Receptor
PDB id Resolution Class Description Source Keywords
5alv 1.8 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
6TZ A:1551;
A:1550;
 Valid;
Valid;
 none;
Atoms found MORE than expected: % Diff = 2;
 ic50 = 43.48 uM
162.164 C9 H7 F N2 c1cc(...
SO4 A:1549;
A:1548;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AM1 2.15 Å EC: 3.3.2.10 LIGAND COMPLEX STRUCTURE OF SOLUBLE EPOXIDE HYDROLASE HOMO SAPIENS HYDROLASE
Ref.: SUCCESSFUL GENERATION OF STRUCTURAL INFORMATION FOR FRAGMENT-BASED DRUG DISCOVERY. DRUG DISCOV TODAY V. 20 1104 2015
Members (71)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3WKA ic50 = 29 uM S0G C10 H16 N4 O2 CN1C(=C(C(....
2 5ALW ic50 = 7.05 uM JQN C17 H15 N O2 S Cc1ccc(cc1....
3 5AIB ic50 = 160 uM KJU C8 H6 Cl N O2 c1cc2c(cc1....
4 3WKD ic50 = 171 uM S0K C15 H16 N2 O2 S c1ccc(c(c1....
5 5ALP ic50 < 0.086 uM QYD C17 H17 N3 O3 S c1ccc(cc1)....
6 5AK5 ic50 = 0.086 uM V2Z C12 H13 N3 O CCCC1=NC(=....
7 4Y2S ic50 = 52 uM 49P C10 H7 F3 N2 O c1cc(cc(c1....
8 5ALJ ic50 = 2.737 uM T5J C17 H15 F N2 O Cc1ccc(cc1....
9 5ALO ic50 = 0.738 uM A0J C20 H19 N3 O C[C@]1(c2c....
10 5AM3 ic50 = 0.005 uM AUB C24 H32 N2 O4 c1cc(ccc1C....
11 4Y2P ic50 = 2200 uM 3C5 C13 H14 N2 CNCc1cccc(....
12 3WK8 ic50 = 49 uM S0E C8 H5 F3 N2 S c1cc2c(cc1....
13 5ALI ic50 < 0.086 uM Q3B C27 H26 N8 O3 S COc1ccc(cc....
14 5AK3 ic50 = 8.49 uM XM0 C9 H11 N c1ccc2c(c1....
15 5AKJ ic50 < 1.37 uM 6N4 C9 H10 N2 O S c1ccc2c(c1....
16 5AIC ic50 = 49.6 uM TGX C9 H9 N O S Cc1ccc2c(c....
17 5ALV ic50 = 43.48 uM 6TZ C9 H7 F N2 c1cc(cc(c1....
18 3WK9 ic50 = 70 uM S0F C10 H9 Br N2 S c1cc(ccc1C....
19 5AKK ic50 = 99.3 uM 1P8 C8 H6 Br N O c1cc2c(cc1....
20 1VJ5 ic50 = 0.12 uM CIU C13 H17 I N2 O c1cc(ccc1N....
21 4Y2Q ic50 = 1200 uM 49N C10 H12 F3 N3 c1cc(c(nc1....
22 5ALY ic50 = 0.1845 uM B7H C15 H13 F N4 O Cc1c(n[nH]....
23 5ALH ic50 < 0.086 uM 4UA C29 H35 N3 O4 S Cc1ccc(cc1....
24 3I1Y ic50 = 7 nM 33N C21 H20 N2 O c1ccc(cc1)....
25 5FP0 ic50 = 0.017 uM SZC C19 H18 F3 N3 O2 S c1cc2c(c(c....
26 5AM5 ic50 = 1.82 uM 6NZ C14 H21 N O CCCC1=CC(=....
27 5ALX ic50 = 3.277 uM DUL C13 H13 N O S2 CCSc1cccc(....
28 5AIA ic50 = 6.268 uM KWB C13 H15 O3 c1cc(c(cc1....
29 5ALG ic50 = 0.03 uM R4N C25 H21 Cl N2 O4 S c1ccc2c(c1....
30 5AM2 ic50 = 9.685 uM KUF C10 H9 N O Cc1ccc2c(c....
31 4Y2Y ic50 = 9 uM 49Z C14 H16 F N S Cc1ccc(s1)....
32 5AKH ic50 = 0.256 uM 6NM C15 H10 F3 N3 c1cc(cc(c1....
33 5AKZ ic50 = 5.49 uM 6NX C8 H16 N2 O CNC(=O)NC1....
34 5ALT ic50 = 13.1 uM 9XZ C11 H10 N6 S Cn1nc(nn1)....
35 4Y2V ic50 = 91 uM 4A5 C8 H9 Br N2 O2 c1c(c(nn1C....
36 5AI8 ic50 = 125.6 uM K2T C8 H8 N2 S Cc1ccc2c(c....
37 5AI4 ic50 = 331.7 uM 4VY C8 H11 Br N2 O CN(CCO)c1c....
38 3I28 ic50 = 6 nM 34N C24 H21 F N2 O3 S CS(=O)(=O)....
39 5AKI ic50 = 0.754 uM 6NF C15 H20 N4 c1cnccc1c2....
40 5AK4 ic50 = 59.2 uM GVG C10 H10 N2 Cc1c(c[nH]....
41 5ALL ic50 = 2.678 uM II6 C9 H19 N O C[C@@H]1C[....
42 3WK6 ic50 = 6.3 uM S0B C12 H16 N2 S C[C@@H]1CN....
43 5AKX - 8NY C7 H5 I N2 c1cc2c(cc1....
44 5AI0 ic50 = 206.4 uM JF6 C8 H7 N3 O c1ccc(cc1)....
45 5ALN ic50 = 0.267 uM 5ZM C16 H14 F N O CC1(c2cc(c....
46 5ALZ ic50 = 0.006 uM XQ9 C17 H29 N3 O3 S CS(=O)(=O)....
47 5AKE ic50 = 0.015 uM 6N0 C18 H16 F2 N2 O3 S c1ccc2c(c1....
48 1ZD3 ic50 > 500 uM NC4 C11 H20 N2 O3 C1CCC(CC1)....
49 5AI9 ic50 = 0.244 uM K78 C20 H26 Br N O CC(C)(C)c1....
50 5ALK ic50 = 0.252 uM WMR C15 H22 N4 S CCCCc1c2c(....
51 4Y2T ic50 = 150 uM 49Q C16 H18 O2 c1ccc(cc1)....
52 5ALE ic50 = 1.132 uM ONR C9 H6 Cl N O2 c1cc(c(cc1....
53 5AM0 ic50 = 1.32 uM LWS C15 H15 F N2 O CC1(c2cc(c....
54 5AM4 ic50 = 0.113 uM MVJ C18 H23 N O2 c1cc2c(cc1....
55 4Y2J ic50 = 800 uM 49G C13 H17 N3 Cn1ccc(n1)....
56 4Y2X ic50 = 0.51 uM 4A0 C19 H27 N O c1ccc(c(c1....
57 5AM1 ic50 = 0.003 uM I5T C23 H24 N2 O3 c1ccc(cc1)....
58 5AK6 ic50 = 326.4 uM YPN C7 H8 Cl N O S c1cc(ncc1C....
59 5AI5 ic50 = 0.093 uM BSU C13 H12 N2 O c1ccc(cc1)....
60 3WK4 ic50 = 7.4 uM S0A C12 H16 N2 O C[C@H](C1C....
61 3WKC ic50 = 195 uM S0J C14 H19 N3 O S Cc1cc(c(n1....
62 5AKL ic50 < 0.086 uM 6N8 C20 H20 N2 O c1ccc(cc1)....
63 5ALD ic50 = 1.08 uM FCW C14 H17 N O c1cc2c(cc1....
64 5AKY - 6NJ C15 H14 N2 c1ccc(cc1)....
65 5ALU ic50 = 0.022 uM HD2 C24 H34 N4 O3 c1c(c(nc(n....
66 5ALF ic50 = 0.204 uM OE1 C19 H23 N3 O2 S CCCN(CCC)S....
67 3WKB ic50 = 61 uM S0I C15 H14 N2 O c1ccc(cc1)....
68 4Y2R - 49O C10 H12 N4 c1cc(c(nc1....
69 3WK7 ic50 = 127 uM S0D C11 H10 N4 Cn1cc(cn1)....
70 5ALM ic50 = 0.294 uM 7GM C16 H23 N O S C[C@]1(CCN....
71 5AI6 ic50 = 40.19 uM 4XH C9 H6 Br N c1cc2c(ccc....
70% Homology Family (71)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3WKA ic50 = 29 uM S0G C10 H16 N4 O2 CN1C(=C(C(....
2 5ALW ic50 = 7.05 uM JQN C17 H15 N O2 S Cc1ccc(cc1....
3 5AIB ic50 = 160 uM KJU C8 H6 Cl N O2 c1cc2c(cc1....
4 3WKD ic50 = 171 uM S0K C15 H16 N2 O2 S c1ccc(c(c1....
5 5ALP ic50 < 0.086 uM QYD C17 H17 N3 O3 S c1ccc(cc1)....
6 5AK5 ic50 = 0.086 uM V2Z C12 H13 N3 O CCCC1=NC(=....
7 4Y2S ic50 = 52 uM 49P C10 H7 F3 N2 O c1cc(cc(c1....
8 5ALJ ic50 = 2.737 uM T5J C17 H15 F N2 O Cc1ccc(cc1....
9 5ALO ic50 = 0.738 uM A0J C20 H19 N3 O C[C@]1(c2c....
10 5AM3 ic50 = 0.005 uM AUB C24 H32 N2 O4 c1cc(ccc1C....
11 4Y2P ic50 = 2200 uM 3C5 C13 H14 N2 CNCc1cccc(....
12 3WK8 ic50 = 49 uM S0E C8 H5 F3 N2 S c1cc2c(cc1....
13 5ALI ic50 < 0.086 uM Q3B C27 H26 N8 O3 S COc1ccc(cc....
14 5AK3 ic50 = 8.49 uM XM0 C9 H11 N c1ccc2c(c1....
15 5AKJ ic50 < 1.37 uM 6N4 C9 H10 N2 O S c1ccc2c(c1....
16 5AIC ic50 = 49.6 uM TGX C9 H9 N O S Cc1ccc2c(c....
17 5ALV ic50 = 43.48 uM 6TZ C9 H7 F N2 c1cc(cc(c1....
18 3WK9 ic50 = 70 uM S0F C10 H9 Br N2 S c1cc(ccc1C....
19 5AKK ic50 = 99.3 uM 1P8 C8 H6 Br N O c1cc2c(cc1....
20 1VJ5 ic50 = 0.12 uM CIU C13 H17 I N2 O c1cc(ccc1N....
21 4Y2Q ic50 = 1200 uM 49N C10 H12 F3 N3 c1cc(c(nc1....
22 5ALY ic50 = 0.1845 uM B7H C15 H13 F N4 O Cc1c(n[nH]....
23 5ALH ic50 < 0.086 uM 4UA C29 H35 N3 O4 S Cc1ccc(cc1....
24 3I1Y ic50 = 7 nM 33N C21 H20 N2 O c1ccc(cc1)....
25 5FP0 ic50 = 0.017 uM SZC C19 H18 F3 N3 O2 S c1cc2c(c(c....
26 5AM5 ic50 = 1.82 uM 6NZ C14 H21 N O CCCC1=CC(=....
27 5ALX ic50 = 3.277 uM DUL C13 H13 N O S2 CCSc1cccc(....
28 5AIA ic50 = 6.268 uM KWB C13 H15 O3 c1cc(c(cc1....
29 5ALG ic50 = 0.03 uM R4N C25 H21 Cl N2 O4 S c1ccc2c(c1....
30 5AM2 ic50 = 9.685 uM KUF C10 H9 N O Cc1ccc2c(c....
31 4Y2Y ic50 = 9 uM 49Z C14 H16 F N S Cc1ccc(s1)....
32 5AKH ic50 = 0.256 uM 6NM C15 H10 F3 N3 c1cc(cc(c1....
33 5AKZ ic50 = 5.49 uM 6NX C8 H16 N2 O CNC(=O)NC1....
34 5ALT ic50 = 13.1 uM 9XZ C11 H10 N6 S Cn1nc(nn1)....
35 4Y2V ic50 = 91 uM 4A5 C8 H9 Br N2 O2 c1c(c(nn1C....
36 5AI8 ic50 = 125.6 uM K2T C8 H8 N2 S Cc1ccc2c(c....
37 5AI4 ic50 = 331.7 uM 4VY C8 H11 Br N2 O CN(CCO)c1c....
38 3I28 ic50 = 6 nM 34N C24 H21 F N2 O3 S CS(=O)(=O)....
39 5AKI ic50 = 0.754 uM 6NF C15 H20 N4 c1cnccc1c2....
40 5AK4 ic50 = 59.2 uM GVG C10 H10 N2 Cc1c(c[nH]....
41 5ALL ic50 = 2.678 uM II6 C9 H19 N O C[C@@H]1C[....
42 3WK6 ic50 = 6.3 uM S0B C12 H16 N2 S C[C@@H]1CN....
43 5AKX - 8NY C7 H5 I N2 c1cc2c(cc1....
44 5AI0 ic50 = 206.4 uM JF6 C8 H7 N3 O c1ccc(cc1)....
45 5ALN ic50 = 0.267 uM 5ZM C16 H14 F N O CC1(c2cc(c....
46 5ALZ ic50 = 0.006 uM XQ9 C17 H29 N3 O3 S CS(=O)(=O)....
47 5AKE ic50 = 0.015 uM 6N0 C18 H16 F2 N2 O3 S c1ccc2c(c1....
48 1ZD3 ic50 > 500 uM NC4 C11 H20 N2 O3 C1CCC(CC1)....
49 5AI9 ic50 = 0.244 uM K78 C20 H26 Br N O CC(C)(C)c1....
50 5ALK ic50 = 0.252 uM WMR C15 H22 N4 S CCCCc1c2c(....
51 4Y2T ic50 = 150 uM 49Q C16 H18 O2 c1ccc(cc1)....
52 5ALE ic50 = 1.132 uM ONR C9 H6 Cl N O2 c1cc(c(cc1....
53 5AM0 ic50 = 1.32 uM LWS C15 H15 F N2 O CC1(c2cc(c....
54 5AM4 ic50 = 0.113 uM MVJ C18 H23 N O2 c1cc2c(cc1....
55 4Y2J ic50 = 800 uM 49G C13 H17 N3 Cn1ccc(n1)....
56 4Y2X ic50 = 0.51 uM 4A0 C19 H27 N O c1ccc(c(c1....
57 5AM1 ic50 = 0.003 uM I5T C23 H24 N2 O3 c1ccc(cc1)....
58 5AK6 ic50 = 326.4 uM YPN C7 H8 Cl N O S c1cc(ncc1C....
59 5AI5 ic50 = 0.093 uM BSU C13 H12 N2 O c1ccc(cc1)....
60 3WK4 ic50 = 7.4 uM S0A C12 H16 N2 O C[C@H](C1C....
61 3WKC ic50 = 195 uM S0J C14 H19 N3 O S Cc1cc(c(n1....
62 5AKL ic50 < 0.086 uM 6N8 C20 H20 N2 O c1ccc(cc1)....
63 5ALD ic50 = 1.08 uM FCW C14 H17 N O c1cc2c(cc1....
64 5AKY - 6NJ C15 H14 N2 c1ccc(cc1)....
65 5ALU ic50 = 0.022 uM HD2 C24 H34 N4 O3 c1c(c(nc(n....
66 5ALF ic50 = 0.204 uM OE1 C19 H23 N3 O2 S CCCN(CCC)S....
67 3WKB ic50 = 61 uM S0I C15 H14 N2 O c1ccc(cc1)....
68 4Y2R - 49O C10 H12 N4 c1cc(c(nc1....
69 3WK7 ic50 = 127 uM S0D C11 H10 N4 Cn1cc(cn1)....
70 5ALM ic50 = 0.294 uM 7GM C16 H23 N O S C[C@]1(CCN....
71 5AI6 ic50 = 40.19 uM 4XH C9 H6 Br N c1cc2c(ccc....
50% Homology Family (88)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3WKA ic50 = 29 uM S0G C10 H16 N4 O2 CN1C(=C(C(....
2 5ALW ic50 = 7.05 uM JQN C17 H15 N O2 S Cc1ccc(cc1....
3 5AIB ic50 = 160 uM KJU C8 H6 Cl N O2 c1cc2c(cc1....
4 3WKD ic50 = 171 uM S0K C15 H16 N2 O2 S c1ccc(c(c1....
5 5ALP ic50 < 0.086 uM QYD C17 H17 N3 O3 S c1ccc(cc1)....
6 5AK5 ic50 = 0.086 uM V2Z C12 H13 N3 O CCCC1=NC(=....
7 4Y2S ic50 = 52 uM 49P C10 H7 F3 N2 O c1cc(cc(c1....
8 5ALJ ic50 = 2.737 uM T5J C17 H15 F N2 O Cc1ccc(cc1....
9 5ALO ic50 = 0.738 uM A0J C20 H19 N3 O C[C@]1(c2c....
10 5AM3 ic50 = 0.005 uM AUB C24 H32 N2 O4 c1cc(ccc1C....
11 4Y2P ic50 = 2200 uM 3C5 C13 H14 N2 CNCc1cccc(....
12 3WK8 ic50 = 49 uM S0E C8 H5 F3 N2 S c1cc2c(cc1....
13 5ALI ic50 < 0.086 uM Q3B C27 H26 N8 O3 S COc1ccc(cc....
14 5AK3 ic50 = 8.49 uM XM0 C9 H11 N c1ccc2c(c1....
15 5AKJ ic50 < 1.37 uM 6N4 C9 H10 N2 O S c1ccc2c(c1....
16 5AIC ic50 = 49.6 uM TGX C9 H9 N O S Cc1ccc2c(c....
17 5ALV ic50 = 43.48 uM 6TZ C9 H7 F N2 c1cc(cc(c1....
18 3WK9 ic50 = 70 uM S0F C10 H9 Br N2 S c1cc(ccc1C....
19 5AKK ic50 = 99.3 uM 1P8 C8 H6 Br N O c1cc2c(cc1....
20 1VJ5 ic50 = 0.12 uM CIU C13 H17 I N2 O c1cc(ccc1N....
21 4Y2Q ic50 = 1200 uM 49N C10 H12 F3 N3 c1cc(c(nc1....
22 5ALY ic50 = 0.1845 uM B7H C15 H13 F N4 O Cc1c(n[nH]....
23 5ALH ic50 < 0.086 uM 4UA C29 H35 N3 O4 S Cc1ccc(cc1....
24 3I1Y ic50 = 7 nM 33N C21 H20 N2 O c1ccc(cc1)....
25 5FP0 ic50 = 0.017 uM SZC C19 H18 F3 N3 O2 S c1cc2c(c(c....
26 5AM5 ic50 = 1.82 uM 6NZ C14 H21 N O CCCC1=CC(=....
27 5ALX ic50 = 3.277 uM DUL C13 H13 N O S2 CCSc1cccc(....
28 5AIA ic50 = 6.268 uM KWB C13 H15 O3 c1cc(c(cc1....
29 5ALG ic50 = 0.03 uM R4N C25 H21 Cl N2 O4 S c1ccc2c(c1....
30 5AM2 ic50 = 9.685 uM KUF C10 H9 N O Cc1ccc2c(c....
31 4Y2Y ic50 = 9 uM 49Z C14 H16 F N S Cc1ccc(s1)....
32 5AKH ic50 = 0.256 uM 6NM C15 H10 F3 N3 c1cc(cc(c1....
33 5AKZ ic50 = 5.49 uM 6NX C8 H16 N2 O CNC(=O)NC1....
34 5ALT ic50 = 13.1 uM 9XZ C11 H10 N6 S Cn1nc(nn1)....
35 4Y2V ic50 = 91 uM 4A5 C8 H9 Br N2 O2 c1c(c(nn1C....
36 5AI8 ic50 = 125.6 uM K2T C8 H8 N2 S Cc1ccc2c(c....
37 5AI4 ic50 = 331.7 uM 4VY C8 H11 Br N2 O CN(CCO)c1c....
38 3I28 ic50 = 6 nM 34N C24 H21 F N2 O3 S CS(=O)(=O)....
39 5AKI ic50 = 0.754 uM 6NF C15 H20 N4 c1cnccc1c2....
40 5AK4 ic50 = 59.2 uM GVG C10 H10 N2 Cc1c(c[nH]....
41 5ALL ic50 = 2.678 uM II6 C9 H19 N O C[C@@H]1C[....
42 3WK6 ic50 = 6.3 uM S0B C12 H16 N2 S C[C@@H]1CN....
43 5AKX - 8NY C7 H5 I N2 c1cc2c(cc1....
44 5AI0 ic50 = 206.4 uM JF6 C8 H7 N3 O c1ccc(cc1)....
45 5ALN ic50 = 0.267 uM 5ZM C16 H14 F N O CC1(c2cc(c....
46 5ALZ ic50 = 0.006 uM XQ9 C17 H29 N3 O3 S CS(=O)(=O)....
47 5AKE ic50 = 0.015 uM 6N0 C18 H16 F2 N2 O3 S c1ccc2c(c1....
48 1ZD3 ic50 > 500 uM NC4 C11 H20 N2 O3 C1CCC(CC1)....
49 5AI9 ic50 = 0.244 uM K78 C20 H26 Br N O CC(C)(C)c1....
50 5ALK ic50 = 0.252 uM WMR C15 H22 N4 S CCCCc1c2c(....
51 4Y2T ic50 = 150 uM 49Q C16 H18 O2 c1ccc(cc1)....
52 5ALE ic50 = 1.132 uM ONR C9 H6 Cl N O2 c1cc(c(cc1....
53 5AM0 ic50 = 1.32 uM LWS C15 H15 F N2 O CC1(c2cc(c....
54 5AM4 ic50 = 0.113 uM MVJ C18 H23 N O2 c1cc2c(cc1....
55 4Y2J ic50 = 800 uM 49G C13 H17 N3 Cn1ccc(n1)....
56 4Y2X ic50 = 0.51 uM 4A0 C19 H27 N O c1ccc(c(c1....
57 5AM1 ic50 = 0.003 uM I5T C23 H24 N2 O3 c1ccc(cc1)....
58 5AK6 ic50 = 326.4 uM YPN C7 H8 Cl N O S c1cc(ncc1C....
59 5AI5 ic50 = 0.093 uM BSU C13 H12 N2 O c1ccc(cc1)....
60 3WK4 ic50 = 7.4 uM S0A C12 H16 N2 O C[C@H](C1C....
61 3WKC ic50 = 195 uM S0J C14 H19 N3 O S Cc1cc(c(n1....
62 5AKL ic50 < 0.086 uM 6N8 C20 H20 N2 O c1ccc(cc1)....
63 5ALD ic50 = 1.08 uM FCW C14 H17 N O c1cc2c(cc1....
64 5AKY - 6NJ C15 H14 N2 c1ccc(cc1)....
65 5ALU ic50 = 0.022 uM HD2 C24 H34 N4 O3 c1c(c(nc(n....
66 5ALF ic50 = 0.204 uM OE1 C19 H23 N3 O2 S CCCN(CCC)S....
67 3WKB ic50 = 61 uM S0I C15 H14 N2 O c1ccc(cc1)....
68 4Y2R - 49O C10 H12 N4 c1cc(c(nc1....
69 3WK7 ic50 = 127 uM S0D C11 H10 N4 Cn1cc(cn1)....
70 5ALM ic50 = 0.294 uM 7GM C16 H23 N O S C[C@]1(CCN....
71 5AI6 ic50 = 40.19 uM 4XH C9 H6 Br N c1cc2c(ccc....
72 3ANT ic50 = 8.5 nM S82 C20 H26 N4 O2 CC(C)c1nc(....
73 6YL4 ic50 = 0.007 uM OWW C28 H26 F3 N3 O4 C[C@H](C#C....
74 4JNC ic50 = 3 nM 1LF C19 H23 F3 N6 O Cc1nc(nc(n....
75 6I5G Ki = 8.56 uM PTG C20 H28 O3 CCCCCC=CC=....
76 6FR2 ic50 = 4.99 nM E3N C21 H30 F3 N3 O5 S CC(C)S(=O)....
77 4X6X ic50 = 2.3 nM S74 C30 H32 N2 O4 c1ccc(cc1)....
78 4X6Y - S94 C21 H24 N2 O2 c1ccc(cc1)....
79 3ANS ic50 = 565 nM S38 C17 H14 N2 O c1ccc(cc1)....
80 6HGV ic50 = 2.8 uM G3Q C20 H33 N3 O3 CC(C)(C)NC....
81 6HGX ic50 = 0.077 uM G3T C22 H35 N3 O3 CC(C)(C)N1....
82 4O08 - PO6 C8 H9 N O2 c1ccc(cc1)....
83 2CJP Ki = 0.8 mM VPR C8 H17 N O CCCC(CCC)C....
84 6N3K ic50 = 29 nM K9V C23 H28 F2 N2 O2 c1ccc(cc1)....
85 6N3Z ic50 = 259.3 nM KC4 C22 H24 F3 N3 O4 CNC(=O)c1c....
86 6N5H ic50 = 357.9 nM AUB C24 H32 N2 O4 c1cc(ccc1C....
87 6N5F ic50 = 138.8 nM KJ1 C17 H34 N2 O2 CCCCCCCCC(....
88 5NG7 - SER C3 H7 N O3 C([C@@H](C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 6TZ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 6TZ 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 6TZ; Similar ligands found: 995
No: Ligand Similarity coefficient
1 L5V 0.9997
2 HQJ 0.9987
3 R20 0.9971
4 XDK 0.9874
5 PIM 0.9770
6 BNL 0.9757
7 4V2 0.9731
8 PIY 0.9725
9 97T 0.9694
10 0BP 0.9662
11 MPV 0.9656
12 52C 0.9652
13 ONR 0.9646
14 CH9 0.9637
15 0F9 0.9629
16 A29 0.9619
17 L22 0.9611
18 GZ2 0.9599
19 N3W 0.9599
20 J9T 0.9594
21 BPY 0.9592
22 BZE 0.9586
23 HX4 0.9576
24 069 0.9564
25 1A7 0.9560
26 2HC 0.9556
27 2F6 0.9550
28 BZ2 0.9547
29 IWT 0.9543
30 BP7 0.9542
31 JG8 0.9532
32 45L 0.9523
33 2HU 0.9513
34 0W1 0.9512
35 2ZM 0.9510
36 M3E 0.9499
37 9CA 0.9498
38 ESP 0.9498
39 MSR 0.9497
40 0HN 0.9497
41 9FL 0.9494
42 6NT 0.9493
43 ICB 0.9492
44 1IT 0.9492
45 X48 0.9491
46 5NI 0.9486
47 TZF 0.9482
48 6NI 0.9476
49 J9Q 0.9475
50 SNU 0.9474
51 1F1 0.9472
52 3A9 0.9472
53 JAW 0.9463
54 ABI 0.9455
55 4ZA 0.9448
56 0HO 0.9447
57 PHU 0.9446
58 ESX 0.9443
59 4WL 0.9440
60 K34 0.9435
61 CPZ 0.9434
62 4P5 0.9433
63 C1M 0.9426
64 F4E 0.9426
65 6RQ 0.9419
66 M45 0.9417
67 AOT 0.9412
68 HA5 0.9411
69 M4T 0.9410
70 7MU 0.9406
71 G3E 0.9403
72 D48 0.9402
73 E1T 0.9400
74 363 0.9399
75 0JD 0.9395
76 J5I 0.9394
77 P80 0.9392
78 RUY 0.9392
79 NCT 0.9390
80 AY4 0.9390
81 SE2 0.9390
82 3PF 0.9388
83 CFI 0.9387
84 2O6 0.9386
85 JDN 0.9385
86 4A3 0.9384
87 N2Z 0.9383
88 M3H 0.9382
89 FK8 0.9377
90 AKG 0.9374
91 A5E 0.9371
92 GVG 0.9369
93 INO 0.9368
94 SLS 0.9365
95 TYL 0.9362
96 2AL 0.9361
97 R2P 0.9360
98 KTW 0.9357
99 OGA 0.9357
100 HIS 0.9351
101 D3G 0.9350
102 EXD 0.9350
103 LNR 0.9347
104 CHB 0.9346
105 4XF 0.9346
106 9FE 0.9345
107 TZM 0.9345
108 173 0.9343
109 ALE 0.9343
110 36Y 0.9342
111 TCA 0.9341
112 46P 0.9340
113 ESI 0.9328
114 2HO 0.9328
115 NNO 0.9326
116 DHB 0.9325
117 DE5 0.9322
118 15N 0.9320
119 FHB 0.9320
120 J9N 0.9316
121 ISZ 0.9316
122 GAB 0.9315
123 VXX 0.9315
124 36E 0.9313
125 HJH 0.9313
126 ZME 0.9312
127 HIC 0.9311
128 PPY 0.9311
129 IHB 0.9307
130 795 0.9307
131 9TW 0.9305
132 92G 0.9304
133 8NX 0.9303
134 4NC 0.9298
135 XIZ 0.9298
136 8WO 0.9297
137 CWJ 0.9295
138 AN3 0.9295
139 MYJ 0.9294
140 4LW 0.9293
141 P9P 0.9292
142 JRB 0.9290
143 PAC 0.9290
144 HDH 0.9289
145 NIZ 0.9289
146 2BG 0.9289
147 XIY 0.9289
148 SAF 0.9288
149 4BL 0.9285
150 94W 0.9284
151 92P 0.9283
152 12T 0.9281
153 KTJ 0.9278
154 HHI 0.9278
155 6QF 0.9277
156 X0V 0.9277
157 1M2 0.9274
158 MPK 0.9273
159 6FZ 0.9272
160 KTA 0.9271
161 PO6 0.9271
162 92K 0.9268
163 1Z6 0.9267
164 QSB 0.9267
165 ES2 0.9265
166 3NY 0.9264
167 4FH 0.9261
168 X11 0.9261
169 B3U 0.9260
170 XX2 0.9256
171 344 0.9255
172 93K 0.9253
173 PJW 0.9251
174 3HM 0.9250
175 ET2 0.9250
176 TT4 0.9250
177 FBB 0.9249
178 HCI 0.9248
179 ANC 0.9247
180 URO 0.9246
181 6J9 0.9245
182 4BY 0.9245
183 C2Y 0.9244
184 I1E 0.9244
185 61M 0.9244
186 7VP 0.9243
187 7O4 0.9242
188 KJU 0.9241
189 SHI 0.9239
190 JLZ 0.9239
191 DNF 0.9237
192 1WC 0.9236
193 F31 0.9235
194 3HB 0.9234
195 JF6 0.9233
196 1L5 0.9229
197 K2T 0.9222
198 5F5 0.9221
199 BEA 0.9221
200 2LY 0.9217
201 4PN 0.9216
202 VNL 0.9215
203 BZ3 0.9215
204 LEL 0.9212
205 JA8 0.9212
206 5OB 0.9210
207 N8Y 0.9209
208 3AB 0.9209
209 C82 0.9208
210 1P8 0.9207
211 463 0.9204
212 TSR 0.9203
213 GF4 0.9202
214 OMD 0.9201
215 3ID 0.9200
216 78Y 0.9198
217 8OZ 0.9198
218 CK2 0.9197
219 3ZB 0.9196
220 GO2 0.9195
221 PZI 0.9190
222 HNK 0.9189
223 5XC 0.9188
224 EYV 0.9187
225 EWG 0.9185
226 OVV 0.9185
227 0N7 0.9184
228 CXH 0.9182
229 M4E 0.9181
230 15E 0.9179
231 9ZE 0.9179
232 XCG 0.9178
233 VGD 0.9176
234 2HG 0.9176
235 4SX 0.9176
236 DGN 0.9174
237 4MU 0.9173
238 M5H 0.9172
239 3OC 0.9172
240 E35 0.9171
241 UNJ 0.9171
242 AX3 0.9170
243 DHY 0.9169
244 L99 0.9169
245 X0U 0.9168
246 GDE 0.9167
247 JP2 0.9167
248 M6H 0.9165
249 IFP 0.9164
250 HHH 0.9161
251 Z5P 0.9158
252 B4O 0.9157
253 4JQ 0.9157
254 DMD 0.9154
255 PEY 0.9151
256 9UL 0.9148
257 DIN 0.9147
258 5GU 0.9146
259 SYV 0.9146
260 N2I 0.9146
261 8WT 0.9145
262 GJZ 0.9145
263 3HP 0.9144
264 PHE 0.9144
265 EKZ 0.9144
266 BIK 0.9143
267 MAJ 0.9142
268 CLW 0.9142
269 AJY 0.9139
270 8HC 0.9138
271 BHO 0.9138
272 4LV 0.9133
273 SKM 0.9133
274 36R 0.9132
275 HC4 0.9130
276 5F8 0.9129
277 GOJ 0.9129
278 BRT 0.9128
279 2IT 0.9128
280 DGL 0.9128
281 0FK 0.9127
282 NF3 0.9126
283 PRZ 0.9125
284 JB5 0.9125
285 J6W 0.9125
286 S2P 0.9124
287 ES5 0.9121
288 2FQ 0.9119
289 OVM 0.9118
290 COU 0.9118
291 NMJ 0.9118
292 EA1 0.9116
293 03V 0.9116
294 7WR 0.9114
295 TMG 0.9114
296 1AL 0.9114
297 4RU 0.9114
298 IOS 0.9113
299 5HN 0.9112
300 MQN 0.9112
301 AZ9 0.9110
302 FBM 0.9110
303 3MB 0.9110
304 ASC 0.9110
305 HQD 0.9109
306 D2G 0.9109
307 8GC 0.9108
308 9ON 0.9108
309 HL4 0.9106
310 60L 0.9105
311 ICO 0.9102
312 ZYR 0.9101
313 8ZE 0.9100
314 0LO 0.9098
315 5LA 0.9098
316 HPS 0.9097
317 4CS 0.9095
318 1BN 0.9095
319 A5H 0.9094
320 3C4 0.9093
321 URC 0.9093
322 CK1 0.9093
323 5FL 0.9092
324 FF2 0.9091
325 DHS 0.9091
326 XQI 0.9090
327 4FS 0.9090
328 LJ3 0.9089
329 6KT 0.9089
330 PKU 0.9089
331 S2G 0.9088
332 JB8 0.9087
333 3BZ 0.9086
334 GLU 0.9086
335 3C5 0.9085
336 4ME 0.9085
337 8NB 0.9085
338 TPA 0.9084
339 DHK 0.9084
340 WCE 0.9083
341 GLN 0.9082
342 A9P 0.9080
343 FGZ 0.9080
344 EN1 0.9080
345 8XL 0.9080
346 OCH 0.9079
347 A7W 0.9079
348 PH3 0.9079
349 GJP 0.9077
350 FUD 0.9076
351 VM1 0.9076
352 51R 0.9076
353 0NX 0.9075
354 OK7 0.9075
355 OW4 0.9074
356 3NT 0.9071
357 L13 0.9070
358 5QY 0.9070
359 QSH 0.9070
360 QUS 0.9069
361 2AQ 0.9068
362 268 0.9068
363 4NB 0.9068
364 E7S 0.9067
365 1HN 0.9066
366 SSC 0.9065
367 AVA 0.9065
368 YPN 0.9063
369 ANN 0.9063
370 AX7 0.9061
371 DHI 0.9059
372 MXD 0.9058
373 5RN 0.9058
374 PD2 0.9058
375 AJV 0.9057
376 TIH 0.9054
377 0TU 0.9051
378 7Q1 0.9050
379 ORO 0.9050
380 428 0.9050
381 ABV 0.9049
382 3QV 0.9049
383 F9Y 0.9047
384 IAC 0.9046
385 4FF 0.9045
386 CXP 0.9044
387 3AL 0.9042
388 URS 0.9042
389 GWM 0.9041
390 C53 0.9037
391 6DP 0.9036
392 GNM 0.9035
393 EVF 0.9034
394 H4E 0.9034
395 GGL 0.9033
396 OTR 0.9033
397 FHC 0.9030
398 FDR 0.9029
399 MRW 0.9029
400 DRG 0.9027
401 DHC 0.9025
402 2HQ 0.9023
403 1XA 0.9023
404 HFA 0.9020
405 5RO 0.9020
406 PRA 0.9019
407 34D 0.9019
408 KDG 0.9018
409 5TY 0.9018
410 YTX 0.9018
411 5VM 0.9016
412 39O 0.9015
413 FBW 0.9015
414 GVY 0.9014
415 H42 0.9014
416 F9P 0.9014
417 TYE 0.9013
418 FA1 0.9011
419 SOR 0.9011
420 3YP 0.9011
421 XAZ 0.9010
422 2FT 0.9010
423 SOV 0.9010
424 XQ0 0.9010
425 DI6 0.9009
426 PNZ 0.9009
427 DPN 0.9006
428 P7Y 0.9006
429 HNL 0.9005
430 X0W 0.9005
431 MUA 0.9003
432 TYR 0.9002
433 HXY 0.9001
434 TGX 0.9000
435 30G 0.9000
436 BNF 0.8998
437 QX4 0.8997
438 PHB 0.8996
439 B40 0.8995
440 263 0.8994
441 4TU 0.8993
442 LQ2 0.8991
443 YZM 0.8991
444 F4K 0.8990
445 LSQ 0.8988
446 UN1 0.8987
447 LDP 0.8986
448 FA0 0.8985
449 2MI 0.8984
450 ANF 0.8983
451 DOB 0.8981
452 7BC 0.8981
453 5TZ 0.8980
454 R9Y 0.8979
455 GLO 0.8978
456 3VX 0.8978
457 M3P 0.8978
458 D1X 0.8977
459 MNP 0.8976
460 QMP 0.8976
461 QWN 0.8975
462 N91 0.8975
463 KYA 0.8975
464 X6P 0.8974
465 RAT 0.8974
466 PSJ 0.8974
467 DHR 0.8974
468 5XB 0.8973
469 MEQ 0.8973
470 TIU 0.8973
471 B85 0.8972
472 BHA 0.8971
473 NYL 0.8971
474 M2K 0.8969
475 SKF 0.8968
476 DQU 0.8967
477 AVI 0.8966
478 TSS 0.8965
479 F2W 0.8961
480 5JQ 0.8961
481 AA 0.8961
482 PEA 0.8959
483 86J 0.8958
484 IV2 0.8956
485 5NU 0.8955
486 QY9 0.8955
487 FAN 0.8954
488 OVP 0.8954
489 ODK 0.8954
490 C9E 0.8953
491 8G0 0.8953
492 1X4 0.8952
493 BPU 0.8951
494 E5X 0.8951
495 4M0 0.8949
496 5CU 0.8948
497 0FO 0.8948
498 8TX 0.8947
499 PAB 0.8946
500 HF2 0.8945
501 53C 0.8944
502 NPO 0.8944
503 HNH 0.8944
504 6FB 0.8944
505 HBO 0.8944
506 4HC 0.8944
507 OTW 0.8943
508 UFV 0.8943
509 G14 0.8943
510 4YO 0.8943
511 NFA 0.8943
512 RKV 0.8943
513 DIR 0.8941
514 3PG 0.8941
515 56D 0.8940
516 8U3 0.8940
517 QXW 0.8940
518 4JT 0.8940
519 FEH 0.8939
520 K7M 0.8939
521 3QM 0.8938
522 S60 0.8936
523 BGU 0.8935
524 JFJ 0.8933
525 7OD 0.8932
526 NDH 0.8930
527 HDL 0.8930
528 1Y6 0.8930
529 3VW 0.8930
530 V1T 0.8928
531 3HG 0.8925
532 75K 0.8925
533 AJ2 0.8923
534 PDC 0.8923
535 CFA 0.8920
536 ENO 0.8920
537 P72 0.8920
538 M6Z 0.8919
539 L03 0.8917
540 GZL 0.8917
541 270 0.8916
542 0XT 0.8916
543 F69 0.8915
544 3HA 0.8914
545 ODO 0.8914
546 BEZ 0.8913
547 F12 0.8913
548 SV4 0.8912
549 492 0.8912
550 HSO 0.8911
551 KUF 0.8910
552 CXF 0.8909
553 JR2 0.8908
554 W29 0.8908
555 4AA 0.8907
556 EV0 0.8907
557 5GT 0.8906
558 BQ2 0.8906
559 SNO 0.8905
560 4MA 0.8904
561 1KP 0.8904
562 XCZ 0.8904
563 4XV 0.8904
564 B55 0.8904
565 R1P 0.8904
566 PRO GLY 0.8903
567 SQV 0.8903
568 MIL 0.8901
569 DOR 0.8901
570 H7Y 0.8901
571 8GL 0.8900
572 MVN 0.8900
573 6XI 0.8900
574 M6N 0.8900
575 OXC 0.8900
576 C0H 0.8899
577 DBH 0.8898
578 HQT 0.8898
579 7I2 0.8898
580 SHA 0.8896
581 SMN 0.8896
582 AMQ 0.8894
583 TAG 0.8894
584 YRL 0.8892
585 12Q 0.8890
586 BTY 0.8890
587 258 0.8890
588 CWS 0.8890
589 U7E 0.8890
590 AQO 0.8889
591 MLT 0.8889
592 LFC 0.8888
593 68A 0.8888
594 QIV 0.8888
595 1QP 0.8888
596 2D2 0.8887
597 MAH 0.8885
598 AL0 0.8884
599 KT7 0.8884
600 LL1 0.8883
601 DZA 0.8883
602 2AK 0.8882
603 PBZ 0.8882
604 DA4 0.8882
605 44W 0.8881
606 2QC 0.8881
607 8W9 0.8881
608 4NM 0.8878
609 RNO 0.8878
610 AMR 0.8877
611 ALA ALA 0.8876
612 DDU 0.8876
613 RMN 0.8875
614 N9J 0.8875
615 YIE 0.8874
616 209 0.8874
617 826 0.8873
618 PBA 0.8873
619 PUE 0.8873
620 49O 0.8870
621 S0E 0.8870
622 DEW 0.8870
623 HL5 0.8870
624 OOG 0.8870
625 GTQ 0.8869
626 M5K 0.8869
627 HBD 0.8868
628 SQ4 0.8867
629 KMH 0.8866
630 4HB 0.8866
631 AMS 0.8865
632 FTV 0.8865
633 6HO 0.8864
634 OW7 0.8862
635 5JL 0.8862
636 42J 0.8862
637 3J8 0.8860
638 8CM 0.8860
639 P92 0.8858
640 E7Z 0.8857
641 GCO 0.8857
642 4XS 0.8857
643 NCA 0.8855
644 SD4 0.8855
645 MS9 0.8854
646 2FY 0.8853
647 CIT 0.8853
648 AEH 0.8852
649 717 0.8852
650 ASP 0.8850
651 3Y7 0.8850
652 AC6 0.8850
653 SRO 0.8850
654 FER 0.8850
655 I3A 0.8849
656 TRP 0.8849
657 3M0 0.8848
658 XHP 0.8847
659 MMS 0.8847
660 ITE 0.8845
661 4Z4 0.8844
662 CWM 0.8841
663 JCZ 0.8841
664 GUA 0.8841
665 152 0.8841
666 FP1 0.8840
667 GRO 0.8840
668 3VQ 0.8839
669 TWO 0.8839
670 I3E 0.8838
671 Q02 0.8837
672 SW7 0.8837
673 AZ8 0.8837
674 2FX 0.8836
675 9PL 0.8836
676 XRG 0.8836
677 2BX 0.8835
678 AEF 0.8835
679 6ME 0.8834
680 0P6 0.8833
681 NVU 0.8832
682 P81 0.8831
683 2D0 0.8831
684 RJY 0.8831
685 SN4 0.8830
686 DAL DAL 0.8830
687 9RW 0.8830
688 FQX 0.8829
689 1P7 0.8829
690 SQ7 0.8829
691 SYC 0.8829
692 DAH 0.8828
693 AEG 0.8827
694 THA 0.8826
695 LT2 0.8826
696 N7I 0.8824
697 BEN 0.8824
698 PQK 0.8823
699 P9E 0.8823
700 9AP 0.8822
701 9R5 0.8820
702 3FH 0.8820
703 MR1 0.8819
704 KKN 0.8819
705 9TZ 0.8819
706 Q88 0.8819
707 AUV 0.8817
708 7W1 0.8815
709 QIC 0.8815
710 XXG 0.8814
711 23J 0.8813
712 BY5 0.8812
713 X1R 0.8812
714 FE DB1 0.8812
715 FCR 0.8812
716 LDR 0.8810
717 27B 0.8809
718 4FA 0.8809
719 3F0 0.8808
720 HGA 0.8807
721 V2Z 0.8806
722 BZJ 0.8805
723 55D 0.8804
724 M1Z 0.8804
725 MEW 0.8803
726 XRS 0.8803
727 STT 0.8803
728 FCD 0.8802
729 LTL 0.8801
730 OAA 0.8800
731 V55 0.8800
732 9YT 0.8800
733 XM0 0.8798
734 6R8 0.8797
735 ES0 0.8796
736 A13 0.8796
737 PFF 0.8793
738 50C 0.8792
739 K5W 0.8792
740 GLY GLY 0.8790
741 5B1 0.8790
742 LYS 0.8790
743 HSX 0.8789
744 KYN 0.8788
745 LMR 0.8788
746 DE3 0.8788
747 DTY 0.8788
748 AMH 0.8788
749 G3H 0.8787
750 4AV 0.8785
751 A3M 0.8783
752 NAG 0.8783
753 G12 0.8783
754 MJ2 0.8782
755 5M0 0.8782
756 JAH 0.8782
757 RNT 0.8782
758 5RG 0.8781
759 SG2 0.8780
760 AW5 0.8779
761 OQC 0.8779
762 6HX 0.8778
763 F0J 0.8778
764 DRL 0.8778
765 APS 0.8778
766 APG 0.8777
767 14O 0.8776
768 HG3 0.8776
769 K48 0.8776
770 4I8 0.8775
771 5H1 0.8773
772 2CZ 0.8772
773 F60 0.8771
774 SEP 0.8771
775 MQB 0.8769
776 I4B 0.8769
777 ES7 0.8769
778 SWX 0.8769
779 7N0 0.8769
780 CTL 0.8768
781 6AI 0.8767
782 WVV 0.8765
783 9RH 0.8763
784 NDG 0.8762
785 D1G 0.8759
786 DNA 0.8759
787 5WV 0.8758
788 S7J 0.8755
789 RSO 0.8755
790 36M 0.8753
791 7MX 0.8753
792 FLC 0.8753
793 13P 0.8752
794 PGH 0.8752
795 GV9 0.8752
796 4BF 0.8751
797 174 0.8751
798 NIO 0.8751
799 MOK 0.8750
800 WOE 0.8750
801 505 0.8749
802 A9O 0.8748
803 FBU 0.8745
804 E0O 0.8745
805 RA7 0.8744
806 DLT 0.8744
807 KMY 0.8743
808 M0Q 0.8743
809 XI7 0.8743
810 EOU 0.8741
811 E3X 0.8740
812 TSU 0.8740
813 OKG 0.8739
814 TB8 0.8739
815 B1J 0.8737
816 FBJ 0.8737
817 Y3L 0.8736
818 H5B 0.8735
819 6MW 0.8735
820 Q4G 0.8734
821 PBC 0.8734
822 B62 0.8732
823 TU0 0.8732
824 MWP 0.8731
825 DNC 0.8731
826 33S 0.8731
827 5MB 0.8730
828 BAM 0.8730
829 KF5 0.8730
830 293 0.8728
831 ORN 0.8728
832 FWD 0.8728
833 CKA 0.8728
834 APZ 0.8728
835 ROI 0.8728
836 FBS 0.8724
837 HQ9 0.8724
838 AOS 0.8723
839 PSE 0.8721
840 Z82 0.8720
841 261 0.8720
842 EUG 0.8720
843 LFQ 0.8720
844 4HM 0.8720
845 CSN 0.8719
846 ABF 0.8718
847 XRX 0.8715
848 6OT 0.8714
849 HRM 0.8713
850 0SY 0.8713
851 CIY 0.8713
852 PMF 0.8712
853 KOJ 0.8710
854 42C 0.8710
855 A1Y 0.8709
856 54G 0.8709
857 DPT 0.8706
858 DBX 0.8705
859 RD4 0.8705
860 5MK 0.8704
861 ATX 0.8703
862 GP9 0.8703
863 2UZ 0.8703
864 KBB 0.8702
865 5LD 0.8702
866 EUE 0.8700
867 SVD 0.8696
868 0FR 0.8696
869 G3P 0.8696
870 M78 0.8695
871 TOF 0.8695
872 UFO 0.8695
873 ISN 0.8693
874 HHA 0.8693
875 DS0 0.8693
876 CLU 0.8693
877 PBN 0.8691
878 B2Y 0.8690
879 14W 0.8690
880 OA1 0.8687
881 AC0 0.8687
882 NTN 0.8687
883 SSB 0.8686
884 6PC 0.8686
885 6VD 0.8686
886 535 0.8685
887 BRH 0.8684
888 TLM 0.8683
889 RP3 0.8680
890 2GQ 0.8678
891 SAN 0.8673
892 2JK 0.8673
893 549 0.8671
894 4G2 0.8670
895 4J8 0.8668
896 UNU 0.8668
897 8WZ 0.8667
898 2PG 0.8667
899 PEP 0.8666
900 BP3 0.8666
901 AAN 0.8663
902 6ZX 0.8662
903 4KL 0.8662
904 0VT 0.8662
905 44V 0.8660
906 BPN 0.8659
907 MXN 0.8659
908 AZM 0.8653
909 AAS 0.8653
910 HHR 0.8651
911 1VK 0.8651
912 PH2 0.8651
913 LYL 0.8649
914 I2E 0.8648
915 14J 0.8646
916 JKE 0.8646
917 VGL 0.8646
918 FUM 0.8645
919 EMZ 0.8639
920 BVA 0.8639
921 5RP 0.8638
922 TOH 0.8637
923 XYL 0.8637
924 DXP 0.8637
925 41K 0.8634
926 PPT 0.8631
927 M6W 0.8630
928 CTS 0.8630
929 DTR 0.8630
930 XFE 0.8629
931 SIN 0.8629
932 HJ7 0.8625
933 259 0.8624
934 IOP 0.8623
935 GZ3 0.8621
936 B2J 0.8620
937 DX3 0.8620
938 GOE 0.8619
939 Q6T 0.8619
940 80G 0.8617
941 9BF 0.8617
942 PMB 0.8616
943 MZM 0.8616
944 6CS 0.8616
945 BTM 0.8615
946 GGB 0.8615
947 NLA 0.8613
948 5DL 0.8612
949 TTL 0.8611
950 4BZ 0.8610
951 5OO 0.8610
952 977 0.8610
953 TZL 0.8610
954 4NZ 0.8609
955 AKH 0.8607
956 PAU 0.8606
957 5WY 0.8606
958 1GP 0.8603
959 NBG 0.8601
960 PJL 0.8601
961 7ME 0.8601
962 Q06 0.8600
963 K80 0.8599
964 4JC 0.8599
965 3VS 0.8597
966 HLD 0.8594
967 1DV 0.8593
968 GJK 0.8592
969 0GZ 0.8592
970 BCK 0.8591
971 NPA 0.8588
972 S7S 0.8580
973 22L 0.8580
974 ARG 0.8579
975 FOT 0.8578
976 TJM 0.8578
977 OCZ 0.8577
978 FF3 0.8573
979 CTV 0.8573
980 3MF 0.8569
981 3IT 0.8568
982 IJZ 0.8568
983 KWB 0.8566
984 3SL 0.8565
985 H70 0.8565
986 DCZ 0.8561
987 LAO 0.8561
988 DHM 0.8560
989 CNI 0.8559
990 4A5 0.8557
991 O45 0.8547
992 OKM 0.8540
993 BNS 0.8526
994 IF7 0.8514
995 THM 0.8506
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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