 0.8867
804 4MU 0.8865
805 069 0.8863
806 XXR 0.8863
807 1SA 0.8862
808 3MH 0.8861
809 MVN 0.8860
810 FBV 0.8860
811 MLI 0.8860
812 TM4 0.8858
813 AMH 0.8858
814 ORO 0.8858
815 IAC 0.8858
816 8W9 0.8857
817 PD2 0.8856
818 TEO 0.8854
819 A29 0.8852
820 9CA 0.8852
821 HYP 0.8851
822 3BU 0.8850
823 FBS 0.8849
824 9X7 0.8847
825 JXN 0.8847
826 HSE 0.8846
827 L99 0.8846
828 K5W 0.8845
829 RNO 0.8844
830 JND 0.8843
831 SRO 0.8842
832 KYA 0.8842
833 FBW 0.8840
834 MT0 0.8839
835 FBJ 0.8839
836 2F6 0.8839
837 SNO 0.8836
838 MAQ 0.8835
839 4J8 0.8835
840 GOO 0.8835
841 AKH 0.8833
842 GAF 0.8833
843 IF7 0.8832
844 4XX 0.8832
845 X05 0.8831
846 9TY 0.8831
847 ICB 0.8830
848 149 0.8830
849 LKA 0.8830
850 6KT 0.8829
851 T9G 0.8829
852 FOT 0.8828
853 1DH 0.8828
854 25T 0.8828
855 FB1 0.8828
856 HZQ 0.8827
857 HJP 0.8827
858 ARA 0.8827
859 TMT 0.8825
860 495 0.8824
861 ESX 0.8824
862 SLS 0.8823
863 ALL 0.8823
864 GXL 0.8822
865 MAN 0.8821
866 RMN 0.8821
867 ZZ3 0.8820
868 RBL 0.8820
869 R8A 0.8818
870 TYL 0.8817
871 BEA 0.8816
872 P2D 0.8816
873 37T 0.8815
874 X0V 0.8814
875 A13 0.8813
876 MRZ 0.8812
877 39A 0.8811
878 DMJ 0.8810
879 EYK 0.8810
880 GLU 0.8809
881 94N 0.8807
882 EXO 0.8805
883 FLA 0.8804
884 M2H 0.8803
885 NDM 0.8802
886 PAF 0.8801
887 4TU 0.8800
888 6ME 0.8800
889 BDF 0.8800
890 FRU 0.8800
891 PAC 0.8799
892 HAI 0.8799
893 3V4 0.8797
894 XYL 0.8796
895 D07 0.8795
896 ESP 0.8794
897 WOO 0.8793
898 DHK 0.8792
899 DOR 0.8791
900 BNF 0.8790
901 4JC 0.8789
902 DNF 0.8787
903 SS2 0.8787
904 2FG 0.8787
905 DTU 0.8787
906 XCZ 0.8785
907 CEE 0.8785
908 2IM 0.8785
909 1IT 0.8783
910 JZ0 0.8782
911 MAJ 0.8782
912 PYJ 0.8782
913 APZ 0.8780
914 7ME 0.8780
915 X09 0.8780
916 PMB 0.8780
917 3IT 0.8780
918 IPH 0.8779
919 5WY 0.8778
920 1XX 0.8775
921 GDE 0.8775
922 GLL 0.8775
923 CYH 0.8775
924 AW5 0.8774
925 VAL 0.8774
926 X6X 0.8773
927 TTY 0.8771
928 RM4 0.8771
929 1U6 0.8770
930 FA1 0.8769
931 HXX 0.8768
932 GCU 0.8768
933 KPL 0.8767
934 YTB 0.8766
935 YPN 0.8763
936 PXM 0.8762
937 4FH 0.8761
938 9YL 0.8760
939 YHO 0.8759
940 SOR 0.8759
941 KIB 0.8758
942 NID 0.8756
943 TAR 0.8755
944 A2Q 0.8754
945 R2B 0.8753
946 PEP 0.8753
947 C5J 0.8752
948 KMT 0.8751
949 FCB 0.8751
950 OW7 0.8750
951 YAN 0.8749
952 FUF 0.8749
953 GIV 0.8749
954 2AP 0.8748
955 PIM 0.8748
956 D1X 0.8747
957 CEJ 0.8747
958 BK9 0.8746
959 B24 0.8745
960 3AP 0.8745
961 PYQ 0.8743
962 428 0.8743
963 7N0 0.8743
964 QPR 0.8742
965 3SL 0.8742
966 ASC 0.8740
967 BMA 0.8740
968 9PO 0.8740
969 MET 0.8737
970 MBN 0.8735
971 3PY 0.8735
972 BNS 0.8733
973 8G0 0.8732
974 G4D 0.8731
975 LYL 0.8730
976 HRZ 0.8730
977 7ZE 0.8729
978 DS0 0.8729
979 4AP 0.8728
980 IP0 0.8727
981 2KT 0.8727
982 SKM 0.8725
983 CPZ 0.8724
984 TZF 0.8724
985 8XL 0.8721
986 C2Y 0.8717
987 M4S 0.8717
988 CRN 0.8717
989 FDK 0.8715
990 M0Q 0.8714
991 24T 0.8712
992 IJZ 0.8710
993 QX4 0.8710
994 RNS 0.8710
995 PFB 0.8710
996 SIN 0.8710
997 INS 0.8708
998 IBF 0.8707
999 13X 0.8707
1000 CLZ 0.8704
1001 1AB 0.8701
1002 K32 0.8701
1003 UEG 0.8700
1004 L5V 0.8700
1005 HVK 0.8700
1006 FGZ 0.8698
1007 13P 0.8696
1008 34D 0.8694
1009 0F9 0.8694
1010 3QV 0.8693
1011 DA4 0.8692
1012 AL0 0.8691
1013 GXE 0.8691
1014 EV0 0.8689
1015 PHE 0.8687
1016 KBG 0.8685
1017 ESI 0.8685
1018 J9N 0.8684
1019 LNR 0.8683
1020 HCS 0.8683
1021 TT4 0.8683
1022 I3E 0.8682
1023 IWT 0.8681
1024 SN4 0.8681
1025 AAE 0.8680
1026 HYN 0.8680
1027 BBF 0.8678
1028 PH2 0.8678
1029 URQ 0.8677
1030 4NB 0.8676
1031 HHR 0.8674
1032 6UA 0.8674
1033 2HC 0.8672
1034 2XX 0.8671
1035 RPQ 0.8671
1036 FH2 0.8671
1037 H7Y 0.8670
1038 K22 0.8670
1039 F12 0.8668
1040 PA1 0.8668
1041 BCF 0.8667
1042 329 0.8666
1043 FPK 0.8664
1044 LSA 0.8662
1045 ASN 0.8662
1046 FBT 0.8661
1047 PHH 0.8660
1048 LGA 0.8660
1049 7B3 0.8659
1050 4VY 0.8656
1051 1GN 0.8656
1052 JYB 0.8653
1053 PBE 0.8651
1054 GJP 0.8650
1055 0FK 0.8650
1056 CFF 0.8650
1057 F1A 0.8648
1058 DHS 0.8648
1059 LQ2 0.8648
1060 JTH 0.8647
1061 ALO 0.8646
1062 UFO 0.8644
1063 285 0.8640
1064 PEY 0.8639
1065 FUM 0.8637
1066 OKG 0.8636
1067 CN0 0.8634
1068 BSP 0.8632
1069 680 0.8632
1070 LYS 0.8631
1071 MFB 0.8630
1072 5CL 0.8630
1073 OA3 0.8630
1074 2FQ 0.8629
1075 AX2 0.8628
1076 GJZ 0.8625
1077 6HQ 0.8624
1078 KG7 0.8624
1079 SXS 0.8623
1080 BVC 0.8623
1081 4RU 0.8618
1082 5LA 0.8618
1083 K6X 0.8615
1084 HFB 0.8615
1085 0LH 0.8613
1086 GO2 0.8613
1087 TOF 0.8612
1088 7VJ 0.8611
1089 QY9 0.8610
1090 9KT 0.8610
1091 A7H 0.8609
1092 XIX 0.8609
1093 9RW 0.8606
1094 XLS 0.8605
1095 YSO 0.8603
1096 ZXD 0.8603
1097 8HC 0.8602
1098 27B 0.8601
1099 39O 0.8597
1100 M0W 0.8597
1101 12B 0.8596
1102 8CL 0.8595
1103 TZE 0.8590
1104 MSN 0.8587
1105 L60 0.8580
1106 NCT 0.8579
1107 209 0.8577
1108 WDL 0.8576
1109 SMN 0.8574
1110 Z5P 0.8573
1111 GLT 0.8573
1112 FDR 0.8567
1113 2ZX 0.8562
1114 F3B 0.8558
1115 4XV 0.8546
1116 H33 0.8541
1117 VOH 0.8541
1118 SF9 0.8540
1119 AHB 0.8533
1120 R67 0.8532
1121 R9S 0.8520
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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