Receptor
PDB id Resolution Class Description Source Keywords
2ycs 2.35 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF CHECKPOINT KINASE 2 IN COMPLEX WITH PV7 HOMO SAPIENS TRANSFERASE ANTICANCER DRUG DESIGN
Ref.: STRUCTURAL CHARACTERIZATION OF INHIBITOR COMPLEXES CHECKPOINT KINASE 2 (CHK2), A DRUG TARGET FOR CANCE THERAPY. J.STRUCT.BIOL. V. 176 292 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NO3 A:601;
Invalid;
none;
submit data
62.005 N O3 [N+](...
NXP A:600;
Valid;
Atoms found LESS than expected: % Diff = 0;
ic50 = 1.36 nM
334.375 C18 H18 N6 O CC(=N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XK9 2.35 Å EC: 2.7.11.1 STRUCTURAL ANALYSIS OF CHECKPOINT KINASE 2 (CHK2) IN COMPLEX INHIBITOR PV1533 HOMO SAPIENS STRUCTURE-BASED DRUG DESIGN TRANSFERASE
Ref.: STRUCTURAL CHARACTERIZATION OF INHIBITOR COMPLEXES CHECKPOINT KINASE 2 (CHK2), A DRUG TARGET FOR CANCE THERAPY. J.STRUCT.BIOL. V. 176 292 2011
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 129 families.
1 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 CC(=NO)c1c....
2 2YCQ ic50 = 0.14 nM UPX C20 H17 N7 O3 CC(=NNc1[n....
3 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCCC(=NNC(....
4 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]N=C(N)N....
5 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 CC(=NNC(=N....
6 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
7 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 CC(=NNC(=N....
8 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O CC(=NNC(=N....
9 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 CC(=NNC(=N....
10 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
11 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 c1cc2cc([n....
12 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)(C1CN....
13 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
14 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
15 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O CC(=NNC1=N....
16 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O CC(=NNC(=N....
17 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
18 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 94 families.
1 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 CC(=NO)c1c....
2 2YCQ ic50 = 0.14 nM UPX C20 H17 N7 O3 CC(=NNc1[n....
3 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCCC(=NNC(....
4 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]N=C(N)N....
5 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 CC(=NNC(=N....
6 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
7 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 CC(=NNC(=N....
8 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O CC(=NNC(=N....
9 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 CC(=NNC(=N....
10 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
11 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 c1cc2cc([n....
12 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)(C1CN....
13 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
14 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
15 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O CC(=NNC1=N....
16 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O CC(=NNC(=N....
17 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
18 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
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(ccc1N....
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 CC(c1ccccc....
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(CO)....
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)CC(CO....
68 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
69 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S CC(CO)Nc1c....
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)CC(CO....
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 CC12C(C(CC....
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 CCC(CO)Nc1....
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 CC12C(C(CC....
109 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]N=C1NC(....
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 CCC(CO)Nc1....
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 CC(C(C(C#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 CCC(CO)Nc1....
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(ccc1N....
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 CC1CC2CN1C....
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)CC(CO....
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=C1NC(....
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 CC12C(C(CC....
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 CC12C(C(CC....
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)CCNC(....
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 c1nc(c2c(n....
222 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 c1nc(c2c(n....
223 3AGL Ki = 16 nM A03 C37 H63 N17 O9 CC(C(=O)NC....
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 CC12C(C(CC....
228 3QD4 ic50 = 1e-08 M 3Q6 C22 H30 N8 O2 CC1CC(CN(C....
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 CC1CCC(CN1....
234 3ORZ - BI4 C27 H26 N4 O2 CN1CCCC1CC....
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 CN1CCCC1CC....
240 3OTU - BI4 C27 H26 N4 O2 CN1CCCC1CC....
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 CC1COCCN1c....
244 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)CC1CC....
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(ccc1C....
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 CN1CCn2c1n....
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(n1C....
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 CN1C2CCC1C....
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 CC(c1ccccc....
281 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CCC1CN(CCC....
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 CC1C(C(C(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 CCCC(=NNC(....
303 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]N=C(N)N....
304 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 CC(=NNC(=N....
305 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
306 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 CC(=NNC(=N....
307 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O CC(=NNC(=N....
308 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 CC(=NNC(=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 c1cc2cc([n....
311 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)(C1CN....
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 CC(=NNC1=N....
315 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O CC(=NNC(=N....
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 CC12C(C(CC....
338 3A62 - STU C28 H26 N4 O3 CC12C(C(CC....
339 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S CC1CCc2c(c....
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 CC1CCN(CC1....
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)S....
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 CCOCCN(CC(....
354 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1C....
355 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(CC(....
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)S....
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(CO)....
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: NXP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 NXP 1 1
2 ZAT 0.507246 0.73913
3 D1A 0.456522 0.711864
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XK9; Ligand: XK9; Similar sites found: 512
This union binding pocket(no: 1) in the query (biounit: 2xk9.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3H9R TAK 2.067e-09 0.7864
2 2HK5 1BM 6.102e-10 0.73478
3 4CFU 2WC 8.134e-09 0.73203
4 2VAG V25 1.95e-09 0.73092
5 2O2U 738 7.497e-09 0.72316
6 4H3P ANP 3.089e-09 0.72157
7 3SXS PP2 1.499e-09 0.71723
8 2H8H H8H 4.722e-09 0.71294
9 3ALN ANP 7.774e-09 0.71234
10 3BU5 ATP 5.182e-09 0.71105
11 4CLJ 5P8 9.11e-09 0.70905
12 4FOC 0UU 9.406e-09 0.70839
13 4AOI 4K0 1.514e-08 0.70825
14 4FL3 ANP 1.733e-09 0.70557
15 4K33 ACP 5.043e-09 0.70236
16 4CNH 3U9 5.145e-08 0.70233
17 4FOB 0US 1.343e-09 0.70192
18 4AT3 LTI 1.411e-08 0.69997
19 4H3P ANP 9.046e-09 0.69973
20 2XVD AS6 1.983e-10 0.69687
21 2QLU ADE 2.647e-07 0.69631
22 3ZBF VGH 2.914e-08 0.69437
23 4BCQ TJF 7.725e-08 0.69331
24 4IDT T28 2.151e-08 0.69122
25 4PMT 31Y 8.992e-09 0.69085
26 2B9J ADP 2.235e-08 0.69043
27 3FI3 JK2 1.016e-08 0.68841
28 4KNB 1RU 3.888e-08 0.68825
29 3EYH IZA 1.647e-08 0.68756
30 2WU6 DKI 2.992e-09 0.68687
31 4KNB 1RU 4.168e-08 0.68678
32 4KNB 1RU 4.182e-08 0.6867
33 3TTI KBI 1.114e-08 0.68659
34 2B9F ADP 1.766e-08 0.68613
35 3ALN ANP 7.458e-09 0.68591
36 2F2U M77 1.088e-07 0.6857
37 2B9I ADP 1.842e-08 0.68528
38 3QUP LUN 3.094e-08 0.68368
39 2X2M X2M 5.504e-09 0.68345
40 2ZV2 609 1.256e-07 0.68252
41 3BI6 396 7.285e-09 0.67808
42 2PVF ACP 4.186e-08 0.6774
43 4H3Q ANP 5.241e-09 0.67634
44 4KNB 1RU 1.095e-07 0.67563
45 3GQI ACP 3.074e-08 0.67487
46 4CFU 2WC 7.394e-08 0.67462
47 4CNH 3U9 3.132e-08 0.67449
48 4CD0 AWJ 9.008e-09 0.67401
49 2Y6O 1N1 1.074e-08 0.67064
50 4X0M 3WA 6.591e-07 0.66978
51 3VRY B43 3.403e-09 0.66902
52 4BCN T9N 9.754e-08 0.66874
53 3ALN ANP 2.517e-07 0.66709
54 4DEH 0JK 1.73e-07 0.66572
55 4CCU AWF 7.986e-08 0.66399
56 4BCN T9N 1.947e-07 0.66316
57 3PP0 03Q 3.476e-09 0.66137
58 4MKC 4MK 3.203e-08 0.65745
59 3V8T 477 5.087e-10 0.65621
60 3V8T 477 5.087e-10 0.65621
61 3EKK GS2 1.803e-08 0.65312
62 3PP0 03Q 1.968e-08 0.65147
63 4BCQ TJF 8.622e-07 0.6492
64 4X2K 3WO 2.467e-07 0.64906
65 4X2J 3WN 2.467e-07 0.64906
66 4QTB 38Z 3.556e-09 0.64721
67 4IZY 1J2 5.972e-08 0.64529
68 4QTB 38Z 4.235e-09 0.6442
69 4MQ1 2C3 6.51e-08 0.64361
70 4K77 1Q4 1.113e-06 0.64339
71 1O9U ADZ 3.296e-06 0.64294
72 3VRY B43 6.71e-09 0.64285
73 4C4F 7CE 7.454e-08 0.64096
74 4HNF 16W 8.35e-07 0.64047
75 3EYG MI1 1.173e-07 0.6397
76 4MQ1 2C3 1.187e-07 0.63946
77 3HMO STU 2.676e-07 0.6389
78 2F2U M77 1.071e-06 0.63494
79 1VJY 460 1.688e-08 0.63323
80 3GC8 B45 7.722e-08 0.63287
81 4DCE 0JF 7.892e-08 0.63245
82 3HZT J60 1.444e-06 0.6283
83 2A19 ANP 1.446e-06 0.62828
84 1U59 STU 3.118e-07 0.62778
85 1Y57 MPZ 7.46e-08 0.62643
86 2CSN CKI 2.677e-08 0.62502
87 4MQ1 2C3 1.689e-07 0.625
88 4DCE 0JF 1.75e-07 0.6243
89 3IGO ANP 1.278e-07 0.62321
90 3GC8 B45 1.061e-07 0.61981
91 3RI1 3RH 3.674e-08 0.61939
92 4K77 1Q4 2.365e-06 0.61736
93 4LOO SB4 5.342e-07 0.61684
94 3KRL KRL 2.076e-07 0.61393
95 4OAV ACP 1.02e-06 0.61112
96 4WHZ 3NL 4.261e-10 0.61094
97 3V8T 477 8.157e-11 0.61047
98 4MQ1 2C3 2.732e-07 0.60867
99 3BRB ADP 5.272e-06 0.60802
100 4EI4 0Q2 2.526e-06 0.60757
101 3LXN MI1 4.311e-07 0.6067
102 4NWM 2P5 2.279e-07 0.60545
103 4EHZ JAK 2.8e-06 0.60534
104 4EI4 0Q2 3.056e-06 0.60344
105 4KBC 1QJ 3.168e-06 0.60266
106 4KBC 1QJ 3.168e-06 0.60266
107 3F7Z 34O 3.201e-06 0.60244
108 4IVB 1J5 2.501e-06 0.59994
109 4IVB 1J5 1.762e-06 0.59978
110 4E6Q 0NV 7.238e-07 0.59658
111 1CM8 ANP 2.078e-06 0.59635
112 4EHZ JAK 4.244e-06 0.59632
113 1CM8 ANP 2.101e-06 0.59613
114 4E4N 0NL 1.056e-06 0.59594
115 3GNI ATP 7.637e-07 0.59553
116 4EHZ JAK 4.569e-06 0.59472
117 4E6D 0NU 1.146e-06 0.59431
118 4KBC 1QJ 4.997e-06 0.59278
119 3FHI ANP 1.732e-07 0.59178
120 3F7Z 34O 2.795e-06 0.5902
121 3RI1 3RH 2.001e-07 0.58921
122 2P2H 994 4.59e-06 0.58706
123 1XKK FMM 6.196e-09 0.5869
124 4EHZ JAK 6.588e-06 0.58678
125 4GJ3 0XP 6.233e-08 0.58672
126 4HNF 16W 3.635e-06 0.58475
127 4E4N 0NL 2.758e-06 0.58347
128 3EQR T74 2.834e-07 0.58302
129 3EQR T74 2.834e-07 0.58302
130 3BRB ADP 1.598e-05 0.5828
131 2QCS ANP 3.463e-07 0.57944
132 4FK6 0UJ 4.885e-06 0.57862
133 4FK6 0UJ 4.957e-06 0.57831
134 3LXK MI1 2.813e-07 0.57748
135 4E4L 0NH 7.291e-06 0.57724
136 4IVD 15T 2.098e-06 0.5758
137 3E8N ATP 7.833e-10 0.57559
138 3E8N ATP 7.833e-10 0.57559
139 3E8N VRA 7.833e-10 0.57559
140 3E8N VRA 7.833e-10 0.57559
141 3EQR T74 6.028e-07 0.57521
142 4E6Q 0NV 3.156e-06 0.57413
143 4I6H 1C8 4.416e-06 0.57391
144 4E4L 0NH 8.91e-06 0.57299
145 4F65 0S9 6.622e-08 0.57281
146 3IDB ANP 1.324e-06 0.57238
147 4IVC 1J6 3.449e-06 0.57237
148 2JLD AG1 1.083e-07 0.57233
149 2JLD AG1 2.046e-07 0.57213
150 4IVC 1J6 3.499e-06 0.57208
151 3KF4 B90 1.066e-07 0.57187
152 4E4L 0NH 6.764e-06 0.57186
153 4IVD 15T 2.631e-06 0.57139
154 4E93 GUI 1.176e-07 0.57098
155 3UIM ANP 5.289e-06 0.57025
156 2PUL ACP 7.62e-06 0.56939
157 2PUL ACP 7.62e-06 0.56939
158 1ZTH ADP 2.092e-05 0.56896
159 4MXO DB8 3.451e-07 0.56888
160 4MK0 29X 1.195e-06 0.56844
161 3VHE 42Q 2.803e-07 0.5668
162 4TWC 37J 5.183e-06 0.56425
163 1ZP9 ATP 1.361e-05 0.564
164 3ZRM ZRM 7.651e-06 0.56274
165 4E1Z 0MX 2.258e-06 0.56234
166 2JLD AG1 1.48e-07 0.56225
167 1OPK P16 3.219e-06 0.56144
168 2XB7 GUI 8.656e-09 0.56123
169 4TW9 386 1.177e-05 0.56036
170 1ZTH ADP 3.105e-05 0.5602
171 1ZP9 ATP 1.205e-05 0.55987
172 4GYI ADP 2.423e-05 0.55853
173 1ZTH ADP 3.419e-05 0.55806
174 4F4P 0SB 5.972e-09 0.55573
175 1ZP9 ATP 1.538e-05 0.55481
176 1ZP9 ATP 2.117e-05 0.55464
177 2EVA ADN 5.848e-07 0.55436
178 4TWC 37J 1.655e-05 0.55329
179 4CYI ATP 7.075e-06 0.55207
180 4PNI KQQ 1.074e-06 0.54897
181 3U6H 03X 1.318e-07 0.5478
182 1ZTH ADP 3.974e-05 0.5478
183 4IWD 1JC 3.024e-07 0.54611
184 4CYI ATP 1.43e-05 0.54405
185 3SXF BK5 3.572e-07 0.54346
186 3THB 3TA 2.836e-07 0.54261
187 3THB 3TA 2.836e-07 0.54261
188 3ZOS 0LI 5.278e-05 0.54164
189 4KBA 1QM 2.255e-05 0.54078
190 3NW7 LGV 9.562e-07 0.53499
191 4CYI ATP 1.316e-05 0.53447
192 1ZY5 ANP 4.133e-05 0.5343
193 4KBA 1QM 7.588e-05 0.53377
194 3PDT ADP 6.206e-05 0.53182
195 4ORK GDP 6.946e-05 0.52943
196 3EFK MT4 2.158e-08 0.52942
197 3EFK MT4 2.158e-08 0.52942
198 4CYI ATP 3.032e-05 0.52907
199 3KF4 B90 1.05e-06 0.52888
200 4Q5H ANP 4.055e-05 0.52884
201 3ZJX BOG 0.0002541 0.52879
202 3PVW QRX 6.126e-06 0.5283
203 3ZJX BOG 0.0002596 0.52827
204 1TQP ATP 1.074e-05 0.52793
205 4CMT GWH 3.991e-09 0.5279
206 2OFV 242 7.359e-07 0.52771
207 4MXO DB8 2.912e-06 0.52747
208 3ZJX BOG 0.0002694 0.52738
209 3I0O ADP 0.00014 0.52676
210 3I0O ADP 0.00014 0.52676
211 4ORK GDP 4.548e-05 0.52651
212 4P5Z Q7M 5.496e-07 0.52592
213 4KBA 1QM 4.944e-05 0.52481
214 4KBA 1QM 4.944e-05 0.52481
215 4ORK GDP 0.000126 0.52277
216 4NWM 2P5 2.305e-08 0.52171
217 3ZJX BOG 0.0003458 0.52106
218 4ORK GDP 8.068e-05 0.52041
219 3LKM AMP 5.458e-05 0.51737
220 1W2D ADP 0.0002199 0.51674
221 4KBA 1QM 9.636e-05 0.51673
222 4BHN BH9 2.641e-08 0.51664
223 3EFK MT4 4.583e-08 0.51557
224 1ULE GLA GAL NAG 0.0004016 0.51494
225 1W2D ADP 0.0002656 0.51255
226 2RFN AM7 5.123e-08 0.51087
227 3E7O 35F 8.342e-07 0.50996
228 1MQB ANP 1.231e-08 0.5096
229 4AG8 AXI 5.219e-06 0.50886
230 2IF8 ADP 0.000574 0.50768
231 2B9H ADP 1.088e-08 0.50736
232 3KMW ATP 0.0001575 0.50652
233 3C1X CKK 5.842e-05 0.50593
234 3TDV GDP 0.0001273 0.50559
235 2GU8 796 6.384e-09 0.50467
236 3TDV GDP 0.0001393 0.50377
237 2RFN AM7 7.362e-08 0.50169
238 3E7O 35F 1.99e-06 0.5009
239 4BHN BH9 2.405e-07 0.50073
240 4CTB KVC 2.121e-08 0.5003
241 3WG3 A2G GAL NAG FUC 0.000884 0.49979
242 3SRV S19 9.43e-09 0.49932
243 1NU4 MLA 0.003227 0.49883
244 2WA4 069 0.0004186 0.49673
245 1IA9 ANP 0.0001548 0.49661
246 4OCV ANP 0.0001552 0.49655
247 4AZT LY2 0.0005548 0.49619
248 4BKJ STI 6.119e-05 0.49583
249 2PYW ADP 0.0001261 0.49583
250 1TZD ADP 0.0009829 0.49469
251 3RGF BAX 6.738e-05 0.49405
252 4BKJ STI 0.0001125 0.49337
253 4CLI 5P8 1.059e-08 0.49329
254 1PME SB2 5.726e-08 0.4893
255 3SRV S19 1.098e-08 0.4886
256 1GSA ADP 0.0001259 0.48678
257 1GSA ADP 0.0001259 0.48678
258 4BQY FNT 0.0006889 0.48592
259 4K55 H6P 0.001312 0.48451
260 2QU6 857 0.0001434 0.48433
261 4CCB OFG 5.267e-08 0.48412
262 1UNH IXM 1.676e-08 0.48403
263 4ASE AV9 1.785e-06 0.48346
264 2BPM 529 1.185e-07 0.48194
265 3WG3 A2G GAL NAG FUC 0.001359 0.48175
266 4CMO YPW 3.05e-08 0.48175
267 3PLS ANP 4.927e-08 0.4799
268 4PMM 31V 0.0002319 0.47952
269 3LQ8 88Z 4.278e-07 0.47932
270 4CMU IV7 1.443e-08 0.47906
271 4O1P ANP 8.453e-08 0.47854
272 2ET1 GLV 0.002276 0.47802
273 1AUX AGS 0.0004967 0.47792
274 4CTC J99 6.167e-08 0.47771
275 2QU6 857 0.0001334 0.47737
276 4O1P ANP 5.544e-08 0.47695
277 4UXQ 0LI 6.207e-05 0.47544
278 3OYW TDG 0.002313 0.47516
279 3WVR AMP 0.0009052 0.47497
280 3WVR AMP 0.0009052 0.47497
281 1ULE GLA GAL NAG 0.002422 0.47472
282 3WVR AMP 0.0009649 0.47362
283 4NM5 ADP 1.266e-06 0.47274
284 4NM5 ADP 1.266e-06 0.47274
285 1TZD ADP 0.002574 0.47077
286 1OBD ATP 0.001404 0.47047
287 2BPM 529 1.619e-07 0.4704
288 4BBF O19 3.761e-07 0.47011
289 4U0I 0LI 1.148e-05 0.47011
290 4BCM T7Z 8.932e-08 0.47006
291 2VQD AP2 0.0004747 0.46995
292 4AT5 MUJ 0.0003958 0.46929
293 3WVR AMP 0.001329 0.46683
294 3WVR AMP 0.001329 0.46683
295 3QBC B55 0.002725 0.46656
296 4EYM 0RX 0.0005876 0.46578
297 4NST ADP 2.859e-07 0.46537
298 3O0G 3O0 2.935e-07 0.465
299 4NST ADP 3.182e-07 0.46439
300 1U6R IOM 0.005889 0.46434
301 2P2I 608 0.0003502 0.46364
302 4I5C C5I 7.929e-07 0.46208
303 1UNH IXM 6.081e-08 0.46199
304 3TZM 085 1.549e-06 0.4616
305 3ZOS 0LI 0.0002159 0.46124
306 4ANW O92 9.869e-05 0.46072
307 4I5C C5I 1.084e-06 0.45833
308 2GQS ADP 0.001623 0.4581
309 2VPQ ANP 0.0005791 0.4581
310 2ZM3 575 6.419e-08 0.45788
311 2OO8 RAJ 0.0007736 0.45645
312 1BYG STU 2.445e-07 0.45577
313 3QBC B55 0.004012 0.45569
314 3DGY 2GP 0.005556 0.45543
315 4BBF O19 8.642e-07 0.45399
316 3SAO DBH 0.007077 0.45304
317 3QBC B55 0.006667 0.45191
318 2P2I 608 0.0006958 0.45097
319 3RGA LSB 0.002326 0.45062
320 2ZM3 575 2.425e-07 0.44994
321 4OCT AKG 0.004476 0.4498
322 4CKR DI1 0.0005146 0.44941
323 4IAW LIZ 0.005822 0.44861
324 4H1M 0YJ 0.0001381 0.44734
325 4BBF O19 8.911e-07 0.44676
326 4OCT AKG 0.005273 0.44615
327 2ZM3 575 8.683e-08 0.44554
328 3VPC ADP 0.001447 0.44445
329 4BBF O19 1.176e-06 0.44421
330 4FVQ ATP 4.331e-06 0.4435
331 2UYN 2KT 0.009326 0.44344
332 2ZL7 FUC GAL NGA 0.01052 0.44321
333 1YP6 PRZ 0.002791 0.44282
334 3OCP CMP 0.006275 0.44228
335 4JH6 FCN 0.007979 0.44142
336 3VPB ADP 0.0009883 0.44107
337 4BBE 3O4 2.372e-07 0.43977
338 1RGE 2GP 0.01057 0.43955
339 4IAW LIZ 0.00737 0.4387
340 1PK8 ATP 0.001156 0.43823
341 4AT4 T6E 0.002478 0.43767
342 3LQV ADE 0.01304 0.43743
343 2ZM3 575 2.084e-07 0.43735
344 2D24 XYS XYS 0.01531 0.43726
345 1I7L ATP 0.001473 0.43712
346 1I7L ATP 0.001473 0.43712
347 1PK8 ATP 0.00127 0.43652
348 1ZZ7 S0H 0.01233 0.43602
349 1JL0 PUT 0.007848 0.43558
350 4IAW LIZ 0.0087 0.435
351 3T4V MD3 0.00341 0.43499
352 3BZ3 YAM 3.698e-06 0.43471
353 3SG8 TOY 0.000702 0.43439
354 3SG8 TOY 0.000702 0.43439
355 4FE2 ADP 0.00743 0.43427
356 1P0Z FLC 0.01334 0.43416
357 2AGC DAO 0.01098 0.43412
358 1QY1 PRZ 0.002977 0.43408
359 1QY1 PRZ 0.002977 0.43408
360 3SAO NKN 0.006223 0.43403
361 3ORQ ADP 0.002991 0.43399
362 4DFU QUE 0.0112 0.43368
363 1ZX5 LFR 0.02739 0.43359
364 3HQR OGA 0.007699 0.43349
365 3SAO NKN 0.00945 0.43316
366 1CKM GTP 0.01193 0.43223
367 1CKM GTP 0.01193 0.43223
368 3E2M E2M 0.001628 0.43202
369 3ETH ATP 0.002781 0.43193
370 4E5W 0NT 5.292e-06 0.43169
371 1WBP ADP 1.105e-07 0.43144
372 1I82 BGC BGC 0.01751 0.43096
373 4BBE 3O4 1.494e-07 0.43069
374 1RDS GPC 0.00737 0.43043
375 2HZQ STR 0.01773 0.4299
376 2P69 PLP 0.01803 0.42937
377 1K3A ACP 1.407e-06 0.42927
378 2XN5 FUN 0.01145 0.42887
379 2C49 ADN 0.005537 0.42886
380 2IO8 ADP 0.002314 0.42878
381 3PNA CMP 0.01395 0.42865
382 1KR3 113 0.0169 0.42861
383 2JBH 5GP 0.0141 0.42841
384 4N14 WR7 0.02866 0.42827
385 1OGX EQU 0.008382 0.42769
386 2GC0 PAN 0.005867 0.42768
387 1CKN GTP 0.01562 0.42605
388 1CKN GTP 0.01562 0.42605
389 1CKN GTP 0.01562 0.42605
390 2W5P CL8 0.02254 0.42603
391 1Y9Q MED 0.02025 0.42551
392 3DZ6 PUT 0.01743 0.42531
393 4P25 FUC GAL NAG FUC 0.02014 0.42449
394 1HGX 5GP 0.01766 0.42323
395 1DZK PRZ 0.008689 0.4232
396 3FC2 IBI 1.376e-06 0.42295
397 3ZGJ RMN 0.01805 0.42273
398 4MA6 28E 0.02175 0.42266
399 4B9K TG0 0.01833 0.42239
400 4AXD ANP 0.0003807 0.42212
401 4UWH JXM 0.0109 0.42209
402 3UDZ ADP 1.982e-05 0.42197
403 3UDZ ADP 1.982e-05 0.42197
404 2XEM SSV 0.01626 0.42104
405 1SN0 T44 0.01363 0.42103
406 4QCK ASD 0.01154 0.42087
407 4B9K TG0 0.01967 0.42077
408 4DFU QUE 0.02369 0.42065
409 4B9K TG0 0.01987 0.42054
410 1RPN GDP 0.008393 0.42038
411 1RPN GDP 0.008393 0.42038
412 4FE2 AIR 0.01675 0.42036
413 3LQV ADE 0.02035 0.42036
414 2R5V HHH 0.01467 0.41943
415 4CS9 AMP 0.02709 0.41901
416 4BBE 3O4 3.431e-07 0.41899
417 3UDZ ADP 2.299e-05 0.4188
418 1OFL NGK GCD 0.01843 0.41871
419 1F52 ADP 0.01529 0.41853
420 1UF5 CDT 0.01875 0.41785
421 2R5V HHH 0.01579 0.41783
422 1EPB REA 0.01149 0.41737
423 3AVR OGA 0.02971 0.41712
424 2QL9 CIT 0.03278 0.4171
425 2AQX ATP 0.006086 0.41689
426 4JPS 1LT 0.01183 0.41677
427 4IE6 UN9 0.002769 0.41657
428 4BBE 3O4 2.346e-07 0.41645
429 3SK2 GRI 0.03048 0.41624
430 2D24 XYS XYS XYS XYS 0.03112 0.41607
431 1SGJ OAA 0.03884 0.41595
432 3EW2 BTN 0.02088 0.41543
433 3O2K DST 0.02985 0.41519
434 3N9P OGA 0.02904 0.41513
435 1FTH A3P 0.03018 0.41493
436 2CBT TH2 0.0302 0.41491
437 3M3E GAL A2G NPO 0.02573 0.41439
438 1C1L GAL BGC 0.02274 0.41428
439 4BMB LAT 0.00266 0.41403
440 4MUV PCG 0.01603 0.41385
441 1MQB ANP 1.103e-06 0.41383
442 4NPT 017 0.02266 0.41359
443 4K37 SAM 0.01389 0.4134
444 2ED4 NAD 0.03332 0.41284
445 3QRC SCR 0.009377 0.4128
446 1C3M MAN MAN 0.04544 0.41261
447 4K79 GAL A2G 0.03335 0.41256
448 3QRC SCR 0.00957 0.41238
449 1UMZ BGC BGC XYS BGC XYS GAL 0.03366 0.41234
450 4K37 SAM 0.01468 0.41225
451 1GT4 UNA 0.01469 0.41224
452 4DVR 0LY 0.02066 0.41194
453 4QDF 30Q 0.0151 0.41166
454 4BKU 1S5 0.02934 0.41156
455 4K79 GAL A2G 0.02976 0.41123
456 3OF1 CMP 0.02572 0.41075
457 3ZGJ RMN 0.03664 0.41033
458 3A16 PXO 0.02937 0.41032
459 2XSB GDL 0.03098 0.4103
460 1EHI ADP 0.01176 0.41025
461 2YRX AMP 0.03672 0.40989
462 4JNJ BTN 0.01959 0.40956
463 4LBK GAL NAG GAL BGC 0.01681 0.40942
464 3TY5 ADP 0.01999 0.40913
465 4JNJ BTN 0.02003 0.40909
466 2YKL NLD 0.02384 0.4088
467 3M3E GAL A2G NPO 0.03154 0.40857
468 2CFM AMP 0.02884 0.40817
469 3FEA ACE PHE MET AIB PM3 6CW GLU 1AC LEU NH2 0.02887 0.40814
470 1XDN ATP 0.02122 0.40785
471 4MMP SLB 0.02178 0.40729
472 3AB4 THR 0.0301 0.40721
473 4J25 OGA 0.04378 0.40721
474 3PGU OLA 0.03037 0.407
475 3ZS9 ADP ALF 0.007583 0.40683
476 4OCJ NDG 0.001066 0.40671
477 4BCS BTN 0.01946 0.40635
478 4COQ SAN 0.04261 0.40602
479 4MUV PCG 0.02 0.40578
480 4MUV PCG 0.02 0.40578
481 4JVF 17X 0.002868 0.40552
482 1RZ1 NAD 0.04237 0.40549
483 4JNJ BTN 0.02381 0.40538
484 1E4E ADP 0.01501 0.40536
485 1RZ1 NAD 0.04321 0.40515
486 1W2D 4IP 0.006177 0.40511
487 4LI4 AMP 0.03892 0.40502
488 2WXG ZZN 0.000637 0.40497
489 1BKC INN 0.02839 0.40496
490 1MZV AMP 0.03327 0.40494
491 2QHV OC9 0.03906 0.40494
492 2ZBA ZBA 0.02456 0.40472
493 3HPY MCT 0.04674 0.40453
494 1RNT 2GP 0.0158 0.40434
495 1N5S ADL 0.02144 0.40432
496 4IX4 ADP 0.0001445 0.40426
497 2GJ5 VD3 0.006499 0.40421
498 2HVW DDN 0.02547 0.40394
499 4GLW 0XT 0.04092 0.40386
500 1ND2 MYR 0.02577 0.40368
501 1BKC INN 0.03021 0.40359
502 3THR C2F 0.02229 0.40351
503 3W0O ADP 0.005059 0.40343
504 1RZ1 NAD 0.04446 0.40342
505 3IB1 IMN 0.04914 0.40333
506 2HGS ADP 0.01083 0.40296
507 1I7M PUT 0.02169 0.40131
508 4KNM E1E 0.01837 0.40131
509 3PFF ADP 0.02518 0.40095
510 3PFF ADP 0.02518 0.40095
511 3DCJ THH 0.03522 0.40021
512 3T2W BTN 0.04109 0.40017
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