Receptor
PDB id Resolution Class Description Source Keywords
1z5m 2.17 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF N1-[3-[[5-BROMO-2-[[3-[(1-PYRROLIDINYLC AMINO]PHENYL]AMINO]-4-PYRIMIDINYL]AMINO]PROPYL]-2,2- D IMETHYLPROPANEDIAMIDE COMPLEXED WITH HUMAN PDK1 HOMO SAPIENS PROTEIN INHIBITOR COMPLEX SERINE KINASE TRANSFERASE
Ref.: NOVEL SMALL MOLECULE INHIBITORS OF 3-PHOSPHOINOSITIDE-DEPENDENT KINASE-1. J.BIOL.CHEM. V. 280 19867 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:698;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:602;
A:606;
A:607;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
LI8 A:501;
Valid;
none;
ic50 = 30 nM
547.448 C23 H31 Br N8 O3 CC(C)...
SO4 A:600;
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
3RWP 1.92 Å EC: 2.7.11.1 DISCOVERY OF A NOVEL, POTENT AND SELECTIVE INHIBITOR OF 3- PHOSPHOINOSITIDE DEPENDENT KINASE (PDK1) HOMO SAPIENS KINASE DOMAIN TRANSFERASE PHOSPHOSERINE: SEP TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF NOVEL, POTENT, AND SELECTIVE INHIBITOR 3-PHOSPHOINOSITIDE-DEPENDENT KINASE (PDK1). J.MED.CHEM. V. 54 8490 2011
Members (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 129 families.
1 3QD3 ic50 = 1e-08 M 3Q5 C22 H30 N8 O2 C[C@H]1CC[....
2 2BIY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1UU9 ic50 = 3.8 uM BI3 C23 H20 N4 O2 c1ccc2c(c1....
4 1OKY ic50 = 6.5 nM STU C28 H26 N4 O3 C[C@@]12[C....
5 3IOP ic50 = 17 nM 8I1 C28 H27 N5 O3 COc1cc2c3c....
6 2PE1 ic50 = 6 nM 517 C15 H14 N4 O2 CC(c1ccc[n....
7 3RWP Ki = 0.6 nM ABQ C24 H24 F N7 O2 CC(C)n1cc(....
8 3NAX - MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
9 3QCQ ic50 = 1e-08 M 3Q0 C13 H15 N7 CCNc1cc(nc....
10 4A06 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 2XCK ic50 = 713 nM MH4 C29 H33 N9 O Cc1cc(ccn1....
12 3QD4 ic50 = 1e-08 M 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
13 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
14 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
15 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
16 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3QD0 ic50 = 1e-08 M 3Q4 C24 H26 N8 O C[C@@H]1CC....
18 3ORZ - BI4 C27 H26 N4 O2 C[N@]1CCC[....
19 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
21 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
22 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
23 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
24 3OTU - BI4 C27 H26 N4 O2 C[N@]1CCC[....
25 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
26 3QCS ic50 = 1e-08 M 3Q1 C15 H17 N7 O c1cc2c(cc1....
27 3QCX ic50 = 1e-08 M 3Q2 C16 H19 N7 O C[C@@H]1CO....
28 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
29 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
30 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
31 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
32 3QCY ic50 = 1e-08 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
33 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
34 4CT1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
35 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
36 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
37 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1[....
70% Homology Family (37)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 94 families.
1 3QD3 ic50 = 1e-08 M 3Q5 C22 H30 N8 O2 C[C@H]1CC[....
2 2BIY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1UU9 ic50 = 3.8 uM BI3 C23 H20 N4 O2 c1ccc2c(c1....
4 1OKY ic50 = 6.5 nM STU C28 H26 N4 O3 C[C@@]12[C....
5 3IOP ic50 = 17 nM 8I1 C28 H27 N5 O3 COc1cc2c3c....
6 2PE1 ic50 = 6 nM 517 C15 H14 N4 O2 CC(c1ccc[n....
7 3RWP Ki = 0.6 nM ABQ C24 H24 F N7 O2 CC(C)n1cc(....
8 3NAX - MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
9 3QCQ ic50 = 1e-08 M 3Q0 C13 H15 N7 CCNc1cc(nc....
10 4A06 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 2XCK ic50 = 713 nM MH4 C29 H33 N9 O Cc1cc(ccn1....
12 3QD4 ic50 = 1e-08 M 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
13 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
14 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
15 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
16 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 3QD0 ic50 = 1e-08 M 3Q4 C24 H26 N8 O C[C@@H]1CC....
18 3ORZ - BI4 C27 H26 N4 O2 C[N@]1CCC[....
19 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
21 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
22 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
23 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
24 3OTU - BI4 C27 H26 N4 O2 C[N@]1CCC[....
25 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
26 3QCS ic50 = 1e-08 M 3Q1 C15 H17 N7 O c1cc2c(cc1....
27 3QCX ic50 = 1e-08 M 3Q2 C16 H19 N7 O C[C@@H]1CO....
28 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
29 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
30 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
31 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
32 3QCY ic50 = 1e-08 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
33 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
34 4CT1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
35 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
36 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
37 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1[....
50% Homology Family (385)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 68 families.
1 3UOD Kd = 49 nM 0C3 C18 H13 F3 N4 O2 c1ccc(c(c1....
2 4UZH ic50 = 9800 nM JVE C15 H13 F N4 O c1ccc(c(c1....
3 3EFW - AK8 C25 H21 F3 N6 O2 Cc1cc(ccc1....
4 3UO4 Kd = 299 nM 0C0 C23 H18 N4 O2 c1ccc(cc1)....
5 3UP2 Kd = 40 nM 0C8 C18 H13 F3 N4 O3 c1ccc(c(c1....
6 2C6E - HPM C28 H31 N7 O4 COc1cc2c(c....
7 3H0Y ic50 = 0.006 uM 48B C23 H17 Cl F N5 O2 c1ccc(c(c1....
8 4B0G ic50 = 0.015 uM VEK C19 H21 Br N8 O Cc1cc(no1)....
9 4JBP ic50 = 41 nM YPH C34 H36 N6 O4 c1ccc(cc1)....
10 3H10 - 97B C30 H25 Cl F2 N6 O CN1CCN(CC1....
11 3DJ5 - AK5 C21 H20 Br N5 O3 S COc1ccc(cc....
12 3UOL ic50 = 3.1 nM 0C7 C17 H13 Cl N8 c1ccc(c(c1....
13 3D14 ic50 = 22 nM AK1 C19 H15 F3 N6 O S2 c1cc(cc(c1....
14 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 4BN1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 2NP8 ic50 = 42 nM CC3 C21 H18 F3 N5 O c1cc(cc(c1....
17 4JBQ - VX6 C23 H28 N8 O S Cc1cc([nH]....
18 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
19 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 4UYN ic50 = 2 nM Y3M C25 H22 N4 O4 S CCOC(=O)c1....
21 2WTV Ki = 1.8 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
22 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
23 4J8M ic50 = 48 nM CJ5 C26 H25 F3 N8 O c1cc(cc(c1....
24 3O50 - LJE C24 H17 F3 N4 O2 Cc1cc(ccc1....
25 2J4Z ic50 = 65 nM 626 C23 H24 N6 O2 S CN1CCN(CC1....
26 3LAU ic50 = 0.044 uM OFI C17 H17 N3 O2 CCCC(=O)Nc....
27 4DEA ic50 = 256 nM NHI C18 H14 N4 O4 c1cc(ccc1C....
28 3DAJ ic50 = 2.9 uM FXG C22 H29 N7 O2 CCCCNC(=O)....
29 4JBO ic50 = 24 nM WPH C31 H32 N6 O3 CN(C)CCOc1....
30 2C6D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
31 4DEE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
32 3K5U ic50 = 309 nM PFQ C20 H17 N3 O2 c1ccc(cc1)....
33 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
34 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
35 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
36 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
37 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
38 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
39 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
40 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
41 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
42 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
43 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
44 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
45 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
46 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
47 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
48 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
49 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
50 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
51 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
52 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
53 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
54 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
55 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
56 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
57 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
58 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
59 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
60 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
61 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
62 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
63 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
64 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
65 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
66 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
67 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
68 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
69 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
70 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
71 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
72 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
73 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
74 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
75 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
76 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
77 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
78 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
79 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
80 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
81 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
82 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
83 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
84 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
85 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
86 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
87 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
88 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
89 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
90 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
91 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
92 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
93 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
94 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
95 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
96 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
97 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
98 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
99 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
100 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
101 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
102 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
103 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
104 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
105 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
106 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
107 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
108 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
109 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
110 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
111 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
112 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
113 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
114 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
115 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
116 1H08 - BYP BWP n/a n/a
117 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
118 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
119 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
120 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
121 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
122 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
123 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
124 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
125 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
126 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
127 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
128 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
129 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
130 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
131 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
132 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
133 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
134 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
135 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
136 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
137 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
138 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
139 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
140 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
141 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
142 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
143 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
144 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
145 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
146 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
147 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
148 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
149 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
150 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
151 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
152 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
153 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
154 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
155 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
156 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
157 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
158 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
159 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
160 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
161 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
162 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
163 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
164 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
165 2E9O ic50 = 20 nM A58 C25 H27 N3 O2 CC1CCC(CC1....
166 2WMQ - ZYQ C9 H11 N3 O2 S CC(=O)Nc1n....
167 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
168 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
169 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
170 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
171 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
172 2BRO ic50 = 1.4 uM DF2 C21 H20 N4 O2 c1ccc(cc1)....
173 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
174 2YM5 ic50 = 0.43 uM YM5 C18 H21 N5 O2 c1cc(cc(c1....
175 4HYH ic50 = 1 nM 1AM C22 H22 N6 O3 S COc1ccc2c(....
176 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
177 1NVS Ki = 15 nM UCM C24 H15 N3 O3 c1ccc2c(c1....
178 2YDK ic50 = 0.007 uM YDK C17 H20 N4 O2 S c1ccc(cc1)....
179 3OT3 ic50 = 0.005 uM 22K C16 H20 Br N7 Cn1cc(cn1)....
180 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
181 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
182 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
183 2BRH ic50 = 22 uM DFW C20 H15 N3 O3 c1ccc(cc1)....
184 1NVR Ki = 7.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
185 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
186 3OT8 ic50 = 0.009 uM MI5 C19 H22 N8 S Cc1cc(sn1)....
187 2YM4 ic50 = 1.5 uM 4YM C21 H22 N6 O3 CCOC(=O)c1....
188 4HYI ic50 = 2 nM 1AO C21 H20 N6 O S c1ccc2c(c1....
189 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
190 3JVS Ki = 0.146 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
191 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
192 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
193 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
194 2C3L Ki = 0.026 uM IDZ C14 H10 N4 c1ccc2c(c1....
195 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
196 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
197 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
198 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
199 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
200 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
201 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
202 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 C[C@@]12[C....
203 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
204 2E9N ic50 = 6.2 nM 76A C29 H27 N3 O3 c1cc(ccc1c....
205 2YM3 ic50 = 1.2 uM YM3 C14 H19 N5 O3 CCOC(=O)c1....
206 2YDI - YDI C16 H20 N4 O3 S CN(C)CCOc1....
207 3EHA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
208 1JKL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
209 1JKK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
210 3F5G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
211 3F5U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
212 1P4F - DRG C12 H11 N3 c1ccc-2c(c....
213 4TXC Kd = 0.24 uM 38G C24 H27 N5 O3 CN(C)CCN[C....
214 2YAK ic50 = 2 nM OSV C27 H31 F N4 O3 Ru S4 CC(C)Oc1cc....
215 3EH9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
216 1IG1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
217 3SHE - I85 C24 H22 F3 N5 O2 c1cc(cc(c1....
218 3R1N - 05B C22 H21 N5 O3 c1cc2c(cc1....
219 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
220 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
221 3BWJ ic50 = 2.6 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
222 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
223 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
224 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
225 2VZ6 - FEF C20 H19 N3 O4 c1ccc2c(c1....
226 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
227 2Z7R ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
228 3QD4 ic50 = 1e-08 M 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
229 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
230 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
231 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
232 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
233 3QD0 ic50 = 1e-08 M 3Q4 C24 H26 N8 O C[C@@H]1CC....
234 3ORZ - BI4 C27 H26 N4 O2 C[N@]1CCC[....
235 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
236 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
237 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
238 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
239 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
240 3OTU - BI4 C27 H26 N4 O2 C[N@]1CCC[....
241 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
242 3QCS ic50 = 1e-08 M 3Q1 C15 H17 N7 O c1cc2c(cc1....
243 3QCX ic50 = 1e-08 M 3Q2 C16 H19 N7 O C[C@@H]1CO....
244 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
245 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
246 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
247 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
248 3QCY ic50 = 1e-08 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
249 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
250 4CT1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
251 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
252 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
253 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1[....
254 4KS7 - X4Z C25 H28 N8 O S Cc1nc2ccsc....
255 4KS8 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
256 4DGO ic50 = 0.57 uM 0JW C10 H10 N2 O3 c1cc(c(cc1....
257 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
258 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
259 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
260 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
261 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
262 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
263 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
264 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
265 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
266 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
267 3SLS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
268 4AUA ic50 = 7.2 uM 4AU C12 H9 N3 O c1ccc2c(c1....
269 2QHN ic50 = 980 nM 582 C13 H13 N3 O CCN1c2cccc....
270 3TKI ic50 = 0.05 nM S25 C20 H23 N7 O2 S c1cnc(cc1N....
271 2HXQ ic50 = 144 nM 373 C24 H26 N4 O c1ccc2c(c1....
272 2QHM ic50 = 660 nM 7CS C16 H19 N3 O2 CN1[C@H]2C....
273 2R0U ic50 = 1 nM M54 C25 H22 N4 O2 c1cc(cc(c1....
274 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
275 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
276 2HOG ic50 = 0.3 nM 710 C24 H25 N7 O c1cc2c(cc1....
277 2XK6 - EQH C18 H21 N3 O2 S c1csc(c1C2....
278 2WQO - VGK C21 H20 N2 O5 COc1cc(cc(....
279 2XKE ic50 = 4.2 uM WI2 C17 H20 N4 O3 COc1cccc(c....
280 2XNN - 430 C21 H16 F3 N3 O2 S C[C@H](c1c....
281 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CC[C@H]1C[....
282 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
283 2J7T - 274 C28 H30 Cl N5 O4 S Cc1c([nH]c....
284 3GGF - GVD C22 H19 N7 c1ccc2c(c1....
285 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
286 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
287 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
288 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
289 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
290 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
291 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
292 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
293 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
294 4OBO ic50 = 0.077 uM 2QV C14 H10 Cl N3 c1cc(cc(c1....
295 4U44 ic50 = 0.008 uM 3D9 C17 H13 N5 c1ccc(cc1)....
296 3DAK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
297 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
298 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
299 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
300 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
301 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
302 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
303 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
304 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
305 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
306 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
307 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
308 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
309 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
310 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
311 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
312 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
313 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
314 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
315 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
316 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
317 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
318 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
319 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
320 4JDI - ARG ARG ARG ARG SER TRP TYR n/a n/a
321 3A7H - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
322 3A7J - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
323 3A7I - ADE C5 H5 N5 c1[nH]c2c(....
324 1U5R - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
325 3EQC - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
326 3EQH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
327 3EQI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
328 2J51 - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
329 2UV2 - GVD C22 H19 N7 c1ccc2c(c1....
330 2JFL - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
331 4FG9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
332 4FG8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
333 4JQE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
334 1QL6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
335 1PHK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
336 2F57 - 23D C19 H24 Cl N7 CCn1cnc2c1....
337 1XJD Ki = 0.33 nM STU C28 H26 N4 O3 C[C@@]12[C....
338 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
339 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
340 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
341 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
342 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
343 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
344 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
345 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
346 4OTI ic50 = 43 nM MI1 C16 H20 N6 O C[C@@H]1CC....
347 2VN9 - GVD C22 H19 N7 c1ccc2c(c1....
348 4EJN ic50 = 0.005 uM 0R4 C33 H26 F N7 O2 CC(=O)Nc1c....
349 2V7O - DRN C25 H23 N5 O2 S [H]/N=C(/N....
350 2WEI ic50 = 3.4 nM VGG C17 H21 N5 Cc1cccc(c1....
351 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
352 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
353 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
354 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
355 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(C[C....
356 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
357 3CQU ic50 = 151 nM CQU C15 H13 N7 Cc1[nH]c(n....
358 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
359 4O0R Ki = 0.036 uM X4Z C25 H28 N8 O S Cc1nc2ccsc....
360 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
361 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
362 3FXZ ic50 = 130 nM FLL C30 H18 Cl F N5 O4 Ru c1ccc(cc1)....
363 3Q4Z - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
364 3GC0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
365 3MFU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
366 3C0I - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
367 3MFS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
368 3MFR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
369 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
370 4OTH ic50 = 9 nM DRN C25 H23 N5 O2 S [H]/N=C(/N....
371 2J90 - IZA C18 H16 F N3 O CC(C)(C)c1....
372 3BHY - 7CP C18 H18 Cl2 N4 O Cn1c2c(ccc....
373 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
374 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
375 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
376 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
377 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
378 2X4Z Ki = 18.7 nM X4Z C25 H28 N8 O S Cc1nc2ccsc....
379 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
380 2CDZ - 23D C19 H24 Cl N7 CCn1cnc2c1....
381 3A8W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
382 3AQV - TAK C24 H25 N5 O c1cc(ccc1c....
383 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
384 2YAB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
385 2YAA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LI8; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 LI8 1 1
2 BX7 0.539823 0.805195
Similar Binding Sites
Pocket no: 1; Query (leader) PDB : 3RWP; Ligand: ABQ; Similar sites found: 490
This union binding pocket (no: 1) in the query (biounit: 3rwp.bio1) has 51 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3RWP ABQ 3.39e-23 1
2 2GU8 796 4.427e-10 0.59991
3 4F4P 0SB 8.373e-11 0.56529
4 3IOK 1P6 2.088e-10 0.56471
5 2BPM 529 1.453e-09 0.55926
6 4MXO DB8 9.986e-10 0.55487
7 2JDR GLY 7.485e-09 0.55425
8 1OUK 084 1.647e-07 0.55157
9 3KF4 B90 8.507e-10 0.54988
10 1RE8 BD2 5.264e-09 0.54601
11 1PME SB2 2.006e-09 0.54039
12 4F65 0S9 7.148e-10 0.53863
13 3LQ8 88Z 9.255e-09 0.53301
14 3MVH GLY 2.061e-08 0.52807
15 2XMY CDK 7.14e-08 0.52498
16 2WTV ZZL 9.565e-08 0.52453
17 3BZ3 YAM 6.722e-09 0.52447
18 4NWM 2P5 2.249e-08 0.52115
19 2XB7 GUI 9.563e-10 0.51952
20 4P5Z Q7M 2.821e-08 0.51708
21 4IWD 1JC 9.508e-10 0.51092
22 2JLD AG1 1.154e-09 0.5042
23 4AG8 AXI 1.577e-09 0.50416
24 3THB 3TA 1.996e-09 0.49955
25 4C2V YJA 1.712e-09 0.49645
26 3E8N ATP 1.434e-07 0.49129
27 2YAK OSV 3.016e-10 0.49052
28 4NW6 2NS 1.728e-09 0.4901
29 3PVW QRX 5.531e-10 0.4833
30 4BKY 82B 5.202e-12 0.48125
31 2EVA ADN 1.486e-09 0.48024
32 2Z7R STU 1.012e-11 0.47734
33 2OFV 242 8.497e-08 0.47556
34 3VHE 42Q 2.974e-09 0.4743
35 4QTB 38Z 4.387e-09 0.4724
36 4NM5 ADP 1.938e-07 0.47211
37 4U0I 0LI 2.417e-06 0.47032
38 3V8T 477 3.03e-07 0.46904
39 3AT4 CCK 1.157e-07 0.46452
40 3RI1 3RH 3.525e-10 0.46355
41 3VBQ 0F5 3.73e-07 0.46224
42 3TKI S25 2.091e-10 0.46094
43 3NW7 LGV 4.224e-07 0.45813
44 1XKK FMM 8.118e-08 0.45763
45 4EQC XR1 5.486e-08 0.45755
46 2X4Z X4Z 5.701e-08 0.45672
47 4GJ3 0XP 1.856e-08 0.45638
48 3FHI ANP 3.089e-08 0.44966
49 3LXK MI1 8.96e-08 0.44944
50 2X2M X2M 5.448e-10 0.44924
51 4WHZ 3NL 3.999e-05 0.44821
52 2PVN P63 9.175e-08 0.4477
53 3KRL KRL 1.806e-08 0.44664
54 4BHN BH9 3.793e-09 0.44363
55 3E5A VX6 3.667e-08 0.44293
56 4ASE AV9 9.35e-09 0.44207
57 3U6H 03X 5.221e-07 0.44157
58 2XVD AS6 6.502e-08 0.44015
59 3IDB ANP 5.648e-09 0.43875
60 1PHK ATP 4.541e-10 0.43843
61 3SXF BK5 5.939e-07 0.4344
62 3EQR T74 2.789e-08 0.43292
63 3E7O 35F 1.283e-07 0.43035
64 4EUU BX7 2.785e-08 0.43033
65 2QCS ANP 1.367e-07 0.42824
66 4E93 GUI 7.216e-06 0.42786
67 4I5C C5I 5.265e-09 0.42727
68 4MQ1 2C3 1.437e-08 0.4266
69 3LXN MI1 5.996e-09 0.42618
70 1XJD STU 2.203e-09 0.42537
71 4E6D 0NU 6.529e-09 0.42513
72 3ORK AGS 1.77e-07 0.42493
73 1VJY 460 1.205e-07 0.42482
74 4DCE 0JF 5.355e-09 0.42471
75 4QTC 38Z 1.162e-07 0.42449
76 4FL3 ANP 3.214e-08 0.42284
77 3BQC EMO 3.182e-08 0.42214
78 4OTH DRN 1.222e-09 0.42128
79 4UXQ 0LI 8.644e-07 0.42014
80 3RGF BAX 1.309e-07 0.41898
81 3EKK GS2 2.48e-08 0.41822
82 2XNM WGZ 4.285e-07 0.41729
83 4OTI MI1 3.862e-09 0.41686
84 3F7Z 34O 1.721e-09 0.4164
85 2J90 IZA 3.253e-09 0.41532
86 4IVD 15T 2.535e-08 0.41527
87 2WU6 DKI 3.633e-08 0.41478
88 2PVF ACP 5.743e-09 0.41456
89 1V0O INR 3.977e-08 0.41439
90 2B9F ADP 5.876e-08 0.41426
91 2NRY STU 3.466e-09 0.41398
92 4E6Q 0NV 2.076e-08 0.41394
93 4E1Z 0MX 5.508e-08 0.41369
94 3BI6 396 3.42e-08 0.4129
95 4L3L 5FI 1.146e-07 0.41277
96 3VRY B43 1.148e-06 0.41186
97 2B9I ADP 3.237e-08 0.41099
98 4KS7 X4Z 6.281e-08 0.41085
99 3C1X CKK 1.368e-07 0.41002
100 4FG8 ATP 1.179e-07 0.40995
101 2YAB AMP 1.637e-08 0.40983
102 4MK0 29X 3.472e-07 0.40966
103 2OO8 RAJ 5.101e-07 0.4088
104 3PLS ANP 3.174e-09 0.40851
105 1Q8Y ADP 1.391e-07 0.40843
106 3EYG MI1 2.949e-08 0.40714
107 4F99 ADP 2.171e-08 0.40593
108 4E4N 0NL 4.529e-08 0.40566
109 3ZOS 0LI 3.069e-05 0.40537
110 4MKC 4MK 4.298e-08 0.40521
111 4O1P ANP 1.69e-08 0.40389
112 4IZY 1J2 4.421e-07 0.40351
113 4H1M 0YJ 1.851e-05 0.40342
114 3IGO ANP 1.913e-07 0.40255
115 4JDI ARG 4.663e-05 0.40224
116 3SXS PP2 1.072e-07 0.40055
117 3A8W ATP 3.776e-08 0.40026
118 3PP0 03Q 1.163e-06 0.39916
119 2RIO ADP 9.904e-08 0.3991
120 3EYH IZA 4.834e-08 0.39883
121 2B9H ADP 6.625e-08 0.39865
122 2VAG V25 2.333e-08 0.39737
123 2B9J ADP 9.125e-08 0.39705
124 2H8H H8H 5.825e-08 0.39678
125 2OIC STU 2.187e-09 0.3967
126 4H3Q ANP 4.497e-07 0.39644
127 4CD0 AWJ 1.553e-07 0.3962
128 4OAV ACP 5.311e-08 0.39612
129 4CFU 2WC 3.746e-09 0.39483
130 4LFI GNP 3.614e-07 0.3947
131 3FHR P4O 8.177e-08 0.39469
132 3GNI ATP 1.447e-07 0.39451
133 4OAC ADP 1.038e-07 0.39408
134 3V8S 0HD 3.717e-09 0.3938
135 4QPM ADP 6.773e-07 0.39329
136 4BBF O19 3.761e-08 0.39317
137 4F9A ADP 5.612e-08 0.39283
138 1Y57 MPZ 4.027e-07 0.39233
139 3GQI ACP 5.6e-08 0.39202
140 4OH4 ANP 2.365e-07 0.3918
141 1U5R ATP 2.426e-08 0.39131
142 4IVC 1J6 8.487e-08 0.39128
143 1UNH IXM 4.338e-08 0.39114
144 3SG8 TOY 5.724e-05 0.39077
145 3BE2 RAJ 3.48e-06 0.39066
146 3SRV S19 1.824e-08 0.39
147 1U59 STU 2.913e-09 0.38946
148 4M69 ANP 2.429e-06 0.38895
149 3C0I 3AM 4.476e-08 0.38888
150 3M2W L8I 1.355e-08 0.38876
151 2Y6O 1N1 2.594e-07 0.38844
152 1BYG STU 1.527e-08 0.38837
153 4JR7 GNP 1.884e-07 0.38803
154 4U44 3D9 1.483e-07 0.3875
155 2QU6 857 2.046e-06 0.3873
156 4C4F 7CE 1.249e-07 0.38663
157 4EWH T77 1.801e-07 0.38584
158 4FOB 0US 2.924e-07 0.38574
159 4BTK DTQ 1.495e-06 0.38554
160 4IJP 1EH 4.662e-07 0.38524
161 3HMO STU 7.349e-08 0.38471
162 2CSN CKI 0.00206 0.38388
163 3SLS ANP 1.63e-06 0.38342
164 4CMT GWH 3.823e-07 0.38283
165 4NST ADP 2.535e-07 0.38185
166 4KNB 1RU 2.522e-07 0.38169
167 3TDV GDP 2.74e-06 0.38055
168 4AOI 4K0 4.081e-07 0.38036
169 3O0G 3O0 7.334e-08 0.38004
170 4BFM ANP 1.245e-07 0.37986
171 4CTB KVC 2.179e-07 0.37958
172 3DLS ADP 2.46e-07 0.37939
173 4IVB 1J5 1.812e-07 0.37917
174 2ZV2 609 1.35e-08 0.37917
175 3TTI KBI 1.712e-06 0.37892
176 4E5W 0NT 5.911e-07 0.37778
177 3LKM AMP 1.159e-05 0.37741
178 2P2H 994 6.553e-08 0.37727
179 2R5T ANP 2.391e-07 0.37666
180 1Q8Y ADE 3.418e-07 0.37592
181 4JQE ANP 1.853e-07 0.37483
182 4C2W ANP 3.811e-09 0.37454
183 3A7H ATP 9.932e-07 0.37437
184 4MWH ATP 3.623e-06 0.37423
185 4IDT T28 4.753e-07 0.37371
186 4CKR DI1 2.598e-05 0.37371
187 4K1B 1OC 7.575e-08 0.37331
188 2HK5 1BM 5.356e-07 0.37319
189 2NRU T12 5.011e-07 0.3727
190 4BCM T7Z 9.091e-08 0.37218
191 3TZM 085 3.691e-07 0.37217
192 4PMP 31W 1.093e-06 0.37199
193 4H3P ANP 1.338e-07 0.37054
194 4CQE CQE 2.068e-06 0.37023
195 2V7O DRN 1.655e-08 0.37001
196 1TQP ATP 2.997e-05 0.36996
197 4BCN T9N 1.911e-07 0.3699
198 4EYM 0RX 1.362e-06 0.36968
199 3EFK MT4 3.887e-05 0.36905
200 2XK9 XK9 0.01025 0.36866
201 3UIM ANP 4.262e-07 0.36865
202 4E4L 0NH 3.669e-07 0.36804
203 1OPK P16 5.407e-06 0.36768
204 3ZRM ZRM 6.736e-07 0.36755
205 4OA2 ADP 4.662e-07 0.36745
206 4F9C 0SX 2.751e-07 0.36696
207 1ZP9 ATP 1.443e-06 0.366
208 4CLI 5P8 2.877e-07 0.36589
209 4N70 2HX 3.81e-07 0.36538
210 2OID ANP 1.031e-06 0.36534
211 4K77 1Q4 1.046e-07 0.36516
212 2P2I 608 5.881e-05 0.36509
213 3ALN ANP 6.265e-06 0.36479
214 3RE4 TO1 3.49e-06 0.36446
215 4LRJ ANP 5.803e-07 0.36393
216 4FVQ ATP 2.859e-06 0.3636
217 4I94 ANP 2.633e-06 0.36319
218 3GC8 B45 6.569e-06 0.36267
219 3QUP LUN 2.021e-06 0.36254
220 4OUC 5ID 1.903e-06 0.36242
221 4N6Z 2HW 8.425e-08 0.36226
222 4CCU AWF 1.048e-06 0.36159
223 3FI3 JK2 0.0001637 0.36129
224 1CM8 ANP 1.868e-06 0.36057
225 3PE2 E1B 7.589e-07 0.36047
226 4X2J 3WN 6.773e-07 0.3603
227 4X2K 3WO 6.773e-07 0.3603
228 4OCJ NDG 0.00121 0.36014
229 3GGF GVD 1.854e-07 0.35964
230 4CTC J99 1.465e-06 0.35902
231 2ZM3 575 1.879e-07 0.35762
232 2J7T 274 0.008273 0.35756
233 3UDZ ADP 1.976e-05 0.35687
234 4ORK GDP 1.062e-05 0.35665
235 1IA9 ANP 5.279e-05 0.3566
236 4GW8 3RA 3.397e-07 0.35617
237 4CLJ 5P8 1.577e-06 0.35608
238 4PMM 31V 1.775e-05 0.35602
239 4I6H 1C8 6.19e-06 0.35601
240 4CYI ATP 1.707e-05 0.35558
241 1XR1 ANP 6.055e-07 0.35529
242 2WQN ADP 4.68e-07 0.35528
243 3ZBF VGH 3.475e-06 0.35524
244 4IX4 ADP 5.693e-05 0.3548
245 4ANW O92 0.001109 0.35458
246 4O4F ATP 0.000406 0.35429
247 4CMO YPW 4.793e-07 0.35425
248 3TXO 07U 2.031e-07 0.35413
249 3Q60 ATP 6.339e-06 0.35393
250 4FOC 0UU 1.033e-06 0.35365
251 3BRB ADP 3.815e-06 0.3522
252 4CCB OFG 1.12e-06 0.35177
253 3KN5 ANP 5.071e-07 0.35106
254 4FK6 0UJ 8.409e-06 0.35071
255 4PNI KQQ 0.03282 0.35048
256 3E85 BSU 0.00582 0.3504
257 3PDT ADP 3.795e-05 0.35015
258 3R0T FU9 4.46e-06 0.34849
259 3DAK ANP 6.941e-07 0.34832
260 4EI4 0Q2 6.174e-07 0.34816
261 3BU5 ATP 2.525e-07 0.3481
262 2VN9 GVD 7.773e-09 0.34805
263 2PUL ACP 1.811e-05 0.34794
264 2A19 ANP 1.058e-07 0.34778
265 2RFN AM7 6.132e-05 0.34775
266 2VZ6 FEF 4.195e-06 0.34744
267 3GC0 AMP 4.31e-07 0.34686
268 4LOO SB4 2.075e-05 0.34664
269 1ZTH ADP 4.028e-06 0.34635
270 4BBE 3O4 6.856e-08 0.3462
271 4OCV ANP 0.0002959 0.34606
272 4Q5H ANP 9.181e-05 0.3458
273 4EHZ JAK 3.234e-06 0.3455
274 3TM0 ANP 0.003845 0.34462
275 1WBP ADP 1.764e-08 0.34362
276 3PE1 3NG 5.916e-06 0.3435
277 3CXW 7CP 7.339e-07 0.3433
278 4TW9 386 2.162e-05 0.34317
279 3CY2 MB9 6.117e-08 0.3415
280 3W0O ADP 0.00298 0.34063
281 2PYW ADP 4.267e-05 0.34052
282 4PMT 31Y 4.301e-05 0.3405
283 1PK8 ATP 0.001443 0.34013
284 4F9B 0SY 1.668e-06 0.34006
285 4F0F ACP 7.282e-06 0.33974
286 4JX7 1N6 5.112e-06 0.33912
287 4CMU IV7 2.725e-06 0.33869
288 1ZY5 ANP 8.118e-06 0.33775
289 4C58 824 0.007763 0.33748
290 3VPB ADP 0.004659 0.33726
291 4NJH 2K8 0.005862 0.33622
292 3H9R TAK 1.014e-05 0.33529
293 4NFN 2KC 4.562e-05 0.33462
294 4TWC 37J 6.279e-05 0.33454
295 4MBI 26K 4.985e-07 0.33403
296 1MQB ANP 5.628e-06 0.33361
297 3HAV ATP 0.001329 0.33352
298 4GRB 0XG 1.938e-06 0.33216
299 2IO8 ADP 0.001868 0.33192
300 3KJS NAP 0.04753 0.33101
301 3PTG 932 1.46e-06 0.33073
302 1IOW ADP 0.0116 0.32963
303 4DEH 0JK 2.701e-05 0.32944
304 4GYI ADP 0.0001274 0.32929
305 4AU8 Z3R 1.829e-05 0.32925
306 3C0G 3AM 9.204e-08 0.32853
307 2WEI VGG 2.627e-05 0.3273
308 4BCQ TJF 4.68e-06 0.32703
309 1I7L ATP 0.0008234 0.32681
310 3UYT 0CK 5.586e-05 0.32647
311 4F1M ACP 1.438e-05 0.32634
312 2AQX ATP 0.001548 0.32609
313 4G16 0VM 6.996e-05 0.32608
314 3KMW ATP 0.00037 0.32603
315 2WXG ZZN 0.007162 0.32585
316 1Z2P ACP 0.01303 0.32576
317 4BKJ STI 0.001613 0.32534
318 3UZP 0CK 2.378e-05 0.32521
319 3T7A ADP 0.04455 0.32512
320 4AZW ATP 0.00125 0.32424
321 1K3A ACP 1.625e-05 0.32396
322 4DC2 ADE 5.038e-07 0.32341
323 4HNF 16W 1.74e-06 0.32265
324 2BKK ADP 0.0003787 0.32262
325 3C0H AMP 4.887e-08 0.32261
326 2VPQ ANP 0.004781 0.32133
327 4PU5 ANP 0.006853 0.32114
328 4DJA FAD 0.02377 0.32105
329 3AQV TAK 6.735e-05 0.32075
330 2Q7D ANP 0.008404 0.3203
331 3DNT ATP 0.00964 0.32004
332 3E2M E2M 0.01362 0.31992
333 4ITH RCM 0.0003125 0.31828
334 3I0O ADP 0.001143 0.31824
335 3G9E RO7 0.04586 0.31811
336 4FHD EEM 0.03209 0.31777
337 3WVR AMP 0.002107 0.31732
338 2VQD AP2 0.008541 0.31727
339 3AKK ADP 0.002098 0.31708
340 4G17 0VN 0.0004699 0.31679
341 2J51 DKI 0.0211 0.31674
342 3OWL 19E 8.274e-06 0.31581
343 3VDQ NAD 0.02952 0.31566
344 4KWP EXX 4.56e-05 0.31459
345 1W2D 4IP 0.008191 0.31363
346 4KBA 1QM 0.0008241 0.31359
347 2C94 TSF 0.02435 0.31309
348 4X0M 3WA 1.366e-06 0.31295
349 4CNH 3U9 8.071e-06 0.31294
350 2O2U 738 1.1e-05 0.31171
351 3JPV 1DR 3.022e-06 0.31161
352 2GQR ADP 0.0002757 0.31157
353 2YW2 ATP 0.007674 0.31157
354 3VPC ADP 0.01389 0.31146
355 2GQS C2R 0.0018 0.31107
356 3HZT J60 8.69e-05 0.31104
357 2GQS ADP 0.0005678 0.31083
358 1EHI ADP 0.00766 0.31062
359 1KGI T4A 0.01573 0.31004
360 3VOT ADP 0.003087 0.30987
361 4FF8 14S 3.416e-05 0.30963
362 3OFM 4B0 2.948e-06 0.30881
363 2WEL K88 3.708e-07 0.30877
364 3OV6 MK0 0.02021 0.30852
365 4O2B ACP 0.01305 0.3085
366 3IX8 TX3 0.02313 0.30828
367 2YG2 FLC 0.02401 0.30821
368 1QY1 PRZ 0.005617 0.30753
369 1TT8 PHB 0.0157 0.30751
370 3OWK 18E 1.456e-05 0.30452
371 3T50 FMN 0.01989 0.30444
372 2V1O COA 0.0193 0.30412
373 4F1O ACP 8.063e-05 0.30397
374 4KBC 1QJ 2.367e-05 0.3031
375 3K3K A8S 0.03029 0.30215
376 3IAL PR8 0.0481 0.30177
377 3ZCN ATP 0.01432 0.30139
378 3SLS 77D 0.002687 0.30102
379 2PZI AXX 0.001166 0.30079
380 4IAW LIZ 0.001844 0.29843
381 2QLU ADE 3.973e-06 0.29799
382 3KDJ A8S 0.03909 0.29719
383 2PX8 SAH 0.0211 0.29688
384 4EES FMN 0.03968 0.29568
385 3TII ANP 0.003857 0.29488
386 2Z6D FMN 0.03007 0.29479
387 4AUA 4AU 7.007e-05 0.29463
388 2RDE C2E 0.007403 0.29377
389 2IF8 ADP 0.0001371 0.29328
390 3SAO DBH 0.002352 0.29274
391 2TPI ILE 0.03811 0.2921
392 2J9D ADP 0.04667 0.29206
393 3DZ6 M8E 0.03235 0.29145
394 3KYF 5GP 0.01983 0.29133
395 3MKN DNB 0.01581 0.2913
396 3PN1 IVH 0.0147 0.29122
397 3MB6 01I 2.384e-05 0.29014
398 1CM0 COA 0.0474 0.29014
399 1RDS GPC 0.04635 0.29006
400 4B3B ACE 0.009987 0.28998
401 2IU8 PLM 0.02843 0.2895
402 4BVM PLM 0.03706 0.28949
403 4HIA FMN 0.04042 0.28942
404 2EW1 GNP 0.04757 0.28922
405 3WAR NIO 2.794e-06 0.28843
406 4MZQ 1VU 0.01363 0.28799
407 2A8Y MTA 0.03233 0.28783
408 2OXY K17 0.0001035 0.28761
409 4F1T H52 0.001419 0.28741
410 3BEJ MUF 0.04802 0.28645
411 2GC0 PAN 0.04392 0.28637
412 4H2X G5A 0.02611 0.28603
413 4JMO JAF 0.007273 0.28582
414 1BZY IMU 0.02925 0.28571
415 1SN0 T44 0.01731 0.28505
416 2R5V HHH 0.009236 0.28417
417 4RLL E91 0.0001491 0.2834
418 4FE2 AIR 0.01268 0.28338
419 2BOS GLA 0.0212 0.28154
420 2BOS GLA 0.02776 0.28147
421 3QG6 SER 0.03607 0.28131
422 2RH1 CAU 0.0304 0.28063
423 4OHT NAP 0.04823 0.28047
424 4G31 0WH 0.0001172 0.28023
425 2BJ4 OHT 0.03907 0.28016
426 3SAO NKN 0.01046 0.28003
427 1RE0 AFB 0.03437 0.28
428 1RGE 2GP 0.04368 0.27943
429 4DSU BZI 0.002907 0.27899
430 3TY5 ATP 0.01346 0.27838
431 1TZD ADP 0.001683 0.27791
432 1EAP HEP 0.03619 0.2776
433 2QK4 ATP 0.02116 0.27704
434 4NS0 PIO 0.001759 0.27655
435 1W9O ASN 0.03303 0.27651
436 2HJ4 PNZ 0.04687 0.27632
437 3PGU OLA 0.0374 0.27516
438 2BCG GER 0.03419 0.27496
439 2XZ9 PYR 0.02008 0.27464
440 3ZKN WZV 0.04448 0.27408
441 4DFU QUE 0.02814 0.27393
442 1NKI PPF 0.02693 0.27294
443 2XG5 EC5 0.002692 0.27272
444 1JPA ANP 2.932e-05 0.27255
445 2XG5 EC2 0.0003326 0.27212
446 3LL4 2FP 0.04245 0.27011
447 3ZJX BOG 0.001945 0.26962
448 4LNP VAL 0.03407 0.2691
449 4NAE 1GP 0.04015 0.26669
450 1NBU PH2 0.04597 0.26629
451 1G51 AMP 0.006609 0.26609
452 1FWV SGA 0.01603 0.26424
453 1OAU SER 0.02268 0.26389
454 3UU7 2OH 0.03924 0.26305
455 3DOO SKM 0.01819 0.2629
456 4FXQ G9L 0.0332 0.26233
457 2PEL LBT 0.03005 0.26214
458 3QBC B55 0.02143 0.26007
459 4NZF ARB 0.03758 0.25968
460 2G30 ALA 0.0005522 0.25967
461 1GYB GLY 0.01685 0.25896
462 2OH5 CTP 0.02161 0.2587
463 1Q8A HCS 0.03763 0.25857
464 1L0I PSR 0.02227 0.2581
465 3FYP PEP 0.04366 0.25752
466 1OFL NGK 0.03243 0.25752
467 2ZJ5 ADP 0.03476 0.25623
468 1MJT ITU 0.02133 0.25615
469 1J84 BGC 0.03406 0.25585
470 2UYN 2KT 0.04702 0.25496
471 2J73 GLC 0.0458 0.25442
472 1A0J BEN 0.04714 0.25388
473 3CBC DBS 0.02028 0.2533
474 3WH2 FLC 0.03948 0.25239
475 1NME 159 0.04468 0.25232
476 3PFF TLA 0.03136 0.25231
477 2O9V VAL 0.022 0.25224
478 4FMS BDP 0.03004 0.25184
479 4FK7 P34 0.0126 0.25183
480 4IKN ASP 0.03352 0.25165
481 2WZ5 MET 0.01001 0.25138
482 2HO2 PRO 0.0359 0.25039
483 4K55 H6P 0.01523 0.24955
484 3ETG GWD 0.02654 0.24703
485 2UYP PPI 0.03332 0.24565
486 1ZX5 LFR 0.04475 0.24475
487 2D6M LBT 0.04544 0.24428
488 3DWC GLY 0.005743 0.24366
489 1OD3 BGC 0.04611 0.24077
490 4CS9 AMP 0.04757 0.23707
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