Receptor
PDB id Resolution Class Description Source Keywords
1XLZ 2.06 Å EC: 3.1.4.17 CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B IN COMPLEX WI FILAMINAST HOMO SAPIENS PDE4B FILAMINAST HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE ACTIVITY OF DRUGS THAT INH PHOSPHODIESTERASES. STRUCTURE V. 12 2233 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FIL A:1003;
B:1003;
Valid;
Valid;
none;
none;
ic50 = 0.96 uM
292.33 C15 H20 N2 O4 C/C(=...
MG A:1002;
B:1002;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
ZN A:1001;
B:1001;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GWT 1.75 Å EC: 3.1.4.17 CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 4B2B IN COMPLEX WITH A QUINOLINE INHIBITOR HOMO SAPIENS PDE PHOSPHODIESTERASE CAMP HYDROLASE
Ref.: QUINOLINES AS A NOVEL STRUCTURAL CLASS OF POTENT AND SELECTIVE PDE4 INHIBITORS. OPTIMISATION FOR INHALED ADMINISTRATION. BIOORG.MED.CHEM.LETT. V. 19 5261 2009
Members (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3GWT ic50 = 7.94 pM 066 C27 H26 N4 O5 S Cc1cc(cc2c....
2 3WD9 ic50 = 8.3 nM QPC C24 H27 N5 O2 CC(C)(C)CN....
3 4KP6 ic50 = 0.87 nM 1S1 C12 H17 N9 CCC(CC)(C#....
4 4NW7 ic50 = 237 nM 2O5 C20 H17 Cl N4 O2 c1cc(cc(c1....
5 3FRG ic50 = 4 nM SK4 C18 H17 N3 O4 S COc1cccc(c....
6 1RO9 - 8BR C10 H13 Br N5 O7 P c1nc(c2c(n....
7 1XOT ic50 = 3.8 uM VDN C23 H32 N6 O4 S CCCc1nc(c2....
8 1XLX ic50 = 0.025 uM CIO C20 H25 N O4 COc1ccc(cc....
9 3O57 ic50 = 79.4 pM ZG2 C29 H34 N6 O3 CCn1c2c(cn....
10 3HMV - HBT C17 H17 N3 O4 S C[C@H]1CCc....
11 3O56 ic50 = 794 pM ZG1 C21 H27 N7 O3 CCn1c2c(cn....
12 1XLZ ic50 = 0.96 uM FIL C15 H20 N2 O4 C/C(=NOC(=....
13 1XN0 ic50 = 0.57 uM ROL C16 H21 N O3 COc1ccc(cc....
14 1TB5 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
15 3D3P ic50 = 3.1 nM 20A C21 H25 N5 O2 CCn1c2c(cn....
16 3W5E ic50 = 11 nM NVW C25 H28 N4 O3 S CC(C)(C)NC....
17 4MYQ ic50 = 32 nM 19T C19 H18 Cl N3 O2 S CCc1c(nc(n....
18 2QYL ic50 = 0.65 uM NPV C21 H13 N3 O4 c1cc(cc(c1....
19 1XOS ic50 = 20 uM VIA C22 H30 N6 O4 S CCCc1c2c(n....
20 1XM6 ic50 = 0.42 uM 5RM C14 H19 N O4 CCCOc1cc(c....
21 1RO6 Ki ~ 375 nM ROL C16 H21 N O3 COc1ccc(cc....
22 1Y2H ic50 = 0.056 uM 6DE C14 H15 Cl N2 O2 CCOC(=O)c1....
23 1ROR - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (53)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2QYN ic50 = 0.57 uM NPV C21 H13 N3 O4 c1cc(cc(c1....
2 3SL6 ic50 = 0.29 uM JN8 C22 H27 N3 O4 S2 CCNC(=O)N1....
3 1OYN ic50 = 0.55 uM ROL C16 H21 N O3 COc1ccc(cc....
4 1Y2B ic50 = 82 uM DEE C8 H12 N2 O2 CCOC(=O)c1....
5 1TBB - ROL C16 H21 N O3 COc1ccc(cc....
6 4W1O - 3GJ C19 H17 Cl2 N3 O4 CCc1cc(on1....
7 1ZKN - IBM C10 H14 N4 O2 CC(C)CN1c2....
8 3SL4 ic50 = 0.027 uM JN4 C21 H21 N3 O4 S C=CNC(=O)N....
9 1XOQ ic50 = 0.68 nM ROF C17 H14 Cl2 F2 N2 O3 c1cc(c(cc1....
10 1Y2E ic50 = 0.16 uM 5DE C14 H17 N3 O2 CCOC(=O)c1....
11 1PTW - AMP C10 H14 N5 O7 P c1nc(c2c(n....
12 5WQA ic50 = 0.011 uM J20 C36 H26 O5 COc1ccc(cc....
13 1Y2D ic50 = 2 uM 4DE C15 H18 N2 O3 CCOC(=O)c1....
14 1XON ic50 = 0.021 nM PIL C18 H18 Cl2 N2 O3 COc1ccc(cc....
15 1TB7 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
16 1XOR ic50 = 0.39 uM ZAR C12 H10 F2 N2 O3 COc1cc(ccc....
17 3G4K ic50 = 288 nM ROL C16 H21 N O3 COc1ccc(cc....
18 1Y2C ic50 = 0.27 uM 3DE C14 H17 N2 O2 CCOC(=O)c1....
19 2FM0 ic50 = 0.4 nM M98 C23 H18 F8 N2 O4 S c1cc(c[n+]....
20 1Y2K ic50 = 0.021 uM 7DE C14 H15 N3 O4 CCOC(=O)c1....
21 1XOM ic50 = 0.011 uM CIO C20 H25 N O4 COc1ccc(cc....
22 2PW3 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
23 1Q9M ic50 = 0.33 uM ROL C16 H21 N O3 COc1ccc(cc....
24 4WCU ic50 = 3 nM 3KQ C24 H22 Cl2 N2 O5 COc1ccc(c(....
25 2FM5 ic50 = 43 nM M99 C23 H18 F8 N2 O4 S c1cc(c[n+]....
26 3G4I - D71 C19 H13 N5 O4 c1cc(cc(c1....
27 3G4L ic50 = 5.8 nM ROF C17 H14 Cl2 F2 N2 O3 c1cc(c(cc1....
28 3G58 ic50 = 5 nM 988 C21 H15 N3 O2 c1cc(cc(c1....
29 2QYK ic50 = 3.3 uM NPV C21 H13 N3 O4 c1cc(cc(c1....
30 3GWT ic50 = 7.94 pM 066 C27 H26 N4 O5 S Cc1cc(cc2c....
31 3WD9 ic50 = 8.3 nM QPC C24 H27 N5 O2 CC(C)(C)CN....
32 4KP6 ic50 = 0.87 nM 1S1 C12 H17 N9 CCC(CC)(C#....
33 4NW7 ic50 = 237 nM 2O5 C20 H17 Cl N4 O2 c1cc(cc(c1....
34 3FRG ic50 = 4 nM SK4 C18 H17 N3 O4 S COc1cccc(c....
35 1RO9 - 8BR C10 H13 Br N5 O7 P c1nc(c2c(n....
36 1XOT ic50 = 3.8 uM VDN C23 H32 N6 O4 S CCCc1nc(c2....
37 1XLX ic50 = 0.025 uM CIO C20 H25 N O4 COc1ccc(cc....
38 3O57 ic50 = 79.4 pM ZG2 C29 H34 N6 O3 CCn1c2c(cn....
39 3HMV - HBT C17 H17 N3 O4 S C[C@H]1CCc....
40 3O56 ic50 = 794 pM ZG1 C21 H27 N7 O3 CCn1c2c(cn....
41 1XLZ ic50 = 0.96 uM FIL C15 H20 N2 O4 C/C(=NOC(=....
42 1XN0 ic50 = 0.57 uM ROL C16 H21 N O3 COc1ccc(cc....
43 1TB5 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
44 3D3P ic50 = 3.1 nM 20A C21 H25 N5 O2 CCn1c2c(cn....
45 3W5E ic50 = 11 nM NVW C25 H28 N4 O3 S CC(C)(C)NC....
46 4MYQ ic50 = 32 nM 19T C19 H18 Cl N3 O2 S CCc1c(nc(n....
47 2QYL ic50 = 0.65 uM NPV C21 H13 N3 O4 c1cc(cc(c1....
48 1XOS ic50 = 20 uM VIA C22 H30 N6 O4 S CCCc1c2c(n....
49 1XM6 ic50 = 0.42 uM 5RM C14 H19 N O4 CCCOc1cc(c....
50 1RO6 Ki ~ 375 nM ROL C16 H21 N O3 COc1ccc(cc....
51 1Y2H ic50 = 0.056 uM 6DE C14 H15 Cl N2 O2 CCOC(=O)c1....
52 1ROR - AMP C10 H14 N5 O7 P c1nc(c2c(n....
53 3G4G ic50 = 19 nM D71 C19 H13 N5 O4 c1cc(cc(c1....
50% Homology Family (184)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2CHM ic50 = 5.5 nM 3P4 C23 H29 N6 O3 CCc1c2c([n....
2 3TGG - 0H3 C23 H31 N5 O4 CCCOCCN1c2....
3 3HDZ ic50 = 51 nM PD6 C18 H19 N3 O CCCCN1C=CC....
4 3TGE ic50 = 0.07 nM TGE C24 H32 N6 O4 CCCOCCN1c2....
5 3B2R - VDN C23 H32 N6 O4 S CCCc1nc(c2....
6 2H44 ic50 = 1.7 uM 7CA C27 H32 O10 C[C@H]1[C@....
7 2H42 ic50 = 2.4 nM VIA C22 H30 N6 O4 S CCCc1c2c(n....
8 1T9S - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
9 4MD6 ic50 = 17 nM 24E C22 H15 N O3 S c1ccc2c(c1....
10 1UHO Kd ~ 0.6 nM VDN C23 H32 N6 O4 S CCCc1nc(c2....
11 1UDT Kd ~ 0.5 nM VIA C22 H30 N6 O4 S CCCc1c2c(n....
12 1RKP - IBM C10 H14 N4 O2 CC(C)CN1c2....
13 4IA0 ic50 = 77 nM 5BB C25 H37 Br N4 O4 S CCCCCCCCC1....
14 3SIE ic50 = 13.3 nM 5BO C20 H27 Br N4 O4 S CCCOc1ccc(....
15 3HC8 ic50 = 2.9 nM PD4 C24 H32 N6 O4 CCCOCCN1c2....
16 1XP0 ic50 = 0.001 uM VDN C23 H32 N6 O4 S CCCc1nc(c2....
17 1XOZ ic50 = 0.0012 uM CIA C22 H19 N3 O4 CN1CC(=O)N....
18 4I9Z ic50 = 18.2 nM 5BA C23 H31 Br N4 O3 CCCOc1ccc(....
19 1TBF - VIA C22 H30 N6 O4 S CCCc1c2c(n....
20 4OEX Kd = 0.00000145 M 5EO C20 H28 N4 O4 S CCCOc1ccc(....
21 4G2Y ic50 = 1.6 nM NI5 C21 H28 N4 O4 S CCCOc1ccc(....
22 4OEW Kd = 0.00000145 M 5IO C20 H27 I N4 O4 S CCCOc1ccc(....
23 3SL6 ic50 = 0.29 uM JN8 C22 H27 N3 O4 S2 CCNC(=O)N1....
24 1OYN ic50 = 0.55 uM ROL C16 H21 N O3 COc1ccc(cc....
25 1Y2B ic50 = 82 uM DEE C8 H12 N2 O2 CCOC(=O)c1....
26 1TBB - ROL C16 H21 N O3 COc1ccc(cc....
27 4W1O - 3GJ C19 H17 Cl2 N3 O4 CCc1cc(on1....
28 1ZKN - IBM C10 H14 N4 O2 CC(C)CN1c2....
29 3SL4 ic50 = 0.027 uM JN4 C21 H21 N3 O4 S C=CNC(=O)N....
30 1XOQ ic50 = 0.68 nM ROF C17 H14 Cl2 F2 N2 O3 c1cc(c(cc1....
31 1Y2E ic50 = 0.16 uM 5DE C14 H17 N3 O2 CCOC(=O)c1....
32 1PTW - AMP C10 H14 N5 O7 P c1nc(c2c(n....
33 1XON ic50 = 0.021 nM PIL C18 H18 Cl2 N2 O3 COc1ccc(cc....
34 1TB7 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
35 1XOR ic50 = 0.39 uM ZAR C12 H10 F2 N2 O3 COc1cc(ccc....
36 3G4K ic50 = 288 nM ROL C16 H21 N O3 COc1ccc(cc....
37 1Y2C ic50 = 0.27 uM 3DE C14 H17 N2 O2 CCOC(=O)c1....
38 2FM0 ic50 = 0.4 nM M98 C23 H18 F8 N2 O4 S c1cc(c[n+]....
39 1Y2K ic50 = 0.021 uM 7DE C14 H15 N3 O4 CCOC(=O)c1....
40 1XOM ic50 = 0.011 uM CIO C20 H25 N O4 COc1ccc(cc....
41 2PW3 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
42 1Q9M ic50 = 0.33 uM ROL C16 H21 N O3 COc1ccc(cc....
43 4WCU ic50 = 3 nM 3KQ C24 H22 Cl2 N2 O5 COc1ccc(c(....
44 2FM5 ic50 = 43 nM M99 C23 H18 F8 N2 O4 S c1cc(c[n+]....
45 3G4I - D71 C19 H13 N5 O4 c1cc(cc(c1....
46 3G4L ic50 = 5.8 nM ROF C17 H14 Cl2 F2 N2 O3 c1cc(c(cc1....
47 4G2J ic50 = 14 nM 0WF C21 H25 N5 O2 C[C@H](C1=....
48 3K3H - BYE C15 H12 Cl F3 N4 O C[C@@H](CC....
49 3DY8 - IBM C10 H14 N4 O2 CC(C)CN1c2....
50 3DYN - PCG C10 H12 N5 O7 P c1nc2c(n1[....
51 3DYQ - PCG C10 H12 N5 O7 P c1nc2c(n1[....
52 3JSW ic50 = 66 nM JAR C20 H25 N5 O C[C@@H]1C[....
53 3DYS - IBM C10 H14 N4 O2 CC(C)CN1c2....
54 4E90 ic50 = 8 nM 7RG C20 H25 N7 O2 C[C@@H]1C[....
55 5U7K ic50 = 7.1 nM 7Y1 C20 H22 N6 O CCCOc1cncc....
56 5TZA ic50 = 0.001 uM 7OG C22 H21 N5 O Cc1cc(n2c(....
57 5VP0 ic50 = 0.61 nM 9GJ C19 H18 F4 N4 O5 COC[C@H](c....
58 5U00 Kd = 0.002 uM 7OV C18 H15 F3 I N5 O Cc1cc(n2c(....
59 5U7I ic50 = 66.6 nM 7XS C20 H25 N5 O2 CC(C)Cc1c2....
60 5U7J ic50 = 389.6 nM 7XV C18 H22 N4 O2 CC(C)Cc1nn....
61 5XKM ic50 = 24 nM 87R C18 H17 F3 N4 O2 CC[C@H](c1....
62 5U7D ic50 = 0.5 nM 19F C27 H32 N4 O4 Cc1c2n(c(n....
63 5TZX ic50 = 0.052 uM 7OY C18 H15 Cl F3 N5 O Cc1cc(n2c(....
64 5TZZ ic50 = 0.008 uM 7OJ C18 H15 Br F3 N5 O Cc1cc(n2c(....
65 4HTX ic50 = 4.7 nM 19F C27 H32 N4 O4 Cc1c2n(c(n....
66 5TZ3 ic50 = 0.14 uM 7OM C22 H22 N6 O Cc1cc(n2c(....
67 5TZH ic50 = 0.679 uM 7OP C18 H16 F3 N5 O Cc1cc(n2c(....
68 5TZC ic50 = 0.008 uM 7OJ C18 H15 Br F3 N5 O Cc1cc(n2c(....
69 3ITU ic50 = 40 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
70 4JIB ic50 = 45 nM 1L6 C23 H28 N6 O2 CCC(C)(C)c....
71 5U7L ic50 = 4.9 nM 7Y4 C24 H30 N8 CCc1ccc(cc....
72 4D09 ic50 = 1.7 nM 788 C24 H19 N5 O Cc1c2nnc(n....
73 5TZW ic50 = 0.987 uM 7P4 C18 H15 F4 N5 O Cc1cc(n2c(....
74 4D08 ic50 = 10 nM Q2T C24 H28 N6 O2 CCCCOc1cc(....
75 5I2R ic50 = 0.019 uM 67A C20 H13 F3 N4 O2 c1ccc(cc1)....
76 4FCB ic50 = 2.9 nM 0T7 C25 H24 N4 O CCCc1nc(c2....
77 4LM3 Ki = 1200 uM 9ZE C10 H10 O3 CC(=O)c1cc....
78 5C29 Ki = 880 nM 4XY C11 H16 Cl N3 CCCNc1c(c(....
79 4MSC Ki = 1.1 uM 2ZT C19 H14 N2 O c1ccc2c(c1....
80 2OUQ - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
81 4MRW Ki = 500 uM MRW C9 H6 Cl N O c1cc2c(ccn....
82 5C2E Ki = 590 nM 4Y1 C18 H20 Cl N5 O S Cc1c(nc(nc....
83 4LKQ Ki = 450 uM 1XM C5 H5 N5 S c1c2c([nH]....
84 3LXG ic50 = 7.28 nM Z73 C15 H18 N4 O CCCc1nc(c2....
85 5AXP ic50 = 0.94 nM 4LK C23 H18 F N5 O4 COC1=CN(N=....
86 4ZO5 Ki = 0.15 nM 4Q0 C28 H25 N3 O5 CC(C)Oc1cc....
87 5C1W Ki = 8.7 uM 4XS C8 H8 Cl2 N2 Cc1c(nc(nc....
88 3UI7 Ki = 1 nM C1L C18 H22 N4 O2 Cc1cc(cc2c....
89 2OUY - CMP C10 H12 N5 O6 P c1nc(c2c(n....
90 3SNL ic50 = 0.7 nM 548 C19 H14 Cl F3 N4 Cc1cnccc1c....
91 4LM4 Ki = 910 uM JPZ C8 H6 N2 O c1ccc2c(c1....
92 2OUN - AMP C10 H14 N5 O7 P c1nc(c2c(n....
93 5EDI ic50 = 0.3 nM 5M9 C17 H22 Cl N7 Cc1cc(c(n2....
94 2OUR - CMP C10 H12 N5 O6 P c1nc(c2c(n....
95 2Y0J ic50 = 12 nM AXC C18 H14 N6 S Cc1nc2c3cc....
96 4FCD ic50 = 0.28 nM 0T6 C18 H15 Cl N4 O2 Cc1c2nnc3c....
97 5B4L ic50 = 0.76 nM 6DW C28 H27 N7 O2 c1ccc(cc1)....
98 5C2H Ki = 0.0082 nM 4XU C23 H24 Cl N5 O S Cc1c(nc(nc....
99 4YS7 ic50 = 0.001 uM 4GK C20 H19 N7 Cc1cnc(c2n....
100 5EDH - 5MF C17 H24 N8 CCc1cnc(n2....
101 4PHW ic50 = 0.1 nM 2W1 C24 H21 N3 O3 c1ccc2c(c1....
102 4BBX ic50 = 60 nM LKF C18 H24 N6 O2 Cc1c(n2ccn....
103 5DH5 Ki = 0.23 nM 5AY C20 H21 N7 O Cn1cc(cn1)....
104 4P1R ic50 = 4.1 nM 2KR C19 H17 N5 O Cc1ccc(nc1....
105 4LLP Ki = 450 uM 4ZE C7 H9 N O Cc1cc(ccc1....
106 5UWF ic50 = 0.059 uM 8Q7 C22 H19 F2 N5 O3 S COc1ccc(cc....
107 4MSH Ki = 210 uM 2D0 C7 H5 Cl N2 S c1cc2c(c(c....
108 5AXQ ic50 = 0.08 uM 4LP C28 H26 F N5 O3 CC1(c2c(cc....
109 4LM2 Ki = 940 uM 8ZE C9 H10 O3 c1cc2c(cc1....
110 4YQH ic50 = 0.009 uM 4F7 C19 H16 N4 c1ccc(cc1)....
111 5C2A Ki = 4.8 nM 4Y2 C14 H17 Cl N4 S Cc1c(nc(nc....
112 4DDL ic50 = 4.9 nM 0JQ C24 H30 N4 O3 Cc1cc(cnc1....
113 4P0N ic50 = 3.4 nM 1IR C18 H17 N5 O S COc1nc2ccc....
114 5EDG - 5MG C20 H12 Cl F3 N4 O2 c1ccc(cc1)....
115 4LLX Ki = 1300 uM 5ZE C6 H9 N3 Cc1cc(nc(n....
116 5C28 Ki = 2.2 uM 4XV C8 H10 Cl N3 Cc1c(nc(nc....
117 2OUU - 35G C10 H12 N5 O7 P c1nc2c(n1[....
118 4MVH ic50 = 4.5 nM 2F5 C22 H19 N5 O3 c1ccc2c(c1....
119 4HEU ic50 = 0.097 nM 15J C24 H25 N5 O2 c1ccc2c(c1....
120 4LLJ Ki = 380 uM 1XN C8 H9 N3 c1ccc2c(c1....
121 3SNI ic50 = 11 nM 546 C18 H17 N5 O Cc1ccncc1c....
122 4HF4 ic50 = 2.4 nM 15H C24 H25 N5 O2 S C[C@@H](C1....
123 3SN7 ic50 = 0.7 nM 540 C19 H17 F N4 O Cc1cnccc1c....
124 4AEL ic50 = 12 nM 4HN C23 H17 N3 O2 CCOc1ccccc....
125 4LLK Ki = 990 uM MEW C9 H8 N2 O CC1=Nc2ccc....
126 4MSA Ki = 500 uM 2ZM C7 H5 N3 O2 c1cc2c(cc1....
127 4MS0 Ki = 410 uM 2ZX C4 H5 Cl N4 c1c(nc(nc1....
128 4LM0 Ki = 560 uM 5NI C7 H5 N3 O2 c1cc2c(cc1....
129 4DFF Ki = 35 nM 0JP C16 H15 N3 O2 S COc1cc2c(c....
130 3WI2 ic50 = 601 nM P98 C26 H23 N3 O CC(C)c1nc2....
131 4MRZ Ki = 300 uM 2ZV C6 H7 N3 O2 Cc1ccnc(c1....
132 4LM1 Ki = 590 uM 7ZE C9 H6 N2 O2 c1cc2c(ccc....
133 5DH4 Ki = 58 nM 5AV C12 H12 Cl N5 S Cc1c(sc(n1....
134 3UUO Ki = 11 nM 0CV C17 H21 N5 O Cc1cc(cc2c....
135 4MSN Ki = 94 uM 2ZQ C9 H6 N2 O2 c1cc2cccnc....
136 4XY2 ic50 = 8 nM 490 C25 H23 N5 O2 Cn1cc(c(n1....
137 3SHZ ic50 = 35.9 nM 5CO C20 H27 Cl N4 O4 S CCCOc1ccc(....
138 4G2W ic50 > 1000 nM NI0 C22 H32 N4 O4 S CCCOc1ccc(....
139 3G3N ic50 = 0.51 uM TC8 C15 H10 F2 N2 O S CSC1=Nc2cc....
140 3QI4 ic50 = 117.2 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
141 4QGE ic50 = 0.6 nM 35O C20 H24 N6 O3 C[C@H](C(=....
142 3QI3 - PDB C15 H12 Cl F3 N4 O C[C@H](CC1....
143 4Y86 ic50 = 58 nM 49E C18 H20 Cl N5 O CC(c1ccc(c....
144 3ECN ic50 = 700 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
145 3HQW ic50 = 51 nM PF4 C21 H18 N2 O2 S COc1ccc(cc....
146 3QPO ic50 = 247 nM PFR C27 H28 N4 O2 COc1cc2c(c....
147 2OVV Kd = 12 nM PFH C24 H23 N3 O3 COc1cc2c(c....
148 3HR1 ic50 = 0.37 nM PF9 C25 H20 N4 O Cn1cc(c(n1....
149 3QPN ic50 = 17 nM PFK C20 H17 N3 O2 COc1cc2cnc....
150 3HQZ ic50 = 0.42 nM PF8 C24 H18 N4 O c1ccc2c(c1....
151 2O8H Ki = 25 nM 227 C24 H29 N5 O4 S CN1CCN(CC1....
152 3HQY ic50 = 11.5 nM PF6 C25 H20 N4 O c1ccc2c(c1....
153 2OVY Ki = 4 nM PFJ C22 H21 N5 O3 COc1cc2c(c....
154 3QPP ic50 = 12 nM PFW C31 H30 N4 O2 COc1cc2c(c....
155 4Y2B ic50 = 4.4 nM EPK C16 H18 N4 O S CCN1C(=O)c....
156 1ZKL ic50 = 8.1 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
157 4PM0 ic50 = 45 nM 32V C15 H17 N3 O S CCN1C(=O)c....
158 2QYK ic50 = 3.3 uM NPV C21 H13 N3 O4 c1cc(cc(c1....
159 3GWT ic50 = 7.94 pM 066 C27 H26 N4 O5 S Cc1cc(cc2c....
160 3WD9 ic50 = 8.3 nM QPC C24 H27 N5 O2 CC(C)(C)CN....
161 4KP6 ic50 = 0.87 nM 1S1 C12 H17 N9 CCC(CC)(C#....
162 4NW7 ic50 = 237 nM 2O5 C20 H17 Cl N4 O2 c1cc(cc(c1....
163 3FRG ic50 = 4 nM SK4 C18 H17 N3 O4 S COc1cccc(c....
164 1RO9 - 8BR C10 H13 Br N5 O7 P c1nc(c2c(n....
165 1XOT ic50 = 3.8 uM VDN C23 H32 N6 O4 S CCCc1nc(c2....
166 1XLX ic50 = 0.025 uM CIO C20 H25 N O4 COc1ccc(cc....
167 3O57 ic50 = 79.4 pM ZG2 C29 H34 N6 O3 CCn1c2c(cn....
168 3HMV - HBT C17 H17 N3 O4 S C[C@H]1CCc....
169 1XLZ ic50 = 0.96 uM FIL C15 H20 N2 O4 C/C(=NOC(=....
170 1XN0 ic50 = 0.57 uM ROL C16 H21 N O3 COc1ccc(cc....
171 1TB5 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
172 3D3P ic50 = 3.1 nM 20A C21 H25 N5 O2 CCn1c2c(cn....
173 3W5E ic50 = 11 nM NVW C25 H28 N4 O3 S CC(C)(C)NC....
174 4MYQ ic50 = 32 nM 19T C19 H18 Cl N3 O2 S CCc1c(nc(n....
175 2QYL ic50 = 0.65 uM NPV C21 H13 N3 O4 c1cc(cc(c1....
176 1XOS ic50 = 20 uM VIA C22 H30 N6 O4 S CCCc1c2c(n....
177 1XM6 ic50 = 0.42 uM 5RM C14 H19 N O4 CCCOc1cc(c....
178 1RO6 Ki ~ 375 nM ROL C16 H21 N O3 COc1ccc(cc....
179 1Y2H ic50 = 0.056 uM 6DE C14 H15 Cl N2 O2 CCOC(=O)c1....
180 1ROR - AMP C10 H14 N5 O7 P c1nc(c2c(n....
181 5UOY ic50 = 0.027 uM 8HM C24 H27 N5 O3 S COc1ccc(cc....
182 5B25 Kd = 0.058 nM 4QJ C29 H26 F N7 O CN1C(=O)c2....
183 5UP0 ic50 = 0.46 uM 8HP C18 H15 Cl N4 O S c1cc(ccc1C....
184 3G4G ic50 = 19 nM D71 C19 H13 N5 O4 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FIL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FIL 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GWT; Ligand: 066; Similar sites found: 63
This union binding pocket(no: 1) in the query (biounit: 3gwt.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1L0I PSR 0.0005646 0.51301 None
2 1UO5 PIH 0.02202 0.43215 None
3 4F4S EFO 0.0318 0.41044 None
4 4G8R 96P 0.02925 0.4143 1.983
5 2WR1 NAG 0.02205 0.40431 1.983
6 2YJD YJD 0.02088 0.40153 2.08333
7 4UCC ZKW 0.02325 0.43024 2.14592
8 5BU2 RIB 0.003306 0.47054 2.26629
9 1J78 OLA 0.006882 0.42838 2.26629
10 1J78 VDY 0.01304 0.42674 2.26629
11 1GEG GLC 0.02434 0.41636 2.34375
12 4V3I ASP LEU THR ARG PRO 0.0307 0.41293 2.72374
13 2PFC PLM 0.02518 0.40429 2.73224
14 3R9V DXC 0.04091 0.40646 2.7972
15 3TDC 0EU 0.003385 0.48961 2.83286
16 1WS1 BB2 0.02187 0.40057 3.20513
17 5HCN DAO 0.02425 0.41679 3.44828
18 5EHR 5OD 0.02664 0.40307 3.68272
19 3SQP 3J8 0.01749 0.429 3.96601
20 5MES 7LT 0.01665 0.41327 4.32099
21 1TV5 N8E 0.008241 0.4419 4.53258
22 2VWA PTY 0.01152 0.44174 4.9505
23 4TUZ 36J 0.007326 0.43099 5.09804
24 4MGA 27L 0.02166 0.42853 5.09804
25 4MG8 27J 0.008658 0.42345 5.09804
26 2VDY HCY 0.02668 0.41648 5.09915
27 4TV1 36M 0.005017 0.4534 5.17928
28 3UUA 0CZ 0.0174 0.40871 5.17928
29 3UU7 2OH 0.04603 0.40173 5.17928
30 3G5K BB2 0.01301 0.41486 5.46448
31 3TL1 JRO 0.02356 0.41746 5.66038
32 4HBM 0Y7 0.01919 0.40328 5.83333
33 5CQG 55C 0.01791 0.42795 5.94901
34 4DR9 BB2 0.02202 0.40042 6.25
35 1DKF OLA 0.01761 0.40846 6.38298
36 4LH7 NMN 0.0276 0.41537 6.50155
37 2Q8H TF4 0.01091 0.42548 6.51558
38 3KP6 SAL 0.04781 0.40494 6.62252
39 5V4R MGT 0.000745 0.51149 6.79012
40 3KO0 TFP 0.0144 0.42411 6.93069
41 5OCA 9QZ 0.001146 0.49907 7.14286
42 1XVB 3BR 0.01759 0.41589 7.93201
43 4J8T DOG 0.02302 0.40278 8.0292
44 1I0B PEL 0.01502 0.42673 8.13253
45 4ZGM 32M 0.01124 0.4443 8.19672
46 2QCX PF1 0.03045 0.41313 8.36502
47 4N6W FLC 0.00975 0.42483 8.49858
48 1JGS SAL 0.01187 0.42765 8.69565
49 2Y69 CHD 0.02071 0.42326 8.81226
50 3AQT RCO 0.03206 0.41576 8.97959
51 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.02955 0.40436 9.52381
52 3ZCB ATP 0.01806 0.40793 9.59596
53 5CHR 4NC 0.00143 0.48499 10.219
54 2QQC AG2 0.03346 0.4105 10.7143
55 1T0S BML 0.008333 0.42776 12.7907
56 5UGW GSH 0.001338 0.46572 13.1429
57 1OW4 2AN 0.01896 0.41423 13.1783
58 1NF8 BOG 0.002603 0.47077 14.9758
59 5N8V KZZ 0.01411 0.42496 15.942
60 3E3U NVC 0.01461 0.41241 20.3046
61 5MWE TCE 0.007384 0.44445 24.6914
62 3BJC WAN 0.00000009938 0.43703 41.0765
63 5EDE 5M6 0.000001536 0.62146 43.8095
Pocket No.: 2; Query (leader) PDB : 3GWT; Ligand: 066; Similar sites found: 403
This union binding pocket(no: 2) in the query (biounit: 3gwt.bio2) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2YLD CMO 0.0003683 0.49525 None
2 1MQ0 BRD 0.0004898 0.45175 None
3 2WGC SIA GAL BGC 0.02065 0.44645 None
4 2ORV 4TA 0.00007688 0.44311 None
5 1WGC SIA GAL BGC 0.03643 0.42459 None
6 3EW2 BTN 0.006009 0.42246 None
7 2FR6 URI 0.001628 0.41866 None
8 2E1A MSE 0.008491 0.41606 None
9 2UX9 COA 0.002587 0.41528 None
10 2FR6 CTN 0.002028 0.41523 None
11 3SJ0 DXC 0.02518 0.41443 None
12 2JGS BTN 0.01534 0.41184 None
13 1XX6 ADP 0.01162 0.40597 None
14 1YFZ IMP 0.0268 0.4032 None
15 1QD0 RR6 0.01272 0.40037 None
16 1MOQ GLP 0.001128 0.42439 1.13314
17 4NTD FAD 0.0006094 0.40473 1.17647
18 1JN2 SFP 0.0203 0.45062 1.26582
19 3PXP MYR 0.0009277 0.43171 1.36986
20 4CCO OGA 0.002033 0.44806 1.41643
21 1ZED PNP 0.009921 0.43418 1.41643
22 4CCN OGA 0.008214 0.43214 1.41643
23 4OYA 1VE 0.002713 0.42148 1.41643
24 1LVL NAD 0.001181 0.41588 1.41643
25 4AMV F6R 0.00454 0.41007 1.41643
26 2R5T ANP 0.001917 0.40869 1.41643
27 2QV7 ADP 0.004846 0.409 1.48368
28 3UST FAD 0.004551 0.41003 1.49813
29 1WTC ACP 0.009743 0.43456 1.54799
30 1UAY ADN 0.0009659 0.44027 1.65289
31 2Q28 ADP 0.0009044 0.42375 1.69972
32 3O2K QRP 0.00461 0.42257 1.69972
33 2PUL ACP 0.00284 0.4178 1.69972
34 4IHQ ADP 0.008429 0.4162 1.69972
35 2ZYF AKG 0.00874 0.41553 1.69972
36 3O2K DST 0.01367 0.41173 1.69972
37 4IMG NGF 0.0005212 0.43213 1.70648
38 3NNF AKG 0.008146 0.43231 1.74419
39 4OB6 S2T 0.002291 0.42134 1.75953
40 3I0O SMI 0.003162 0.44538 1.76991
41 3I0O ADP 0.003838 0.42585 1.76991
42 1NHZ 486 0.000904 0.41611 1.78571
43 1A5V Y3 0.01304 0.41747 1.89873
44 2AHR NAP 0.0001571 0.41194 1.9305
45 2A2X NA9 0.004149 0.40404 1.9305
46 1SS4 CIT 0.0007918 0.51068 1.96078
47 1SS4 GSH 0.007567 0.47428 1.96078
48 1GPJ CIT 0.001807 0.46294 1.983
49 2CFU 1DB 0.0002406 0.43949 1.983
50 3QO8 SSA 0.0008602 0.43745 1.983
51 4J7H TLO 0.0009421 0.41924 1.983
52 3PLN U5P 0.01036 0.41703 1.983
53 2QF7 COA 0.004778 0.41322 1.983
54 1OYB FMN 0.001227 0.40821 1.983
55 2NVK NAP 0.02025 0.4042 1.983
56 2TPL HPP 0.001087 0.40327 1.983
57 2R14 FMN 0.001063 0.40042 1.983
58 2Y0I AKG 0.001817 0.45627 1.98864
59 1ULE GLA GAL NAG 0.003278 0.46488 2
60 4B7E OGA 0.001692 0.45767 2.00573
61 3P3N AKG 0.004098 0.4463 2.00573
62 1H2K OGA 0.00772 0.43341 2.00573
63 2WA4 069 0.004363 0.41903 2.00573
64 1SJW NGV 0.001037 0.43438 2.08333
65 3DX5 DHB 0.00943 0.40972 2.0979
66 3LTW HLZ 0.01164 0.42503 2.14286
67 1NML CIT 0.0106 0.41658 2.14724
68 4RJK PYR 0.004115 0.48671 2.26629
69 4WBD CIT 0.007957 0.44547 2.26629
70 2F2U M77 0.00571 0.41873 2.26629
71 2XCG XCG 0.0001727 0.41404 2.26629
72 2Z9V PXM 0.01308 0.41256 2.26629
73 3PC3 P1T 0.001979 0.40821 2.26629
74 3B9Z CO2 0.03459 0.40268 2.26629
75 1FBL HTA 0.01449 0.402 2.26629
76 1SQ5 ADP 0.002663 0.42762 2.27273
77 1SQ5 PAU 0.006602 0.42562 2.27273
78 3SHR CMP 0.0125 0.40465 2.34114
79 3CEV ARG 0.0175 0.40265 2.34114
80 2VHJ ADP 0.00116 0.41995 2.41692
81 4AIG FLX 0.0004503 0.46421 2.48756
82 4LXH C1E 0.002386 0.41658 2.52708
83 1RYI GOA 0.007648 0.46263 2.54958
84 1PEA ACM 0.01463 0.4321 2.54958
85 3B96 MYA 0.0006311 0.42922 2.54958
86 2GWD GLU 0.005746 0.42328 2.54958
87 2HEK GDP 0.005063 0.42088 2.54958
88 2C7G ODP 0.000798 0.41616 2.54958
89 2BII MTV 0.000927 0.41217 2.54958
90 2NCD ADP 0.02183 0.40727 2.54958
91 2WCV FUC 0.01094 0.40706 2.54958
92 4C6F DOR 0.01524 0.40109 2.54958
93 4C6F NCD 0.01524 0.40109 2.54958
94 1E4E ADP 0.0009558 0.42697 2.62391
95 2R40 EPH 0.0002985 0.40573 2.63158
96 2R40 20E 0.00147 0.40236 2.63158
97 2OHV NHL 0.007675 0.41793 2.65152
98 4WX0 HXD 0.001559 0.42767 2.6616
99 3W54 RNB 0.001463 0.43325 2.73556
100 1LDM OXM 0.01492 0.40147 2.73556
101 1N9L FMN 0.00002994 0.48101 2.75229
102 1Q3P GLU ALA GLN THR ARG LEU 0.01067 0.41183 2.75229
103 1X8X TYR 0.0003798 0.46725 2.79503
104 1A5Z OXM 0.03859 0.41066 2.82132
105 3HZL 6PC 0.002545 0.47876 2.83286
106 3IHB TRS 0.005199 0.45909 2.83286
107 1YHM AHD 0.003004 0.44639 2.83286
108 4HA6 PXM 0.003463 0.44359 2.83286
109 2BO4 FLC 0.007983 0.43877 2.83286
110 3IB9 BTN 0.01134 0.43445 2.83286
111 3IHB GLU 0.01011 0.43378 2.83286
112 1RYD GLC 0.009185 0.42986 2.83286
113 2YVF FAD 0.001106 0.41576 2.83286
114 2YVF NAD 0.001168 0.41576 2.83286
115 1P9B GDP 0.00337 0.41104 2.83286
116 1QF5 RPL 0.001072 0.40693 2.83286
117 1QF5 GDP 0.001072 0.40693 2.83286
118 3SQG COM 0.004963 0.47222 2.86738
119 3U1T MLI 0.0004258 0.5005 2.91262
120 3MAG 3MA 0.03024 0.42907 2.9316
121 1XE7 GUN 0.004472 0.46593 2.95567
122 1P72 THM 0.005452 0.42927 2.99401
123 3QP6 HL6 0.001582 0.43192 3.01887
124 1WNG SAH 0.001204 0.4194 3.01887
125 3MCT 3MC 0.007651 0.42281 3.0303
126 2BZ1 TAU 0.001509 0.51165 3.06122
127 3D2Y AH0 ALA FGA LYS 0.004996 0.40114 3.06513
128 1NU4 MLA 0.002555 0.49856 3.09278
129 3ZUY TCH 0.006545 0.41628 3.09598
130 1YBH P22 0.005228 0.42031 3.11615
131 1O68 KIV 0.01464 0.41041 3.11615
132 3MTW M3R 0.007721 0.40132 3.11615
133 2AMV BIN 0.001902 0.4012 3.11615
134 1QDS PGA 0.009919 0.40882 3.18725
135 1AUX AGS 0.0001744 0.45848 3.21543
136 3PMD 11A 0.002576 0.43299 3.26797
137 1YRX FMN 0.004268 0.41514 3.30579
138 4B9E FAH 0.0002222 0.51418 3.32226
139 1CKM GTP 0.001168 0.45268 3.33333
140 3I6B KDO 0.00599 0.42748 3.33333
141 4USS GSH 0.02131 0.40322 3.38462
142 1M1B SPV 0.002386 0.45092 3.38983
143 2ZWS PLM 0.005482 0.47957 3.39943
144 2D0V PQQ 0.0001482 0.45126 3.39943
145 2Q09 DI6 0.006338 0.42147 3.39943
146 4EPL JAI 0.002646 0.41897 3.39943
147 3V1V GST 0.003573 0.4101 3.39943
148 3GJB AKG 0.008039 0.41707 3.44828
149 2ZE3 AKG 0.007565 0.42822 3.63636
150 1C3V PDC 0.001386 0.46159 3.67347
151 4KGM ATP 0.002229 0.43072 3.67347
152 2ZJ5 ADP 0.001506 0.45995 3.68272
153 1E2S CSN 0.001113 0.43788 3.68272
154 3DG6 MUC 0.002304 0.42557 3.68272
155 2YPO PHE 0.0001162 0.41892 3.68272
156 3P7I P7I 0.02323 0.40155 3.68272
157 2PP3 LGT 0.009625 0.40135 3.68272
158 3HF3 FMN 0.0009255 0.41577 3.72493
159 1UW1 ADP 0.02056 0.40846 3.75
160 1AX2 NDG GAL 0.00439 0.4334 3.76569
161 3BHO B4P 0.01518 0.44559 3.84615
162 3IPQ 965 0.0003624 0.40489 3.88693
163 3PNA CMP 0.008597 0.41583 3.8961
164 1GJW GLC 0.001505 0.47394 3.96601
165 2IZ1 ATR 0.001615 0.46523 3.96601
166 1GJW MAL 0.001419 0.44367 3.96601
167 1I1Q TRP 0.003407 0.43294 3.96601
168 3DGB MUC 0.003099 0.42498 3.96601
169 4PNI KQQ 0.001082 0.4066 3.96601
170 1WDA BAG 0.01441 0.40627 3.96601
171 2PVQ GSH 0.003682 0.40962 3.9801
172 4NAO AKG 0.04386 0.40256 3.98773
173 1B5E DCM 0.004615 0.42733 4.06504
174 3I51 45C 0.0101 0.40439 4.07407
175 2HFK E4H 0.001299 0.45657 4.07523
176 1R5A GTS 0.002784 0.43666 4.12844
177 1HFA PIO 0.0008499 0.48513 4.15225
178 4K7O EKZ 0.04825 0.4005 4.16667
179 2OWZ CIT 0.0004638 0.49057 4.21687
180 2Q8M AMP 0.001077 0.44337 4.21687
181 4FGC PQ0 0.001716 0.45739 4.24242
182 4LIT AKG 0.00153 0.45965 4.24929
183 1E5F PLP 0.003635 0.41374 4.24929
184 1I7L ATP 0.001102 0.40972 4.24929
185 4R33 TRP 0.0003213 0.40621 4.24929
186 4R33 SAH 0.0003213 0.40621 4.24929
187 1U3I GSH 0.0114 0.42013 4.2654
188 4JWX 1N4 0.0197 0.40472 4.28571
189 1U5R ATP 0.004154 0.41154 4.31034
190 3KYF 5GP 5GP 0.0107 0.40745 4.329
191 3F81 STT 0.009754 0.44815 4.37158
192 1TUV VK3 0.03683 0.41766 4.38596
193 1AUA BOG 0.001934 0.449 4.39189
194 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.004921 0.456 4.42177
195 1Z41 FMN 0.0001452 0.46671 4.43787
196 1Z42 FMN 0.0005335 0.45558 4.43787
197 1Z44 FMN 0.0006368 0.44731 4.43787
198 1Z48 FMN 0.00063 0.44258 4.43787
199 1Z44 NPO 0.02431 0.44235 4.43787
200 2DVZ GLU 0.007005 0.41506 4.4586
201 2VAR AMP 0.0007789 0.4544 4.47284
202 2VAR KDF 0.001497 0.43764 4.47284
203 2VAR ANP 0.002924 0.40242 4.47284
204 2JAR UMP 0.002944 0.40941 4.5
205 4B16 NAG 0.0003931 0.53239 4.51128
206 1S8F GDP 0.007152 0.40639 4.51977
207 4M51 BEZ 0.001722 0.47896 4.53258
208 1Q11 TYE 0.001988 0.44848 4.53258
209 3ANK NG6 GCD 0.007751 0.41324 4.53258
210 3F3E LEU 0.00003262 0.40682 4.53258
211 1CBF SAH 0.001523 0.42805 4.5614
212 1H8P PC 0.002374 0.48035 4.58716
213 3NFZ 3NF 0.001923 0.43328 4.58716
214 3LST SAH 0.00317 0.42017 4.5977
215 4R3L COA 0.004471 0.40839 4.62428
216 3EE4 MYR 0.001357 0.41382 4.64396
217 1YGC 905 0.00264 0.40744 4.7619
218 2YFT DQR 0.00007975 0.47656 4.81586
219 2P69 PLP 0.008249 0.42651 4.90196
220 2Q37 3AL 0.004333 0.43919 4.97238
221 2XRH NIO 0.01023 0.43353 5
222 3KMT SAH 0.003243 0.41978 5.04202
223 1KDK DHT 0.0006423 0.42106 5.08475
224 2Y7P SAL 0.001707 0.45138 5.09915
225 1Y42 TYR 0.002506 0.44408 5.09915
226 4JRB PGT 0.003624 0.42226 5.09915
227 3ZGE ASP 0.02558 0.41979 5.09915
228 1C1L GAL BGC 0.002421 0.46393 5.10949
229 3WCS MAN NAG GAL 0.005785 0.41849 5.11811
230 4PTZ FMN 0.002966 0.41309 5.2356
231 4AF5 CIT 0.001782 0.46323 5.26316
232 1R6W 164 0.001042 0.4343 5.2795
233 4JHG ZEA 0.004429 0.41048 5.35714
234 1TDF FAD 0.000484 0.41635 5.37975
235 1TDF NAP 0.002694 0.40967 5.37975
236 1QZZ SAM 0.005561 0.41065 5.38244
237 4L7I SAM 0.003818 0.40904 5.38244
238 2XVE FAD 0.003385 0.40124 5.38244
239 1DXY COI 0.04504 0.41299 5.40541
240 2RHQ GAX 0.002593 0.40084 5.44218
241 3SIX GDP 0.01244 0.40075 5.45455
242 2VQ5 LDP 0.01115 0.44511 5.47264
243 2VQ5 HBA 0.01325 0.42806 5.47264
244 4F8L GAL 0.02959 0.4374 5.51724
245 4E28 0MZ 0.003455 0.44364 5.53846
246 4E28 9MZ 0.007543 0.43388 5.53846
247 3SCH TB6 0.01472 0.42024 5.55556
248 5EQU AKG 0.02224 0.42287 5.57377
249 4K30 NLG 0.001917 0.44917 5.625
250 2OFD NGA 0.0006614 0.48336 5.6338
251 2OFE NAG 0.0006954 0.48234 5.6338
252 1Y2W NAG 0.001421 0.46783 5.6338
253 3KMZ EQO 0.00006331 0.44163 5.6391
254 4C2G ALA ALA ALA ALA 0.004155 0.42927 5.66572
255 1I2B USQ 0.0009327 0.41407 5.66572
256 1I2B UPG 0.0009327 0.41407 5.66572
257 1I2B NAD 0.0009327 0.41407 5.66572
258 3BK2 U5P 0.01163 0.40194 5.66572
259 1EJE FMN 0.001915 0.41612 5.72917
260 1QY1 PRZ 0.00006815 0.45821 5.74713
261 1WRA PC 0.03282 0.40877 5.84416
262 1F1V DHY 0.00595 0.42264 5.88235
263 2O66 FLC 0.0126 0.41816 5.92593
264 2F5T MAL 0.0004615 0.43834 6.00858
265 1V6A TRE 0.01879 0.41025 6.0241
266 4COQ SAN 0.003995 0.44682 6.07287
267 4O8A 2OP 0.01769 0.43453 6.23229
268 1KTC NGA 0.004555 0.4327 6.23229
269 3AYS CT3 0.002649 0.4325 6.23229
270 1JIL 485 0.001502 0.41602 6.23229
271 1FP2 HMO 0.003637 0.41373 6.25
272 1FP2 SAH 0.005773 0.41002 6.25
273 3GM5 CIT 0.008278 0.43198 6.28931
274 3BY8 MLT 0.006697 0.44248 6.33803
275 1JH7 UVC 0.005878 0.43318 6.34921
276 1V7R CIT 0.01473 0.44632 6.45161
277 1XX4 BAM 0.003427 0.4409 6.51341
278 4LHM AZZ 0.0009074 0.46991 6.51558
279 4NM5 ADP 0.001298 0.41087 6.51558
280 2DDH HXD 0.001915 0.4087 6.51558
281 1G8S MET 0.01564 0.41898 6.52174
282 2P41 G1G 0.002795 0.43659 6.55738
283 1O9U ADZ 0.005055 0.46314 6.57143
284 4M5P MLA 0.0051 0.47158 6.79887
285 2DWU DGL 0.001044 0.45474 6.79887
286 1Y1A GSH 0.01599 0.44677 6.79887
287 4M5P 23W 0.01967 0.42558 6.79887
288 1UOU CMU 0.002896 0.4217 6.79887
289 4M5P FMN 0.001911 0.40873 6.79887
290 3UEC ALA ARG TPO LYS 0.01623 0.42376 6.84932
291 3GF2 SAL 0.03183 0.41494 6.84932
292 1I0Z OXM 0.02729 0.42458 6.90691
293 3O7B SAH 0.004929 0.40135 6.96721
294 4LO6 SIA GAL 0.02945 0.41381 7.08215
295 1KC7 PPR 0.03891 0.40513 7.08215
296 3F8C HT1 0.01951 0.4095 7.14286
297 2IYG FMN 0.002151 0.43133 7.25806
298 2DTJ THR 0.01299 0.40397 7.30337
299 4LFL TG6 0.01075 0.40737 7.40741
300 2V5E SCR 0.0006849 0.51923 7.5
301 4OJ8 AKG 0.001346 0.41769 7.50853
302 4OJ8 2TQ 0.001221 0.41176 7.50853
303 9LDT OXM 0.008332 0.4599 7.53012
304 9LDB OXM 0.01593 0.44444 7.53012
305 4JP3 CIT 0.003365 0.42355 7.53138
306 3SJ7 NDP 0.0004843 0.40437 7.53968
307 1BTN I3P 0.02718 0.44535 7.54717
308 1YOA FMN 0.04971 0.42427 7.54717
309 2WUF KEM 0.002053 0.40092 7.56014
310 1Y7P RIP 0.01038 0.42737 7.62332
311 1QB7 ADE 0.009414 0.40975 7.62712
312 3L24 GOA 0.003049 0.47465 7.64873
313 2UZ2 BTN 0.00256 0.41951 7.69231
314 3RF4 FUN 0.0027 0.44265 7.75862
315 1B74 DGN 0.003416 0.46398 7.87402
316 3E81 SLB 0.01114 0.42058 7.92683
317 4GYW UDP 0.000212 0.41129 7.93201
318 2XDQ MGX 0.001565 0.48982 8.02348
319 2XK9 XK9 0.000128 0.41891 8.07453
320 2Q1A 2KT 0.01368 0.42172 8.19113
321 3QV9 QV7 0.006306 0.4318 8.2153
322 3FXU TSU 0.001566 0.40148 8.2153
323 1H8G CHT 0.002549 0.49862 8.42105
324 2JBH 5GP 0.006765 0.42027 8.44444
325 4BG1 OGA 0.000575 0.42656 8.49858
326 4BG1 IVL 0.000575 0.42656 8.49858
327 4CIB 7UZ 0.01069 0.42141 8.49858
328 2QJN KDG 0.003864 0.41682 8.49858
329 4P9Z NMI PTR 02K ASN NH2 0.01233 0.4137 8.54701
330 1ZZ7 S0H 0.01562 0.40917 8.58586
331 2QQ0 THM 0.000502 0.40392 8.69565
332 1Z45 GAL 0.0005407 0.47324 8.86981
333 1Z45 UPG 0.0005164 0.43658 8.86981
334 1B55 4IP 0.006394 0.40829 8.87574
335 2JFV FLC 0.007646 0.4336 8.93471
336 1QH9 LAC 0.001021 0.47455 9.05172
337 1W7J ADP BEF 0.002537 0.4156 9.27152
338 1C7S CBS 0.009129 0.40616 9.34844
339 1KYV RBF 0.001291 0.42642 9.43396
340 1H16 PYR 0.006012 0.45161 9.63173
341 1H16 DTL 0.04591 0.41254 9.63173
342 2W3L DRO 0.001545 0.49011 9.72222
343 1UCN ADP 0.00122 0.43632 9.86842
344 1OGD RIP 0.01243 0.41354 9.92366
345 1Y75 NAG 0.001577 0.44715 10.1695
346 2XI7 XI7 0.0001403 0.57064 10.3261
347 4KCT PYR 0.004558 0.42756 10.4816
348 1RZM E4P 0.006838 0.44204 10.6509
349 1RZM PEP 0.01121 0.41551 10.6509
350 4EXO PYR 0.0002268 0.52324 10.9589
351 2YIV NBN 0.003883 0.45397 11.0482
352 1TFZ 869 0.0001507 0.45101 11.0482
353 1EYE PMM 0.003261 0.4241 11.0714
354 1EYQ NAR 0.01406 0.40671 11.2613
355 4HZO COA 0.01779 0.40668 11.3208
356 1T3D CYS 0.01296 0.42853 11.3314
357 3DER ALA LYS 0.002344 0.4057 11.3314
358 1SC3 MLI 0.01367 0.43359 11.3636
359 2PR5 FMN 0.00137 0.42135 11.3636
360 1GU3 BGC BGC BGC BGC BGC 0.007008 0.42449 11.4094
361 1T0I FMN 0.003117 0.40852 11.5183
362 3TFC PEP 0.01385 0.41148 11.6147
363 2X2T GAL NGA 0.009825 0.44799 11.7647
364 2VDJ HSE 0.02907 0.41695 11.9601
365 2Y6P CTP 0.006237 0.41715 11.9658
366 4JCA CIT 0.0006968 0.51882 11.976
367 2W8Q SIN 0.01232 0.42959 12.1813
368 1EB9 HBA 0.001579 0.43671 12.2137
369 1LNX URI 0.01489 0.41009 12.3457
370 1POC GEL 0.002101 0.41861 12.6866
371 4G28 0W8 0.002161 0.44134 12.7517
372 2FOI JPA 0.001931 0.43815 13.3333
373 1Y9Q MED 0.003783 0.44793 13.5417
374 1LYX PGA 0.001278 0.43553 13.5977
375 1NXJ GLV 0.008057 0.41703 13.6612
376 3CF6 SP1 0.003393 0.41487 13.7725
377 3QDW A2G 0.0009134 0.50206 13.986
378 3QDY CBS 0.0005054 0.49689 13.986
379 3QDW NDG 0.0005788 0.49404 13.986
380 3QDT A2G GAL 0.002009 0.47559 13.986
381 3QDY A2G GAL 0.0241 0.4211 13.986
382 2HV8 GTP 0.001042 0.40712 14.0625
383 1PX8 XYP 0.001367 0.46186 14.1643
384 4B4D FAD 0.001838 0.40932 14.1643
385 4N7C AEF 0.01026 0.43347 14.2045
386 1VQ2 DDN 0.002295 0.4172 14.5078
387 3W8S GSH 0.01684 0.41242 14.5631
388 1ECM TSA 0.003857 0.43065 14.6789
389 2RL1 UD1 0.001045 0.40381 15.5807
390 1WHT BZS 0.007139 0.435 15.6863
391 3ZF8 GDP 0.004231 0.4241 16.3934
392 1Q6O LG6 0.001665 0.42659 16.6667
393 3T2W BTN 0.01117 0.40668 17.2131
394 3NOJ PYR 0.01115 0.41804 17.2269
395 2QLX RM4 0.02002 0.4193 19.4444
396 1JAC AMG 0.008287 0.46003 20
397 3S9K CIT 0.02766 0.43564 21.1864
398 2FYU FDN 0.001944 0.41589 21.7949
399 6FIV 3TL 0.01038 0.40007 23.8938
400 4W6Z ETF 0.004831 0.46417 23.9193
401 1NP0 NGT 0.03322 0.40352 24.1379
402 1PTR PRB 0.0239 0.41554 26
403 1H2M OGA 0.002525 0.45614 38.4615
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