Receptor
PDB id Resolution Class Description Source Keywords
2XKE 2.2 Å EC: 2.7.11.1 STRUCTURE OF NEK2 BOUND TO AMINIPYRAZINE COMPOUND 5 HOMO SAPIENS TRANSFERASE CENTROSOME MITOSIS
Ref.: AMINOPYRAZINE INHIBITORS BINDING TO AN UNUSUAL INAC CONFORMATION OF THE MITOTIC KINASE NEK2: SAR AND ST CHARACTERIZATION. J.MED.CHEM. V. 53 7682 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:1281;
A:1282;
A:1283;
A:1284;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
WI2 A:1280;
Valid;
none;
ic50 = 4.2 uM
328.366 C17 H20 N4 O3 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4A4X 2.4 Å EC: 2.7.11.1 NEK2-EDE BOUND TO CCT248662 HOMO SAPIENS TRANSFERASE PROTEIN KINASE MITOSIS
Ref.: DESIGN OF POTENT AND SELECTIVE HYBRID INHIBITORS OF MITOTIC KINASE NEK2: STRUCTURE-ACTIVITY RELATIONSHI STRUCTURAL BIOLOGY, AND CELLULAR ACTIVITY. J.MED.CHEM. V. 55 3228 2012
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 5M51 ic50 = 19 uM NU6 C19 H22 N6 O2 c1cc(cc(c1....
2 2XKD ic50 = 2.3 uM T3M C20 H19 N3 O5 COc1cc(cc(....
3 2XNO ic50 = 6.57 uM ED8 C26 H25 F3 N4 O3 S CN1CCC(CC1....
4 2W5B - SAP C10 H16 N5 O12 P3 S c1nc(c2c(n....
5 5M57 ic50 = 12 uM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
6 4A4X ic50 = 0.059 uM JUP C28 H27 F3 N4 O2 S C[C@H](c1c....
7 2XK4 ic50 = 16.9 uM OL2 C22 H23 N3 O6 CCOc1cc(cc....
8 2XKC ic50 = 2.6 uM 4VQ C21 H21 N3 O5 Cc1cc(ccc1....
9 2XK3 - XK3 C17 H21 N3 O2 S CCc1ccsc1c....
10 2XNP ic50 = 0.66 uM WCX C29 H29 F3 N4 O3 C[C@H](c1c....
11 2XK6 - EQH C18 H21 N3 O2 S c1csc(c1C2....
12 2W5A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 5M55 ic50 = 0.24 uM 7GG C17 H20 N6 CCN(CC)/C=....
14 2XNM ic50 = 0.16 uM WGZ C27 H27 F3 N4 O3 S C[C@H](c1c....
15 2XKF ic50 = 0.87 uM BX1 C19 H24 N4 O5 COc1cc(cc(....
16 2JAV ic50 ~ 8 uM 5Z5 C17 H16 Cl N3 O2 Cc1c([nH]c....
17 5M53 ic50 = 0.62 uM 7GJ C21 H26 N6 O2 CN(C)C(=O)....
18 2XK8 ic50 = 2.4 uM 5R1 C21 H21 N3 O6 COc1cc(ccc....
19 2WQO - VGK C21 H20 N2 O5 COc1cc(cc(....
20 2XKE ic50 = 4.2 uM WI2 C17 H20 N4 O3 COc1cccc(c....
21 2XNN - 430 C21 H16 F3 N3 O2 S C[C@H](c1c....
22 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CC[C@H]1C[....
70% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 5M51 ic50 = 19 uM NU6 C19 H22 N6 O2 c1cc(cc(c1....
2 2XKD ic50 = 2.3 uM T3M C20 H19 N3 O5 COc1cc(cc(....
3 2XNO ic50 = 6.57 uM ED8 C26 H25 F3 N4 O3 S CN1CCC(CC1....
4 2W5B - SAP C10 H16 N5 O12 P3 S c1nc(c2c(n....
5 5M57 ic50 = 12 uM 4SP C18 H22 N6 O3 S c1cc(ccc1N....
6 4A4X ic50 = 0.059 uM JUP C28 H27 F3 N4 O2 S C[C@H](c1c....
7 2XK4 ic50 = 16.9 uM OL2 C22 H23 N3 O6 CCOc1cc(cc....
8 2XKC ic50 = 2.6 uM 4VQ C21 H21 N3 O5 Cc1cc(ccc1....
9 2XK3 - XK3 C17 H21 N3 O2 S CCc1ccsc1c....
10 2XNP ic50 = 0.66 uM WCX C29 H29 F3 N4 O3 C[C@H](c1c....
11 2XK6 - EQH C18 H21 N3 O2 S c1csc(c1C2....
12 2W5A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 5M55 ic50 = 0.24 uM 7GG C17 H20 N6 CCN(CC)/C=....
14 2XNM ic50 = 0.16 uM WGZ C27 H27 F3 N4 O3 S C[C@H](c1c....
15 2XKF ic50 = 0.87 uM BX1 C19 H24 N4 O5 COc1cc(cc(....
16 2JAV ic50 ~ 8 uM 5Z5 C17 H16 Cl N3 O2 Cc1c([nH]c....
17 5M53 ic50 = 0.62 uM 7GJ C21 H26 N6 O2 CN(C)C(=O)....
18 2XK8 ic50 = 2.4 uM 5R1 C21 H21 N3 O6 COc1cc(ccc....
19 2WQO - VGK C21 H20 N2 O5 COc1cc(cc(....
20 2XKE ic50 = 4.2 uM WI2 C17 H20 N4 O3 COc1cccc(c....
21 2XNN - 430 C21 H16 F3 N3 O2 S C[C@H](c1c....
22 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CC[C@H]1C[....
50% Homology Family (492)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 2E9O ic50 = 20 nM A58 C25 H27 N3 O2 CC1CCC(CC1....
2 2WMQ - ZYQ C9 H11 N3 O2 S CC(=O)Nc1n....
3 2BRO ic50 = 1.4 uM DF2 C21 H20 N4 O2 c1ccc(cc1)....
4 2QHN ic50 = 980 nM 582 C13 H13 N3 O CCN1c2cccc....
5 4RVM ic50 = 1 nM 3X7 C23 H21 N5 c1cc(ccc1C....
6 5DLS ic50 = 4.4 nM 5CV C31 H34 N6 O3 CC(C)(CN(C....
7 3TKI ic50 = 0.05 nM S25 C20 H23 N7 O2 S c1cnc(cc1N....
8 2YM5 ic50 = 0.43 uM YM5 C18 H21 N5 O2 c1cc(cc(c1....
9 4HYH ic50 = 1 nM 1AM C22 H22 N6 O3 S COc1ccc2c(....
10 1NVS Ki = 15 nM UCM C24 H15 N3 O3 c1ccc2c(c1....
11 2YDK ic50 = 0.007 uM YDK C17 H20 N4 O2 S c1ccc(cc1)....
12 3OT3 ic50 = 0.005 uM 22K C16 H20 Br N7 Cn1cc(cn1)....
13 2HXQ ic50 = 144 nM 373 C24 H26 N4 O c1ccc2c(c1....
14 2QHM ic50 = 660 nM 7CS C16 H19 N3 O2 CN1[C@H]2C....
15 2BRH ic50 = 22 uM DFW C20 H15 N3 O3 c1ccc(cc1)....
16 2R0U ic50 = 1 nM M54 C25 H22 N4 O2 c1cc(cc(c1....
17 1NVR Ki = 7.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
18 3OT8 ic50 = 0.009 uM MI5 C19 H22 N8 S Cc1cc(sn1)....
19 2YM4 ic50 = 1.5 uM 4YM C21 H22 N6 O3 CCOC(=O)c1....
20 4HYI ic50 = 2 nM 1AO C21 H20 N6 O S c1ccc2c(c1....
21 4RVL ic50 = 41.7 nM 3XL C17 H10 N4 O c1ccc(c(c1....
22 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
23 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
24 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
25 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
26 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
27 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
28 5F4N ic50 = 2.2 nM 5UY C17 H19 N7 O3 COC(=O)c1c....
29 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
30 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
31 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
32 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
33 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
34 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
35 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
36 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
37 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
38 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
39 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
40 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
41 3JVS Ki = 0.146 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
42 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
43 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
44 2C3L Ki = 0.026 uM IDZ C14 H10 N4 c1ccc2c(c1....
45 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
46 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
47 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
48 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
49 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 C[C@@]12[C....
50 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
51 1JSV - U55 C10 H11 N5 O2 S c1cc(ccc1N....
52 1OIQ ic50 = 2.9 uM HDU C14 H13 N5 O Cc1c(n2ccc....
53 2W17 ic50 = 0.002 uM I19 C24 H30 F N7 O Cc1ncc(n1C....
54 2VTP ic50 = 0.003 uM LZ9 C17 H11 F3 N4 O2 c1cc(c(c(c....
55 1JVP ic50 = 1.6 uM LIG C15 H11 N3 c1ccc-2c(c....
56 1FVT - 106 C14 H9 Br N4 O3 S c1cc(ccc1/....
57 4KD1 - 1QK C21 H29 N6 O2 CCc1cnn2c1....
58 3LE6 ic50 = 0.035 uM 2BZ C17 H10 Cl N5 O2 Cc1c-2nc(c....
59 2VTI ic50 = 0.66 uM LZ3 C14 H12 N4 O3 S c1ccc2c(c1....
60 3LFS Ki = 2.5 uM A07 C17 H16 Cl N3 O CCCC(=O)Nc....
61 1PXI - CK1 C8 H5 Cl2 N3 S c1cnc(nc1c....
62 4LYN - 1YG C20 H23 N3 O2 S2 C[C@@H](c1....
63 1YKR ic50 = 0.56 uM 628 C20 H14 Cl2 N4 O3 S c1cc(c(c(c....
64 1PXN Ki ~ 0.32 uM CK6 C15 H15 N5 O S Cc1c(sc(n1....
65 2R3J ic50 = 10 nM SCJ C18 H14 Br N5 c1ccc(cc1)....
66 3IG7 ic50 = 9 nM EFP C18 H22 N4 O3 CC(=O)NC1C....
67 2VTS ic50 = 0.03 uM LZC C16 H23 N7 CC(C)Nc1cc....
68 1P2A ic50 = 12 nM 5BN C17 H15 F N4 O c1cc([nH]c....
69 2BHE ic50 = 1 uM BRY C16 H9 Br N2 O2 c1ccc2c(c1....
70 3UNK ic50 = 15 uM 0BY C17 H13 Cl N4 O2 c1ccc(c(c1....
71 2VTQ ic50 = 0.14 uM LZA C16 H17 F2 N5 O2 c1cc(c(c(c....
72 2C68 ic50 = 1.8 uM CT6 C18 H15 Br N5 c1cc(cc(c1....
73 3TIZ - 3TI C17 H13 N O2 c1ccc2c(c1....
74 3PXY ic50 = 5.9 uM JWS C10 H11 N5 O2 COc1ccc(c(....
75 2R3M ic50 = 10 nM SCX C19 H17 F2 N7 CCc1cnn2c1....
76 5JQ5 Kd = 2341 nM I74 C22 H30 N6 O CC(C)c1cnn....
77 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
78 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
79 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
80 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
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 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
86 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
87 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
88 5JQ8 - I73 C22 H30 N6 O CC(C)c1cnn....
89 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
90 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
91 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
92 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
93 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
94 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
95 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
96 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
97 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
98 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
99 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
100 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
101 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
102 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
103 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
104 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
105 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
106 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
107 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
108 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
109 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
110 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
111 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
112 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
113 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
114 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
115 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
116 5FP5 - 1Y6 C7 H5 F O2 c1cc(ccc1C....
117 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
118 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
119 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
120 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
121 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
122 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
123 5IEV - R0N C18 H23 F3 N4 O3 S C[C@H]([C@....
124 4D1X - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
125 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
126 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
127 5FP6 - MFZ C11 H7 Cl2 N O c1cc(c2c(c....
128 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
129 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
130 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
131 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
132 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
133 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
134 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
135 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
136 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
137 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
138 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
139 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
140 5A14 - LQ5 C24 H26 F3 N7 O2 CN1CCN(CC1....
141 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
142 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
143 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
144 5D1J ic50 = 48 nM 56H C17 H24 N4 O2 S2 CC(C)(C)c1....
145 5IEY - 6AE C14 H19 N5 O3 S C[C@H]([C@....
146 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
147 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
148 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
149 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
150 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
151 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
152 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
153 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
154 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
155 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
156 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
157 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
158 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
159 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
160 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
161 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
162 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
163 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
164 1H08 - BYP BWP n/a n/a
165 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
166 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
167 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
168 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
169 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
170 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
171 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
172 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
173 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
174 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
175 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
176 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
177 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
178 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
179 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
180 4D1Z - WG8 C13 H10 N2 O3 S c1cc2ccc(n....
181 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
182 5LI9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
183 3A8W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
184 3MB6 ic50 = 100 nM 01I C16 H8 O6 c1cc2c(cc(....
185 5M4F - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
186 5CVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
187 3BQC ic50 ~ 2 uM EMO C15 H10 O5 Cc1cc2c(c(....
188 5CU2 - 54G C8 H8 O3 Cc1ccc(c(c....
189 5MO5 - 4IH C17 H21 Cl N2 O2 S CS(=O)(=O)....
190 5M4I - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
191 5MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
192 5MOV - HC4 C9 H8 O3 c1cc(ccc1C....
193 5MOH - YTX C9 H10 O4 COc1cc(ccc....
194 5CSH Kd = 270 uM 54E C13 H12 Cl N c1ccc(cc1)....
195 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
196 5H8G ic50 < 0.003 uM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
197 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
198 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
199 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
200 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
201 5CU0 - 54R C18 H21 Cl N2 O CC(=O)NCCC....
202 5H8E ic50 < 0.003 uM 5Y3 C21 H25 N9 O CC(=O)Nc1c....
203 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
204 5MOE Kd = 500 uM OQC C11 H10 Cl N O c1cc(c(cc1....
205 4KWP Ki = 0.04 uM EXX C12 H10 Br4 N2 O3 c1nc2c(n1[....
206 5CSP Kd = 58 uM 54G C8 H8 O3 Cc1ccc(c(c....
207 5CTP - 54R C18 H21 Cl N2 O CC(=O)NCCC....
208 5MOW - BR9 C5 H6 Br N3 c1c(cnc(c1....
209 4UB7 Ki = 2.5 nM 3G5 C16 H8 Br2 O5 c1cc(ccc1C....
210 5MMF - JMB C16 H19 Cl N CCC[NH2+]C....
211 1PJK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
212 3NSZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
213 3AXW - TID C9 H7 N3 O2 S c1cc(ccc1c....
214 5MO6 - KXZ C19 H21 Cl N2 O3 c1ccc(cc1)....
215 2PVR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
216 3C13 - EMO C15 H10 O5 Cc1cc2c(c(....
217 5CS6 Kd = 630 uM K82 C10 H14 Cl N O CCCOc1ccc(....
218 3PE2 Ki = 0.175 nM E1B C20 H12 N4 O2 C#Cc1cccc(....
219 5CT0 - 54P C16 H18 Cl N O c1ccc(cc1)....
220 5CU6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
221 5M4C - 7EY C16 H14 N2 O2 S2 Cc1ccc(cc1....
222 5MO7 - YRA C16 H17 Cl N2 O c1ccc(cc1)....
223 3OWK ic50 = 1.5 uM 18E C16 H11 Cl N2 O Cc1cnc(c2c....
224 5MMR - H83 C17 H21 Cl N2 c1ccc(cc1)....
225 5MPJ - J2P C15 H17 Cl N CC[NH2+]Cc....
226 5CSV - GAB C7 H7 N O2 c1cc(cc(c1....
227 5MOT - HBD C7 H7 N O2 c1cc(ccc1C....
228 3R0T ic50 = 0.91 nM FU9 C22 H16 F3 N5 O2 c1cc(cc(c1....
229 3PE1 Ki = 0.38 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
230 3JUH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
231 5CLP - 42J C8 H9 Cl2 N c1cc(c(cc1....
232 3H30 Ki = 29.2 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
233 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
234 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
235 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
236 5CVF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
237 5CX9 - 551 C20 H23 Cl N2 O3 COC(=O)CC(....
238 3FHR - P4O C21 H16 N4 O c1ccc2c(c1....
239 3R1N - 05B C22 H21 N5 O3 c1cc2c(cc1....
240 3SHE - I85 C24 H22 F3 N5 O2 c1cc(cc(c1....
241 3BWJ ic50 = 2.6 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
242 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
243 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
244 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
245 5IZJ - 6J9 C10 H13 N5 c1c[nH]c2c....
246 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
247 5IZF Kd = 1.7 nM 6J9 AZ1 DAR ACA DAR NH2 n/a n/a
248 2VZ6 - FEF C20 H19 N3 O4 c1ccc2c(c1....
249 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
250 2Z7R ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
251 4UZH ic50 = 9800 nM JVE C15 H13 F N4 O c1ccc(c(c1....
252 2C6E - HPM C28 H31 N7 O4 COc1cc2c(c....
253 3H0Y ic50 = 0.006 uM 48B C23 H17 Cl F N5 O2 c1ccc(c(c1....
254 4B0G ic50 = 0.015 uM VEK C19 H21 Br N8 O Cc1cc(no1)....
255 4JBP ic50 = 41 nM YPH C34 H36 N6 O4 c1ccc(cc1)....
256 3H10 - 97B C30 H25 Cl F2 N6 O CN1CCN(CC1....
257 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
258 5EW9 Ki < 0.01 nM 5VC C22 H21 Cl F N3 O3 S c1cc(nc(c1....
259 4CEG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
260 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
261 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
262 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
263 4J8M ic50 = 48 nM CJ5 C26 H25 F3 N8 O c1cc(cc(c1....
264 5DR9 - 5E2 C16 H9 Br Cl N O2 c1cc(cc(c1....
265 4DEA ic50 = 256 nM NHI C18 H14 N4 O4 c1cc(ccc1C....
266 5DN3 Kd = 3.77 uM 5DN C16 H9 Br F N O2 c1cc(cc(c1....
267 4DEE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
268 3UOD Kd = 49 nM 0C3 C18 H13 F3 N4 O2 c1ccc(c(c1....
269 3EFW - AK8 C25 H21 F3 N6 O2 Cc1cc(ccc1....
270 5DT0 - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
271 3UO4 Kd = 299 nM 0C0 C23 H18 N4 O2 c1ccc(cc1)....
272 3UP2 Kd = 40 nM 0C8 C18 H13 F3 N4 O3 c1ccc(c(c1....
273 5DR2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
274 3DJ5 - AK5 C21 H20 Br N5 O3 S COc1ccc(cc....
275 3UOL ic50 = 3.1 nM 0C7 C17 H13 Cl N8 c1ccc(c(c1....
276 3D14 ic50 = 22 nM AK1 C19 H15 F3 N6 O S2 c1cc(cc(c1....
277 4BN1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
278 2NP8 ic50 = 42 nM CC3 C21 H18 F3 N5 O c1cc(cc(c1....
279 4JBQ - VX6 C23 H28 N8 O S Cc1cc([nH]....
280 5DRD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
281 5DPV - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
282 4UYN ic50 = 2 nM Y3M C25 H22 N4 O4 S CCOC(=O)c1....
283 5DT3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
284 2WTV Ki = 1.8 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
285 3O50 - LJE C24 H17 F3 N4 O2 Cc1cc(ccc1....
286 2J4Z ic50 = 65 nM 626 C23 H24 N6 O2 S CN1CCN(CC1....
287 3LAU ic50 = 0.044 uM OFI C17 H17 N3 O2 CCCC(=O)Nc....
288 3DAJ ic50 = 2.9 uM FXG C22 H29 N7 O2 CCCCNC(=O)....
289 4JBO ic50 = 24 nM WPH C31 H32 N6 O3 CN(C)CCOc1....
290 2C6D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
291 4KS7 - X4Z C25 H28 N8 O S Cc1nc2ccsc....
292 1M2P - HNA C14 H7 N O6 c1cc2c(c(c....
293 1LPU - BEN C7 H8 N2 [H]/N=C(c1....
294 2QC6 ic50 = 0.1 uM G12 C10 H6 Br2 O3 CC1=C(C(=O....
295 4ANM ic50 = 28 nM WUL C15 H14 Br N3 O3 c1cc2c(cc1....
296 1DAW - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
297 4RLK - E91 C21 H14 N2 O2 c1ccc2c(c1....
298 2OXD - K32 C7 H2 Br4 N2 O c12c(c(c(c....
299 2PVM Ki = 0.36 uM P29 C17 H15 N9 c1ccc(cc1)....
300 1J91 - TBS C6 H Br4 N3 c12c(c(c(c....
301 4DGO ic50 = 0.57 uM 0JW C10 H10 N2 O3 c1cc(c(cc1....
302 3FL5 - TXQ C14 H8 O6 c1cc(c(c2c....
303 3PWD ic50 = 0.22 uM CZ0 C14 H9 N O5 CC1=CC(=O)....
304 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
305 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
306 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
307 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
308 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
309 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
310 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
311 2OXY - K17 C7 H2 Br4 N2 c1[nH]c2c(....
312 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
313 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
314 2PVL Ki = 0.024 uM P55 C18 H20 N8 CCN1CCN(CC....
315 1LP4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
316 2PVN Ki = 0.00035 uM P63 C20 H16 N8 O CC(=O)Nc1c....
317 3KXG - K6X C7 H Br5 N2 c12c(c(c(c....
318 3BE9 Ki = 24 nM P04 C19 H21 N7 O c1cc2cc(c1....
319 2OXX - K22 C7 H2 Br4 N2 S c12c(c(c(c....
320 3KXM - K74 C11 H9 Br4 N3 O S CNC(=O)CSc....
321 1LR4 - BEN C7 H8 N2 [H]/N=C(c1....
322 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
323 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
324 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
325 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
326 1JKL - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
327 3F5G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
328 5AUZ ic50 = 98 uM GEN C15 H10 O5 c1cc(ccc1C....
329 1P4F - DRG C12 H11 N3 c1ccc-2c(c....
330 4TXC Kd = 0.24 uM 38G C24 H27 N5 O3 CN(C)CCN[C....
331 2YAK ic50 = 2 nM OSV C27 H31 F N4 O3 Ru S4 CC(C)Oc1cc....
332 5AUY ic50 = 1.6 uM MRI C15 H10 O7 c1cc(c(cc1....
333 3EH9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
334 1IG1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
335 5AUW ic50 = 8.9 uM QUE C15 H10 O7 c1cc(c(cc1....
336 5AV2 - KMP C15 H10 O6 c1cc(ccc1C....
337 3EHA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
338 5AV3 - KMP C15 H10 O6 c1cc(ccc1C....
339 5AUT Kd = 6.7 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
340 5AV0 ic50 = 280 uM 47X C15 H10 O5 c1cc(c(cc1....
341 1JKK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
342 3F5U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
343 5AV4 - GEN C15 H10 O5 c1cc(ccc1C....
344 5AUX ic50 = 10 uM KMP C15 H10 O6 c1cc(ccc1C....
345 5AUV ic50 = 31 uM AGI C15 H10 O5 c1cc(ccc1C....
346 2XK6 - EQH C18 H21 N3 O2 S c1csc(c1C2....
347 2WQO - VGK C21 H20 N2 O5 COc1cc(cc(....
348 2XKE ic50 = 4.2 uM WI2 C17 H20 N4 O3 COc1cccc(c....
349 2XNN - 430 C21 H16 F3 N3 O2 S C[C@H](c1c....
350 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CC[C@H]1C[....
351 3QD4 ic50 = 0.00000001 M 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
352 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
353 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
354 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
355 5ACK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
356 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
357 5LVM - ADE C5 H5 N5 c1[nH]c2c(....
358 5MRD ic50 = 36.4 uM S26 C18 H13 Cl N2 O4 S2 CCOC(=O)C1....
359 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
360 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
361 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
362 3QCS ic50 = 0.00000001 M 3Q1 C15 H17 N7 O c1cc2c(cc1....
363 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
364 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
365 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
366 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
367 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
368 5HKM ic50 = 0.013 uM 61Y C16 H15 N7 CCc1cc(nc(....
369 3QD0 ic50 = 0.00000001 M 3Q4 C24 H26 N8 O C[C@@H]1CC....
370 3ORZ - BI4 C27 H26 N4 O2 C[N@]1CCC[....
371 5LVN Kd = 20 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
372 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
373 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
374 3OTU - BI4 C27 H26 N4 O2 C[N@]1CCC[....
375 3QCX ic50 = 0.00000001 M 3Q2 C16 H19 N7 O C[C@@H]1CO....
376 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
377 5LVL Kd = 1.25 uM 537 C14 H8 N2 O c1ccc2c(c1....
378 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
379 3QCY ic50 = 0.00000001 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
380 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
381 4CT1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
382 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1[....
383 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
384 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
385 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
386 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
387 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
388 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
389 4QMP ic50 = 0.014 uM DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
390 4U8Z - 3FE C17 H15 N5 O c1cc(cc(c1....
391 4QMX ic50 = 11 uM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
392 4QMT ic50 = 0.01 uM H1N C29 H32 N4 O3 S CCS(=O)(=O....
393 4QMW ic50 = 0.086 uM KS1 C17 H17 N7 c1c[nH]c2c....
394 3A7H - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
395 4QML - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
396 4QO9 ic50 = 0.16 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
397 4QMQ ic50 = 0.26 uM 34U C24 H27 N5 O2 COCCOc1ccc....
398 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
399 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
400 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
401 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
402 5D9L ic50 = 0.024 uM 583 C15 H12 N2 O2 c1cc(ccc1c....
403 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
404 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
405 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
406 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
407 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
408 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
409 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
410 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
411 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
412 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
413 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
414 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
415 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
416 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
417 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
418 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
419 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
420 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
421 4FG9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
422 4FG8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
423 5L2T - 6ZZ C23 H30 N8 O CN(C)C(=O)....
424 5L2S - 6ZV C27 H32 F2 N8 CCN1CCN(CC....
425 4AUA ic50 = 7.2 uM 4AU C12 H9 N3 O c1ccc2c(c1....
426 2WEI ic50 = 3.4 nM VGG C17 H21 N5 Cc1cccc(c1....
427 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
428 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
429 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
430 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
431 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
432 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(C[C....
433 3CQU ic50 = 151 nM CQU C15 H13 N7 Cc1[nH]c(n....
434 3GC0 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
435 3MFU - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
436 3C0H - AMP C10 H14 N5 O7 P c1nc(c2c(n....
437 3C0I - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
438 3MFS - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
439 3C0G - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
440 3MFR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
441 4OTH ic50 = 9 nM DRN C25 H23 N5 O2 S [H]/N=C(/N....
442 4OTI ic50 = 43 nM MI1 C16 H20 N6 O C[C@@H]1CC....
443 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
444 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
445 2YAB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
446 2YAA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
447 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
448 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
449 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
450 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
451 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
452 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
453 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
454 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
455 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
456 4O0R Ki = 0.036 uM X4Z C25 H28 N8 O S Cc1nc2ccsc....
457 5IME Ki = 4.6 nM 6BZ C22 H22 Cl N7 O2 CC1=NC=CN(....
458 4ZY6 Ki = 5 nM 4T6 C18 H17 Cl N8 c1cc2c(c(c....
459 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
460 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
461 5JZJ - AN2 C10 H16 N6 O9 P2 c1nc(c2c(n....
462 5AX9 ic50 = 8 nM 4KT C24 H24 N4 O3 COc1ccc(cc....
463 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
464 4JR7 - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
465 4JQE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
466 4MWH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
467 4LFI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
468 3GGF - GVD C22 H19 N7 c1ccc2c(c1....
469 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
470 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
471 3DAK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
472 1QL6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
473 1PHK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
474 5F9E ic50 = 0.46 nM 5VS C23 H21 N5 O2 CC1(NC(=O)....
475 1XJD Ki = 0.33 nM STU C28 H26 N4 O3 C[C@@]12[C....
476 3M2W ic50 < 0.003 uM L8I C23 H21 F N4 O CN1CC2(C1)....
477 3BHY - 7CP C18 H18 Cl2 N4 O Cn1c2c(ccc....
478 2J90 - IZA C18 H16 F N3 O CC(C)(C)c1....
479 5DBX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
480 2VN9 - GVD C22 H19 N7 c1ccc2c(c1....
481 4EJN ic50 = 0.005 uM 0R4 C33 H26 F N7 O2 CC(=O)Nc1c....
482 4WNO ic50 = 160 nM 3RF C20 H19 N7 c1ccc2c(c1....
483 4WNP ic50 = 8 nM 3RJ C22 H20 N8 c1ccc2c(c1....
484 5CI7 ic50 = 120 nM 51W C18 H24 I N7 O c1cc(cc(c1....
485 5M56 - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
486 5M4U - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
487 3OFM - 4B0 C9 H7 Br4 N3 O C(Cn1c2c(c....
488 2V7O - DRN C25 H23 N5 O2 S [H]/N=C(/N....
489 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
490 4USF - 6UI C19 H15 N3 O COc1ccc2cc....
491 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
492 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: WI2; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 WI2 1 1
2 BX1 0.628205 0.949153
3 30E 0.442105 0.873016
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4A4X; Ligand: JUP; Similar sites found: 305
This union binding pocket(no: 1) in the query (biounit: 4a4x.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PDT ADP 0.00009609 0.50936 1.45455
2 3T1A 5MA 0.008132 0.40733 1.79211
3 4ZS4 ATP 0.00002466 0.51912 2.15054
4 5MW8 ATP 0.00003953 0.46787 2.15054
5 2PYW ADP 0.00002157 0.46473 2.15054
6 2YW2 ATP 0.005135 0.41281 2.15054
7 3VOT ADP 0.0006567 0.4805 2.50896
8 3W0O ADP 0.00182 0.4034 2.50896
9 3W0O HY0 0.00182 0.4034 2.50896
10 4WOP CTP 0.009315 0.41153 2.66667
11 4FE2 ADP 0.003657 0.43885 2.7451
12 5V3D FCN 0.03026 0.40572 2.75862
13 4GYI ADP 0.00008909 0.51705 2.86738
14 2CFM AMP 0.0007863 0.47662 2.86738
15 1IA9 ANP 0.0003229 0.46956 2.86738
16 4U98 ACP 0.0007958 0.46108 2.86738
17 3V4S ATP 0.0006407 0.41786 2.86738
18 3V4S ADP 0.005268 0.40795 2.86738
19 5W0N UPU 0.03808 0.40011 2.97767
20 3UDZ ADP 0.00001303 0.46701 3.22581
21 3ETH ATP 0.0008686 0.4138 3.22581
22 1IHU AF3 0.006488 0.40521 3.22581
23 1Z03 OCH 0.03621 0.40128 3.22581
24 1IHU ADP 0.007001 0.40079 3.22581
25 3X01 AMP 0.000935 0.48819 3.58423
26 3WVR AMP 0.001019 0.4608 3.58423
27 3JQ3 ADP 0.02559 0.4013 3.58423
28 4B1L FRU 0.008827 0.42593 3.63636
29 2D6M LBT 0.01382 0.41582 3.77358
30 2GQS ADP 0.002626 0.43706 3.79747
31 4CC6 L5Y 0.001235 0.47238 3.94265
32 4UWH JXM 0.007468 0.41978 3.94265
33 2YRX AMP 0.0204 0.41647 3.94265
34 4OCJ NDG 0.004212 0.41424 3.94265
35 3IAA TYD 0.006462 0.40846 3.94265
36 4N7C AEF 0.03356 0.40239 3.97727
37 1EHI ADP 0.003516 0.42353 4.24403
38 3ORQ ADP 0.0003463 0.46375 4.30108
39 3TII ANP 0.002645 0.45046 4.30108
40 1I7L ATP 0.001056 0.41939 4.30108
41 2PUZ NIG 0.02357 0.41116 4.30108
42 1S9D AFB 0.01257 0.41676 4.4335
43 1I06 TZL 0.005619 0.44387 4.44444
44 5I35 ANP 0.00002834 0.52814 4.6595
45 4IV9 TSR 0.0006486 0.5083 4.6595
46 3K5I ADP 0.0006016 0.45332 4.6595
47 3URB DPF 0.02214 0.41369 4.6595
48 1Q8A HCS 0.02546 0.40977 4.6595
49 4WW7 AMP 0.0000177 0.4757 4.81283
50 4QPW XYP XYP XYP 0.02723 0.40526 4.92958
51 2IF8 ADP 0.0002968 0.51061 5.01792
52 5GZ9 ANP 0.000003792 0.50599 5.01792
53 2JKG PRO PRO PRO PRO PRO PRO PRO PRO 0.0133 0.41807 5.02793
54 2QX0 PH2 0.001071 0.48652 5.03145
55 3AB4 THR 0.009374 0.42312 5.05618
56 2DTJ THR 0.01953 0.4072 5.05618
57 2CBT TH2 0.0251 0.40971 5.35714
58 4RDL FUC GAL NDG FUC 0.008106 0.43734 5.37634
59 3OKP GDD 0.01282 0.40861 5.37634
60 2IO8 ADP 0.005259 0.40302 5.37634
61 1KJ1 MAN 0.0347 0.40597 5.50459
62 4OCV ANP 0.0004839 0.46177 5.73477
63 2VPQ ANP 0.0002964 0.43525 5.73477
64 1VRP IOM 0.01694 0.42364 5.73477
65 5LXT ACP 0.004339 0.4095 5.73477
66 1VRP ADP 0.01448 0.4061 5.73477
67 1J3R 6PG 0.01208 0.41763 5.78947
68 1OIJ AKG 0.007405 0.43772 6.09319
69 2XZ9 PYR 0.02546 0.40981 6.09319
70 5VZ0 ADP 0.0004782 0.40833 6.09319
71 3ZGJ RMN 0.03067 0.40511 6.09319
72 1ZP9 ATP 0.00004671 0.52419 6.20155
73 1ZTH ADP 0.00002095 0.42582 6.20155
74 2RIF AMP 0.0165 0.4034 6.38298
75 3VPC ADP 0.0000574 0.49274 6.45161
76 2BKK ADP 0.005126 0.43173 6.50888
77 4CPB GAL CN8 0.024 0.41456 6.61157
78 1QXA GLY GLY GLY 0.03244 0.40158 6.80851
79 3I0O ADP 0.0003244 0.49571 6.81004
80 1C1X HFA 0.01031 0.41697 6.81004
81 5FCF GLY GLY GLY 0.01411 0.41451 6.81004
82 1BW9 PPY 0.01141 0.41102 6.81004
83 1T36 ADP 0.002742 0.41013 6.81004
84 2YMZ LAT 0.009627 0.40923 6.92308
85 3VPB ADP 0.00004483 0.48345 7.14286
86 3VPB GLU 0.02207 0.41478 7.14286
87 4DFU QUE 0.004392 0.44947 7.16846
88 5C4L 4XR 0.0004745 0.44517 7.16846
89 5C4L SIS 0.001873 0.42112 7.16846
90 5NCY 8TK 0.0007533 0.4168 7.16846
91 3DGY 2GP 0.002974 0.46067 7.2165
92 1TZD ADP 0.001235 0.48208 7.27273
93 5K2M ADP 0.0001544 0.44979 7.32601
94 4LI4 AMP 0.006092 0.43708 7.35294
95 2PUL ACP 0.000003752 0.5688 7.52688
96 3TDV GDP 0.0003206 0.47441 7.52688
97 4D4U FUC GAL NAG 0.01699 0.42122 7.52688
98 1W2D ADP 0.000317 0.4962 7.54717
99 1TQP ATP 0.00002197 0.50058 7.8853
100 4ANW O92 0.0001067 0.4373 8.24373
101 5T7I LAT NAG GAL 0.02829 0.40797 8.3871
102 4R78 AMP 0.0004351 0.49545 8.41424
103 5MRH Q9Z 0.01676 0.41461 8.60215
104 1CKM GTP 0.02519 0.40551 8.96057
105 4Z4P SAH 0.007527 0.41584 9.03614
106 4JOB TLA 0.007639 0.42956 9.319
107 4Q5H ANP 0.00001356 0.53665 9.61539
108 4QM9 CYS 0.007307 0.4391 9.82659
109 4CS9 AMP 0.006852 0.42632 10.0529
110 2VQD AP2 0.00021 0.47319 10.3943
111 4XYM A12 0.0007477 0.40636 10.8696
112 1CBK ROI 0.006173 0.44405 11.25
113 3ZJX BOG 0.02217 0.41406 11.828
114 4CYI ATP 0.00003688 0.45527 11.8721
115 4BQS ADP 0.02031 0.41457 12.5
116 5MY8 RXZ 0.0000009282 0.53971 12.5448
117 3EZ2 ADP 0.03164 0.4004 12.9032
118 3HAV ATP 0.0002941 0.51327 13.2616
119 2CSN CKI 0.0009372 0.4583 13.2616
120 1QKQ MAN 0.002414 0.43303 13.3803
121 1PK8 ATP 0.000472 0.44231 13.6201
122 4FFG LBS 0.005656 0.41498 13.6201
123 4AZT LY2 0.0003142 0.4964 14.3369
124 4LH7 1X8 0.002175 0.465 14.3369
125 4OAV ACP 0.0000007379 0.60149 15.0538
126 2QLU ADE 0.000004856 0.60638 15.4122
127 4O1P ANP 0.0000004147 0.51141 15.4122
128 5X8I SQZ 0.0000003104 0.61096 15.7706
129 4KBA 1QM 0.00004209 0.47349 16.129
130 4XMF HSM 0.003497 0.44709 16.3043
131 4YLL 4E3 0.000001477 0.52107 18.638
132 4XH0 ADP 0.0000003487 0.67003 21.5054
133 5IQD GNP 0.0006061 0.4478 23.6559
134 5IQD RIO 0.0006504 0.4478 23.6559
135 3PP0 03Q 0.00001184 0.50202 24.3728
136 3VHE 42Q 0.0000006519 0.52677 25.8065
137 4L9I 8PR 0.00003371 0.52465 26.1649
138 5ML3 DL3 0.00838 0.40187 26.1745
139 1VJY 460 0.0000001993 0.5304 26.5233
140 5C03 AGS 0.000001606 0.57863 26.8817
141 4WOV 3SM 0.0000003978 0.63091 27.2401
142 3H9R TAK 0.000001084 0.62789 27.2401
143 4IX4 ADP 0.00005166 0.45625 28.3154
144 4CRL C1I 0.000006173 0.47387 30.466
145 3KMW ATP 0.0000007138 0.60216 31.7343
146 3LXN MI1 0.0000006373 0.58262 33.3333
147 3GNI ATP 0.000001953 0.56148 33.3333
148 4GJ3 0XP 0.00000006366 0.55531 33.3333
149 4E1Z 0MX 0.00000174 0.55145 33.3333
150 5CKW ANP 0.00004908 0.42118 33.3333
151 5T8O 76Z 0.000001738 0.56368 33.6918
152 2WU6 DKI 0.00000001481 0.63793 34.0502
153 3UIM ANP 0.000001277 0.58314 34.0502
154 3PLS ANP 0.00000001653 0.67788 34.4086
155 4IZY 1J2 0.0000001163 0.61473 34.4086
156 3E7O 35F 0.000007868 0.47419 34.4086
157 3TTI KBI 0.000001104 0.53494 34.767
158 4WHZ 3NL 0.00003042 0.40168 34.767
159 4UX9 ANP 0.000002426 0.55739 35.1254
160 4Y85 499 0.00002972 0.52719 35.1254
161 5AWM ANP 0.000005797 0.58244 35.4839
162 5CEO 50D 0.0000005285 0.51052 35.4839
163 3PTG 932 0.0000009769 0.46832 35.4839
164 1XJD STU 0.0000003664 0.60021 36.2007
165 3GC0 AMP 0.000003327 0.58622 36.2007
166 5JKG 6LF 0.000002215 0.54976 36.2007
167 4BKJ STI 0.0005706 0.43151 36.2007
168 4CLI 5P8 0.000000003787 0.67373 36.5591
169 2XVD AS6 0.00000004552 0.57724 36.5591
170 3LXK MI1 0.000002631 0.51991 36.5591
171 5EKO N17 0.0002068 0.4385 36.5591
172 3ZRM ZRM 0.00000001039 0.56199 36.9176
173 3F7Z 34O 0.00000008839 0.53559 36.9176
174 5LXC 7AA 0.0000001882 0.50858 36.9176
175 5EOB 5QQ 0.00000002493 0.65319 36.9906
176 4NM5 ADP 0.000000002616 0.66938 37.276
177 5HX8 66P 0.0000003644 0.56173 37.276
178 2JLD AG1 0.0000004541 0.51317 37.276
179 3TXO 07U 0.0000007336 0.48606 37.276
180 3BZ3 YAM 0.000001615 0.41415 37.3188
181 4BCN T9N 0.00000004691 0.67589 37.6344
182 1V0O INR 0.0000007195 0.58721 37.6344
183 2XMY CDK 0.00001031 0.54943 37.6344
184 5TO8 7FM 0.0000000976 0.50228 37.6344
185 5LMK 6ZK 0.000004919 0.45987 37.6344
186 2BPM 529 0.0000001699 0.45508 37.6344
187 4BCM T7Z 0.00000009686 0.69261 37.9928
188 4CFU 2WC 0.00000003386 0.67283 37.9928
189 5LI9 ACP 0.000002708 0.56168 37.9928
190 5LI1 ANP 0.0000019 0.51079 37.9928
191 4BCQ TJF 0.0000001183 0.49561 37.9928
192 5DBX ANP 0.000002419 0.46491 37.9928
193 1CM8 ANP 0.00002829 0.4479 37.9928
194 4DC2 ADE 0.00000009695 0.43754 37.9928
195 5LPZ ADP 0.000000002595 0.70509 38.3513
196 4FL3 ANP 0.00000002551 0.63555 38.3513
197 4YZC STU 0.000002791 0.54397 38.3513
198 5LPB ADP 0.00000002042 0.51704 38.3513
199 3LQV ADE 0.003263 0.46983 38.4615
200 2ZV2 609 0.0000004824 0.63602 38.7097
201 1U5R ATP 0.0000002399 0.61603 38.7097
202 4H3P ANP 0.00000003982 0.65137 39.0681
203 3RI1 3RH 0.0000001678 0.57503 39.0681
204 4H3Q ANP 0.0000004932 0.53699 39.0681
205 4K33 ACP 0.000000947 0.50598 39.0681
206 5DA3 58V 0.0000001205 0.66591 39.2453
207 4QTB 38Z 0.0000001224 0.58528 39.4265
208 3GQI ACP 0.000001421 0.58104 39.4265
209 5BYZ 4WE 0.000007412 0.48313 39.4265
210 1UNH IXM 0.00000003758 0.68056 39.7849
211 4IDT T28 0.0000002925 0.6201 39.7849
212 5UR1 YY9 0.0000001045 0.61152 39.7849
213 3GC8 B45 0.000002325 0.55206 39.7849
214 5NKB 8ZT 0.000000003222 0.52785 39.7849
215 3O0G 3O0 0.0000003607 0.50716 39.7849
216 3C1X CKK 0.00002708 0.50664 39.7849
217 4AU8 Z3R 0.00000348 0.59344 40.1434
218 4OTH DRN 0.0000003944 0.58488 40.1434
219 4YMJ 4EJ 0.000000001343 0.80132 40.5018
220 4FF8 14S 0.0000007166 0.47124 40.5018
221 5U6C 7YS 0.0000000002438 0.72159 40.8602
222 3G5D 1N1 0.000000003991 0.68901 40.8602
223 1Y57 MPZ 0.0000000009635 0.68751 40.8602
224 2H8H H8H 0.00000008688 0.63602 40.8602
225 1OUK 084 0.000001418 0.6123 40.8602
226 5HES 032 0.0000009274 0.51992 40.8602
227 5MJA 7O3 0.0000005364 0.48879 40.8602
228 4LOO SB4 0.00004136 0.44562 40.8602
229 5KO1 6UY 0.000000009343 0.68934 41.2186
230 1U59 STU 0.0000001269 0.62856 41.2186
231 5JFS 6K0 0.00000005476 0.6198 41.2186
232 2Y6O 1N1 0.00000005468 0.5619 41.2186
233 4AUA 4AU 0.000009151 0.55087 41.2186
234 4E93 GUI 0.000000073 0.54383 41.2186
235 2B9J ADP 0.000001313 0.58991 41.5771
236 2B9I ADP 0.000001307 0.58268 41.5771
237 3SLS ANP 0.000001371 0.56184 41.5771
238 2B9H ADP 0.0000007143 0.5125 41.5771
239 2B9F ADP 0.0000006645 0.50896 41.5771
240 1JPA ANP 0.0000002936 0.67044 41.9355
241 4NST ADP 0.000001243 0.58367 41.9355
242 3VRY B43 0.0000009065 0.5516 41.9355
243 5EFQ ADP 0.0000003344 0.51812 41.9355
244 4WNK 453 0.000008535 0.48644 41.9355
245 1OPK P16 0.00001439 0.47054 41.9355
246 4RFM 3P6 0.0000001478 0.45238 42.1053
247 4EWH T77 0.000000584 0.54473 42.1818
248 4BHN BH9 0.0000001083 0.61608 42.2939
249 3E8N VRA 0.000000922 0.45081 42.2939
250 3E8N ATP 0.000000922 0.45081 42.2939
251 3KRL KRL 0.00000008797 0.61265 42.6523
252 4AT3 LTI 0.0000001866 0.54455 42.6523
253 4BTK DTQ 0.00002212 0.45315 42.6523
254 1K3A ACP 0.00000001489 0.70003 43.0108
255 2PVF ACP 0.0000000771 0.64691 43.0108
256 5UOX 8GY 0.00000006147 0.61928 43.1734
257 2HK5 1BM 0.00000005115 0.55558 43.3333
258 3NW7 LGV 0.0000006438 0.5829 43.3692
259 3BU5 ATP 0.00000004635 0.54302 43.3692
260 4XLI 1N1 0.0000000982 0.64205 43.6567
261 3EKK GS2 0.000000006575 0.54683 43.7276
262 5HCY 60D 0.0000000101 0.50624 43.7276
263 4TWP AXI 0.0000002337 0.46009 43.9114
264 4CSV STI 0.00003535 0.49681 44
265 2X2M X2M 0.0000003915 0.53497 44.086
266 4P5Z Q7M 0.00000001216 0.53039 44.086
267 5UKL SIX 0.00001606 0.4988 44.086
268 3PVW QRX 0.0001058 0.46445 44.086
269 4U0I 0LI 0.00004268 0.45299 44.086
270 2OO8 RAJ 0.0006714 0.44723 44.086
271 3SRV S19 0.00000007618 0.53096 44.4043
272 2OFV 242 0.0000006102 0.4937 44.4043
273 1BYG STU 0.0000001138 0.64791 44.4444
274 5HQ0 LZ9 0.0000002331 0.60161 44.4444
275 5JGA 6KC 0.0000003412 0.52017 44.4444
276 4Y93 746 0.0000005178 0.56139 44.8029
277 4F4P 0SB 0.00000003357 0.65296 45.0549
278 5USZ SKE 0.0000000988 0.57467 45.1613
279 4WB6 ATP 0.00001771 0.49511 45.1613
280 4WB7 ATP 0.00004594 0.43499 45.5197
281 5H2U 1N1 0.0000003456 0.60885 45.8781
282 2F57 23D 0.0000000002073 0.7776 46.2366
283 2GU8 796 0.0000003502 0.60493 46.2366
284 3IDB ANP 0.000008192 0.52334 46.2366
285 1RE8 BD2 0.00002725 0.51408 46.2366
286 2QCS ANP 0.00001008 0.50478 46.2366
287 3FHI ANP 0.00001286 0.50059 46.2366
288 5VC5 96M 0.0000000003107 0.68597 46.595
289 3KRR DQX 0.000001174 0.59001 46.595
290 3ALN ANP 0.00000466 0.54507 46.595
291 4ASE AV9 0.000000752 0.53954 46.595
292 4AG8 AXI 0.0000002327 0.50568 46.595
293 2VZ6 FEF 0.00001209 0.55908 46.9534
294 5TA6 79D 0.0000002076 0.56089 47.3118
295 4QMN DB8 0.000000007094 0.55367 47.3118
296 4D2S DYK 0.0000001534 0.49912 47.3118
297 5FBN 5WF 0.00000006539 0.60712 47.6015
298 3HMO STU 0.00000002229 0.67187 47.6702
299 2VN9 GVD 0.0000002617 0.47559 47.6702
300 2WEL K88 0.0000001398 0.46 47.6702
301 5N87 N66 0.000000234 0.50728 48.0287
302 2V7O DRN 0.0000000872 0.48974 48.3871
303 3SXS PP2 0.0000001537 0.60947 48.5075
304 4FG8 ATP 0.00001182 0.47641 49.4624
305 3SXF BK5 0.00002609 0.44655 49.8208
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