Receptor
PDB id Resolution Class Description Source Keywords
4BDI 2.32 Å EC: 2.7.11.1 FRAGMENT-BASED SCREENING IDENTIFIES A NEW AREA FOR INHIBITOR BINDING TO CHECKPOINT KINASE 2 (CHK2) HOMO SAPIENS TRANSFERASE
Ref.: FRAGMENT-BASED SCREENING MAPS INHIBITOR INTERACTION ATP-BINDING SITE OF CHECKPOINT KINASE 2. PLOS ONE V. 8 65689 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:1525;
A:1521;
A:1524;
A:1523;
A:1522;
A:1520;
A:1519;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NO3 A:1517;
Invalid;
none;
submit data
62.005 N O3 [N+](...
CL A:1518;
Invalid;
none;
submit data
35.453 Cl [Cl-]
HAU A:1516;
Valid;
none;
ic50 = 227.7 uM
261.32 C14 H19 N3 O2 Cc1cc...
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 107 families.
1 2YCQ ic50 = 0.14 nM UPX C20 H17 N7 O3 C/C(=NNc1[....
2 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
3 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
4 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
5 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
6 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
7 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
8 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 C/C(=NO)/c....
9 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
10 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
11 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
12 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
13 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
14 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
15 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
16 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
17 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
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 82 families.
1 2YCQ ic50 = 0.14 nM UPX C20 H17 N7 O3 C/C(=NNc1[....
2 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
3 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
4 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
5 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
6 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
7 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
8 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 C/C(=NO)/c....
9 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
10 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
11 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
12 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
13 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
14 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
15 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
16 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
17 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
18 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
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: HAU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HAU 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XK9; Ligand: XK9; Similar sites found: 912
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) Sequence Similarity
1 3RF4 FUN 0.0003355 0.48659 None
2 2QLX RM4 0.001873 0.47322 None
3 1QD0 RR6 0.0006681 0.45579 None
4 2BOI MFU 0.002053 0.45174 None
5 3RGG AIR 0.002378 0.43826 None
6 1RDS GPC 0.00737 0.43043 None
7 4F4S EFO 0.006614 0.4292 None
8 1OGX EQU 0.008382 0.42769 None
9 1Q6O LG6 0.0005062 0.45036 0.925926
10 3ORQ ADP 0.002991 0.43399 0.931677
11 1QDS PGA 0.002061 0.44086 1.19522
12 4CCN OGA 0.0003017 0.5036 1.24224
13 4CCO OGA 0.0002628 0.49129 1.24224
14 1KTC NGA 0.001212 0.46188 1.24224
15 2W8Q SIN 0.01246 0.43283 1.24224
16 3EE4 MYR 0.001576 0.41553 1.24224
17 1WRA PC 0.00679 0.44579 1.2987
18 2Q1A 2KT 0.001972 0.46505 1.36519
19 1I2L DCS 0.0006527 0.43284 1.48699
20 2JAR UMP 0.006429 0.40081 1.5
21 2Q09 DI6 0.0008451 0.46272 1.5528
22 1P9B HDA 0.002252 0.4559 1.5528
23 4BG1 OGA 0.0001222 0.45404 1.5528
24 4BG1 IVL 0.0001222 0.45404 1.5528
25 3CL5 SIO 0.01325 0.43151 1.5528
26 1Y42 TYR 0.009991 0.42123 1.5528
27 1OFL NGK GCD 0.01843 0.41871 1.5528
28 4J7H TLO 0.001815 0.41339 1.5528
29 4J7H TRH 0.002542 0.41184 1.5528
30 1LL2 UPG 0.00261 0.40792 1.5528
31 1P9B IMO 0.002194 0.40068 1.5528
32 1GSA ADP 0.0001259 0.48678 1.58228
33 1GSA GSH 0.001008 0.43017 1.58228
34 3ZF8 GDP 0.002127 0.44028 1.63934
35 3B1F NAD 0.002451 0.40548 1.72414
36 3KYF 5GP 5GP 0.0006616 0.46144 1.7316
37 3ZV6 NAD 0.0000261 0.40548 1.77936
38 1EYE PMM 0.001703 0.43931 1.78571
39 3IHB TRS 0.001766 0.54378 1.86335
40 4M5P MLA 0.001935 0.49847 1.86335
41 3IHB GLU 0.002902 0.4639 1.86335
42 1VBH PEP 0.002002 0.45824 1.86335
43 1P1M MET 0.0001258 0.44916 1.86335
44 1ZGA SAH 0.0009486 0.44462 1.86335
45 3JDW ORN 0.0008697 0.44133 1.86335
46 1CKM GTP 0.01193 0.43223 1.86335
47 3DGB MUC 0.002645 0.43155 1.86335
48 4M5P FMN 0.0007168 0.4274 1.86335
49 3A1I UNU 0.004352 0.4273 1.86335
50 1CKN GTP 0.01562 0.42605 1.86335
51 4M5P 23W 0.02567 0.423 1.86335
52 4KOA NDP 0.003006 0.41666 1.86335
53 1UOU CMU 0.005016 0.41607 1.86335
54 1ZGA HMK 0.007597 0.41294 1.86335
55 1FBL HTA 0.01122 0.41009 1.86335
56 4G1V FAD 0.005009 0.40451 1.86335
57 2YB9 HA0 0.0005441 0.40405 1.86335
58 2EJU SAH 0.00597 0.40198 1.86335
59 2QHV OC9 0.03906 0.40494 1.90476
60 3PMA SCR 0.003222 0.44306 1.9305
61 3VPQ GSH 0.03582 0.40064 1.96078
62 2XEM SSV 0.01626 0.42104 2
63 3THR C2F 0.02229 0.40351 2.04778
64 3PXP MYR 0.001862 0.42445 2.05479
65 1XVA SAM 0.001558 0.4194 2.05479
66 2WUF KEM 0.0006117 0.42219 2.06186
67 3NNF AKG 0.000191 0.51298 2.17391
68 1R6W 164 0.0000992 0.47752 2.17391
69 3CQ5 PMP 0.0007438 0.4651 2.17391
70 3O2K QRP 0.002588 0.43672 2.17391
71 1JIL 485 0.0006959 0.43185 2.17391
72 3SIX GDP 0.002656 0.43148 2.17391
73 3LST SAH 0.00235 0.42907 2.17391
74 1H0C AOA 0.01961 0.42311 2.17391
75 3QO8 SSA 0.003548 0.41788 2.17391
76 3O2K DST 0.02985 0.41519 2.17391
77 4QDF 30Q 0.0151 0.41166 2.17391
78 4OCJ NDG 0.001066 0.40671 2.17391
79 4QDC ASD 0.0008793 0.40543 2.17391
80 2ZBA ZBA 0.02456 0.40472 2.17391
81 1HK8 DGT 0.008002 0.40072 2.17391
82 1TZD ADP 0.0009829 0.49469 2.18182
83 1O68 KIV 0.01052 0.42023 2.18182
84 1KYQ NAD 0.00391 0.4087 2.18978
85 1A8S PPI 0.01513 0.40266 2.1978
86 4HZO COA 0.0001596 0.50088 2.20126
87 3EW2 BTN 0.002934 0.43948 2.22222
88 3W68 VIV 0.02161 0.4157 2.25564
89 3ZEI AWH 0.0004116 0.41065 2.25806
90 1OGD RIP 0.005595 0.43242 2.29008
91 3UBW 6SP 0.01004 0.45666 2.29885
92 1GEE NAD 0.0006363 0.40208 2.29885
93 4Q0A 4OA 0.002701 0.41456 2.31788
94 1TRD PGH 0.0038 0.42517 2.4
95 2IF8 ADP 0.000574 0.50768 2.48447
96 3DG6 MUC 0.00004496 0.49682 2.48447
97 2Q3M MLA 0.003099 0.47806 2.48447
98 4AQL TXC 0.0002516 0.45695 2.48447
99 1PEA ACM 0.006984 0.45192 2.48447
100 1H16 PYR 0.007459 0.45047 2.48447
101 4E28 9MZ 0.005262 0.44487 2.48447
102 1PX8 XYP 0.004612 0.44164 2.48447
103 1QZZ SAM 0.001161 0.44116 2.48447
104 3QV9 QV7 0.005265 0.43901 2.48447
105 2R42 FPS 0.000452 0.43851 2.48447
106 1SOW OXL 0.0178 0.43778 2.48447
107 1WDA BAG 0.003781 0.43475 2.48447
108 2YFT DQR 0.001569 0.4315 2.48447
109 4E28 0MZ 0.008104 0.43042 2.48447
110 2JC9 ADN 0.008412 0.42455 2.48447
111 1Z45 GAL 0.01162 0.41832 2.48447
112 3AVR OGA 0.02971 0.41712 2.48447
113 3UER BTU 0.006485 0.41573 2.48447
114 3UER TUR 0.006485 0.41573 2.48447
115 4IHQ ADP 0.01084 0.41504 2.48447
116 2RCN GDP 0.01292 0.40751 2.48447
117 3PGU OLA 0.03037 0.407 2.48447
118 1Z45 UPG 0.005714 0.40268 2.48447
119 4A6F SEP 0.01029 0.45837 2.5
120 1YOA FMN 0.002872 0.49944 2.51572
121 1YOA FAD 0.0001832 0.44364 2.51572
122 4LXH C1E 0.0002954 0.45435 2.52708
123 1QH9 LAC 0.02755 0.41065 2.58621
124 3HPY MCT 0.04674 0.40453 2.589
125 1Y9Q MED 0.02025 0.42551 2.60417
126 1QR0 COA 0.001236 0.45012 2.63158
127 4B4D FAD 0.0002968 0.44068 2.67176
128 3RKR NAP 0.00786 0.41656 2.67176
129 3CEV ARG 0.001352 0.45395 2.67559
130 3GD8 BOG 0.02397 0.42453 2.69058
131 1EYQ NAR 0.001048 0.45871 2.7027
132 4OCT AKG 0.004476 0.4498 2.7027
133 3E2M E2M 0.001628 0.43202 2.7027
134 4BT5 23B 0.001533 0.4516 2.72374
135 1HQL GLA MBG 0.009758 0.43805 2.72374
136 1Z6K OAA 0.003676 0.42802 2.73038
137 4IMG NGF 0.001257 0.42272 2.73038
138 4OJ8 AKG 0.002831 0.41018 2.73038
139 1HGX 5GP 0.01766 0.42323 2.73224
140 3WCS MAN NAG 0.003753 0.44012 2.75591
141 3WCS MAN NAG GAL 0.006302 0.42058 2.75591
142 2Q37 3AL 0.0005459 0.48405 2.76243
143 2AQX ATP 0.006086 0.41689 2.76817
144 3GX0 GDS 0.002629 0.41132 2.7907
145 4OCV ANP 0.0001552 0.49655 2.79503
146 1NML CIT 0.002632 0.44695 2.79503
147 1F1V DHY 0.002666 0.44128 2.79503
148 2D0V PQQ 0.0004483 0.43863 2.79503
149 2IZ1 ATR 0.008108 0.43596 2.79503
150 1ECC PCP 0.0004111 0.42789 2.79503
151 4R33 TRP 0.00003891 0.4233 2.79503
152 4R33 SAH 0.00003891 0.4233 2.79503
153 1YHM AHD 0.01331 0.42052 2.79503
154 3HB5 E2B 0.0006301 0.4182 2.79503
155 3MD0 GDP 0.009295 0.41792 2.79503
156 2R5V HHH 0.01579 0.41783 2.79503
157 3CKJ CIT 0.0004966 0.41465 2.79503
158 3M31 FAD 0.001386 0.41043 2.79503
159 1C7R PA5 0.01102 0.41042 2.79503
160 4RJK PYR 0.0455 0.41015 2.79503
161 3TY5 ADP 0.01999 0.40913 2.79503
162 4OB6 S2T 0.006565 0.4076 2.79503
163 4RJK TPP 0.0007956 0.40521 2.79503
164 1UBY DMA 0.006423 0.4043 2.79503
165 1LCP PLU 0.001555 0.40237 2.79503
166 2XCG XCG 0.0006225 0.40236 2.79503
167 3Q9T FAY 0.0004485 0.40018 2.79503
168 1JQI CAA 0.002296 0.40004 2.79503
169 3IL6 B83 0.002178 0.41422 2.80374
170 2QGI UDP 0.008773 0.42884 2.82258
171 4E13 NAD 0.0009243 0.42357 2.82686
172 3VPC ADP 0.001447 0.44445 2.83688
173 2WK1 SAH 0.001018 0.42212 2.83688
174 4KGM ATP 0.001081 0.44731 2.85714
175 1NHZ 486 0.003442 0.40048 2.85714
176 1HYE NAP 0.001028 0.41473 2.8754
177 1UAY ADN 0.001874 0.43295 2.89256
178 1MZV AMP 0.03327 0.40494 2.97872
179 3LM9 ADP 0.003417 0.42704 2.98013
180 4B9E FAH 0.01237 0.43297 2.99003
181 3D3H M4O 0.003731 0.41704 3
182 3CBG FER 0.002052 0.48753 3.01724
183 3CBG 4FE 0.03241 0.43065 3.01724
184 3CBG SAH 0.001373 0.42939 3.01724
185 2HW1 ANP 0.0002448 0.44358 3.02013
186 2HW1 FRU 0.01309 0.42085 3.02013
187 4FGC PQ0 0.0007701 0.47722 3.0303
188 2OHV NHL 0.007546 0.42182 3.0303
189 2QCX PF1 0.000938 0.4733 3.04183
190 2BZ1 TAU 0.003235 0.49646 3.06122
191 3O03 GCO 0.0006118 0.51531 3.09278
192 2UYN 2KT 0.009326 0.44344 3.10078
193 2C2A ADP 0.002872 0.4174 3.10078
194 1RYI GOA 0.0001311 0.58137 3.10559
195 2XUM OGA 0.0006034 0.48937 3.10559
196 1GPJ CIT 0.001845 0.46641 3.10559
197 4W6Z ETF 0.005262 0.46589 3.10559
198 2PP3 LGT 0.0003219 0.46312 3.10559
199 2VPQ ANP 0.0005791 0.4581 3.10559
200 3TFC PEP 0.001681 0.45558 3.10559
201 1A59 CIT 0.004858 0.45293 3.10559
202 3GTD MLI 0.006133 0.43597 3.10559
203 3PC3 P1T 0.0005145 0.43239 3.10559
204 4LHM AZZ 0.01095 0.42441 3.10559
205 4AXD ANP 0.0003807 0.42212 3.10559
206 3UDZ ADP 0.00002299 0.4188 3.10559
207 1BUC CAA 0.0006126 0.41859 3.10559
208 1ZED PNP 0.02508 0.41782 3.10559
209 4DEC UDP 0.0004198 0.4169 3.10559
210 4DEC 3PG 0.0004198 0.4169 3.10559
211 1B63 ANP 0.001241 0.4155 3.10559
212 1QS8 IVA VAL VAL STA ALA STA 0.001288 0.41496 3.10559
213 2CFM AMP 0.02884 0.40817 3.10559
214 1TUF AZ1 0.002148 0.40098 3.10559
215 1EJE FMN 0.005206 0.40415 3.125
216 1T0I FMN 0.0001488 0.46045 3.14136
217 1SGJ OAA 0.03884 0.41595 3.16901
218 1NJR XYL 0.0006142 0.4086 3.16901
219 1JH7 UVC 0.01043 0.42539 3.1746
220 3JQM GTP 0.007904 0.42095 3.18471
221 1R5A GTS 0.01144 0.41402 3.21101
222 3LTW HLZ 0.0002777 0.5053 3.21429
223 1IA9 ANP 0.0001548 0.49661 3.21429
224 1SQ5 PAU 0.004204 0.43793 3.24675
225 3PNA CMP 0.01395 0.42865 3.24675
226 1SQ5 ADP 0.01362 0.40261 3.24675
227 2P69 PLP 0.01803 0.42937 3.26797
228 3WBF API 0.0001095 0.41442 3.27869
229 3QP4 HL0 0.001673 0.43042 3.2967
230 1Y13 BIO 0.001789 0.44343 3.31492
231 3UDG TMP 0.002311 0.4848 3.32226
232 1ZX5 LFR 0.02739 0.43359 3.33333
233 2ED4 NAD 0.03332 0.41284 3.3557
234 1AUA BOG 0.001159 0.46275 3.37838
235 2WA4 069 0.0004186 0.49673 3.41615
236 3P3N AKG 0.0005942 0.48968 3.41615
237 3L24 GOA 0.005475 0.46497 3.41615
238 4B7E OGA 0.001764 0.46075 3.41615
239 2NVK NAP 0.001407 0.45901 3.41615
240 2CE7 ADP 0.0007008 0.4498 3.41615
241 4USS GSH 0.002673 0.44666 3.41615
242 3K5X P8D 0.001608 0.44535 3.41615
243 3W54 RNB 0.0009971 0.44376 3.41615
244 1YBH P22 0.002303 0.43884 3.41615
245 2Y0I AKG 0.006293 0.43546 3.41615
246 4IVG ANP 0.0003486 0.43026 3.41615
247 2XN5 FUN 0.01145 0.42887 3.41615
248 1TFZ 869 0.001164 0.4239 3.41615
249 3V1U HXC 0.007639 0.41708 3.41615
250 3S7O LBV 0.0002567 0.41035 3.41615
251 3ZGJ RMN 0.03664 0.41033 3.41615
252 3A16 PXO 0.02937 0.41032 3.41615
253 1EHI ADP 0.01176 0.41025 3.41615
254 2HEK GDP 0.01383 0.40628 3.41615
255 3V1U NAD 0.001775 0.40056 3.41615
256 4WX0 HXD 0.0005961 0.44763 3.42205
257 2PVQ GSH 0.002891 0.41729 3.48259
258 1ZTH ADP 0.00002092 0.56896 3.48837
259 1ZP9 ATP 0.00002117 0.55464 3.48837
260 3E6J DR2 0.03151 0.42783 3.49345
261 2VMD MBG 0.02753 0.42767 3.50195
262 1LOR BMP 0.0004982 0.4082 3.50877
263 3BY8 MLT 0.01163 0.43429 3.52113
264 4FE2 ADP 0.00743 0.43427 3.52941
265 4FE2 AIR 0.01675 0.42036 3.52941
266 3RGA LSB 0.002326 0.45062 3.53357
267 2JBH 5GP 0.0141 0.42841 3.55556
268 4JWX 1N4 0.006193 0.43046 3.57143
269 4JCA CIT 0.04996 0.42008 3.59281
270 1I1Q TRP 0.0005142 0.47199 3.64583
271 1A4K FRA 0.00902 0.42828 3.65297
272 2B7N NTM 0.004333 0.44289 3.663
273 1C3V PDC 0.01563 0.41731 3.67347
274 3I0O ADP 0.00014 0.52676 3.72671
275 1RZM E4P 0.006592 0.44642 3.72671
276 3JQ3 ADP 0.001672 0.44464 3.72671
277 1RZM PEP 0.003036 0.44421 3.72671
278 1YOE RIB 0.002703 0.44101 3.72671
279 1PK8 ATP 0.00127 0.43652 3.72671
280 1P72 THM 0.004678 0.43588 3.72671
281 1E4E PHY 0.001361 0.43386 3.72671
282 1WVG APR 0.0001916 0.43109 3.72671
283 1E2S CSN 0.00213 0.43076 3.72671
284 4KCT FDP 0.003277 0.42777 3.72671
285 1NNS ASP 0.005961 0.42159 3.72671
286 1KYZ SAH 0.002087 0.41865 3.72671
287 3I0O SMI 0.01674 0.41593 3.72671
288 3A2Q ACA ACA 0.003695 0.4133 3.72671
289 1WVG CXY 0.002399 0.4058 3.72671
290 1E4E ADP 0.01501 0.40536 3.72671
291 3IB1 IMN 0.04914 0.40333 3.72671
292 3ULK NDP 0.0029 0.40301 3.72671
293 3S6T OAN 0.007696 0.40136 3.72671
294 2DDH HXD 0.004156 0.4009 3.72671
295 1MXI SAH 0.00486 0.40525 3.75
296 5D63 FUC GAL GLA 0.00148 0.45226 3.75427
297 5D63 FUC GLA GLA 0.03856 0.40364 3.75427
298 3GJB AKG 0.001024 0.45914 3.76176
299 1DBT U5P 0.005572 0.40308 3.76569
300 3SK2 GRI 0.03048 0.41624 3.78788
301 2GQS ADP 0.001623 0.4581 3.79747
302 2DVZ GLU 0.001558 0.44593 3.82166
303 3D2Y AH0 ALA FGA LYS 0.002098 0.41856 3.83142
304 2YGN PCF 0.000348 0.41281 3.84615
305 2JGS BTN 0.02912 0.4026 3.84615
306 1AUX AGS 0.0004967 0.47792 3.85852
307 4JK3 NAD 0.0007184 0.4035 3.861
308 1V1A ADP 0.0008128 0.40192 3.8835
309 3W8S GSH 0.03595 0.40056 3.8835
310 4MMP SLB 0.02178 0.40729 3.8961
311 1F5F DHT 0.0001785 0.46253 3.90244
312 2YDW WSH 0.001932 0.44202 3.92157
313 3WG3 A2G GAL NAG FUC 0.001359 0.48175 3.93258
314 2DTJ THR 0.0004867 0.46701 3.93258
315 3E5H GNP 0.0004821 0.42195 3.93258
316 3AB4 THR 0.0301 0.40721 3.93258
317 3F8C HT1 0.02543 0.40754 3.96825
318 2ZE3 AKG 0.00441 0.44254 4
319 4BCS BTN 0.01946 0.40635 4
320 2HZQ STR 0.01773 0.4299 4.02299
321 1GU3 BGC BGC BGC BGC BGC 0.0009641 0.46628 4.02685
322 3HZL 6PC 0.001044 0.50305 4.03727
323 3ZPG 5GP 0.00561 0.46441 4.03727
324 4KCF AKM 0.0002348 0.43594 4.03727
325 4L7I SAM 0.001022 0.43419 4.03727
326 4KCF FMN 0.001722 0.42994 4.03727
327 4DYO SD4 0.005472 0.42783 4.03727
328 1X8X TYR 0.004495 0.42671 4.03727
329 3BK2 U5P 0.005022 0.42025 4.03727
330 2ZL7 FUC GAL NGA 0.01052 0.44321 4.0678
331 2HFK E4H 0.000613 0.475 4.07523
332 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.005972 0.40918 4.08163
333 4EXO PYR 0.008354 0.44796 4.10959
334 2PYU IMP 0.005989 0.43644 4.10959
335 1V2X SAM 0.001111 0.42462 4.12371
336 4B16 NAG 0.01206 0.45456 4.13534
337 4N14 WR7 0.02866 0.42827 4.14013
338 4K7O EKZ 0.003186 0.46191 4.16667
339 1I7L ATP 0.001473 0.43712 4.20712
340 1JN2 SFP 0.01628 0.46347 4.21941
341 3RK0 AMP 0.001117 0.44673 4.21941
342 2I7C AAT 0.0002173 0.40635 4.24028
343 2ZSC BTN 0.001881 0.43288 4.25532
344 1B74 DGN 0.005969 0.4554 4.33071
345 1Z44 NPO 0.002945 0.49881 4.34783
346 1Z42 HBA 0.009576 0.47533 4.34783
347 2FGQ MLT 0.001389 0.47224 4.34783
348 1U6R IOM 0.005889 0.46434 4.34783
349 1DXY COI 0.00744 0.45791 4.34783
350 4O8A 2OP 0.008395 0.45513 4.34783
351 1Z4V DAN 0.0007893 0.45285 4.34783
352 1Z42 FMN 0.002554 0.43217 4.34783
353 3ETH ATP 0.002781 0.43193 4.34783
354 1G8S MET 0.01007 0.4315 4.34783
355 2ZJF BSU 0.004797 0.42553 4.34783
356 3L6R MLI 0.01779 0.4252 4.34783
357 1Z48 FMN 0.002756 0.42209 4.34783
358 1L1Q 9DA 0.001442 0.4206 4.34783
359 1Z41 FMN 0.003963 0.41603 4.34783
360 4U9W COA 0.003176 0.41576 4.34783
361 3ZRR PXG 0.002059 0.41509 4.34783
362 4N02 FNR 0.0004683 0.41315 4.34783
363 2HGS GSH 0.005995 0.41301 4.34783
364 1K6M AGS 0.001704 0.41083 4.34783
365 2Q28 ADP 0.002736 0.4107 4.34783
366 3VCA PRO 0.01979 0.41024 4.34783
367 3AYS CT3 0.01385 0.40624 4.34783
368 1DXY NAD 0.001015 0.40506 4.34783
369 4U9W SER GLY ARG GLY LYS NH2 0.03454 0.40361 4.34783
370 2HGS ADP 0.01083 0.40296 4.34783
371 2PT9 S4M 0.0002969 0.42509 4.36137
372 2PFC PLM 0.0006828 0.4554 4.37158
373 3R51 MMA 0.006723 0.46025 4.375
374 2ZO9 MLI 0.01683 0.40075 4.37956
375 5H9P TD2 0.04785 0.42839 4.43038
376 2VKL MLT 0.01918 0.44337 4.44444
377 1VR0 3SL 0.0005663 0.47019 4.45344
378 2VAR AMP 0.001667 0.4447 4.47284
379 2VAR ANP 0.0003552 0.43798 4.47284
380 2VAR KDF 0.006886 0.41467 4.47284
381 2VAR KDG 0.009985 0.40811 4.47284
382 4DN8 BMA 0.04047 0.40263 4.48718
383 1SNY NAP 0.001174 0.40311 4.49438
384 1HFA PIO 0.003041 0.48847 4.49827
385 3QP6 HL6 0.001141 0.44146 4.5283
386 1P0Z FLC 0.01334 0.43416 4.58015
387 2Y7P SAL 0.0009257 0.46707 4.58716
388 1SN0 T44 0.01363 0.42103 4.61538
389 1GJW GLC 0.0003589 0.50835 4.65839
390 4WBD CIT 0.002991 0.47067 4.65839
391 2Z9V PXM 0.002212 0.4503 4.65839
392 1GJW MAL 0.001937 0.44198 4.65839
393 4LO6 SIA GAL 0.01045 0.43972 4.65839
394 2VHJ ADP 0.000966 0.42678 4.65839
395 4WBD ADP 0.01831 0.42458 4.65839
396 4OYA 1VE 0.002264 0.41695 4.65839
397 4A6D SAM 0.002602 0.41148 4.65839
398 2YRX AMP 0.03672 0.40989 4.65839
399 1V7W NAG 0.01302 0.40341 4.65839
400 1V7W NDG 0.01302 0.40341 4.65839
401 3IB8 AMP 0.01091 0.40272 4.65839
402 1Y8O ADP 0.0001337 0.49041 4.6875
403 1BKC INN 0.03021 0.40359 4.6875
404 2ORV 4TA 0.00125 0.40858 4.70085
405 3VTF UPG 0.001469 0.42031 4.72973
406 4CS9 AMP 0.02709 0.41901 4.7619
407 1ZUW DGL 0.001552 0.45138 4.77941
408 2FR6 CTN 0.0001213 0.46369 4.79452
409 2FR6 URI 0.0003576 0.44658 4.79452
410 1RNT 2GP 0.0158 0.40434 4.80769
411 4WNB 4BN 0.004639 0.4096 4.81283
412 4F8L GAL 0.01957 0.45116 4.82759
413 3U1T MLI 0.01978 0.42293 4.85437
414 1SJW NGV 0.002221 0.4257 4.86111
415 1CBF SAH 0.000157 0.46987 4.91228
416 2P41 G1G 0.01621 0.40748 4.91803
417 3T2W BTN 0.04109 0.40017 4.91803
418 3IPQ 965 0.0003107 0.41109 4.947
419 1KC7 PPR 0.001861 0.47336 4.96894
420 3PLN U5P 0.002134 0.451 4.96894
421 1E5F PLP 0.0005137 0.45011 4.96894
422 2ZYF AKG 0.006619 0.42428 4.96894
423 4QCK ASD 0.01154 0.42087 4.96894
424 3NFZ 3NF 0.005264 0.41942 4.96894
425 8CAT NDP 0.002571 0.40815 4.96894
426 2VQ5 LDP 0.01932 0.43589 4.97512
427 2QJN KDG 0.00393 0.42026 4.97512
428 3I6B KDO 0.005787 0.43177 5
429 1KYV RBF 0.00352 0.41409 5.03145
430 3KMT SAH 0.0003301 0.46269 5.04202
431 1A5V Y3 0.006856 0.43375 5.06329
432 3QRC SCR 0.009377 0.4128 5.09554
433 1XNK XS2 0.008714 0.40286 5.10204
434 1J5P NAD 0.00008524 0.4345 5.13834
435 2QDT I38 0.0001457 0.47112 5.20446
436 5RHN 8BR 0.000361 0.45599 5.21739
437 4JNJ BTN 0.02381 0.40538 5.21739
438 3OYW TDG 0.002313 0.47516 5.22388
439 1VF1 GSH 0.006121 0.40159 5.24017
440 1LYX PGA 0.004963 0.41625 5.24194
441 3DX5 DHB 0.001366 0.44831 5.24476
442 3KMZ EQO 0.0002716 0.42274 5.26316
443 1NP0 NGT 0.01771 0.41982 5.26316
444 3SQG COM 0.001896 0.49896 5.2795
445 4CIB 7UZ 0.0003299 0.49405 5.2795
446 2VQD AP2 0.0004747 0.46995 5.2795
447 4NAO AKG 0.003211 0.46175 5.2795
448 4C6F DOR 0.002332 0.43861 5.2795
449 4C6F NCD 0.002332 0.43861 5.2795
450 3LIH RAF 0.001728 0.42164 5.2795
451 1OYB FMN 0.001262 0.41178 5.2795
452 1UF5 CDT 0.01875 0.41785 5.28053
453 1W2D ADP 0.0002199 0.51674 5.28302
454 1W2D 4IP 0.006177 0.40511 5.28302
455 1IM8 SAI 0.0005338 0.43184 5.32787
456 3O7B SAH 0.001313 0.42598 5.32787
457 2CW6 3HG 0.02409 0.43077 5.36913
458 2OYS FMN 0.004182 0.40081 5.3719
459 3H22 B53 0.0007132 0.46008 5.38721
460 2XI7 XI7 0.002346 0.50452 5.43478
461 5FIT AP2 0.001051 0.44781 5.44218
462 2RHQ GAX 0.0003247 0.43522 5.44218
463 2YBQ UP2 0.0002206 0.40599 5.47945
464 3E81 SLB 0.001199 0.46843 5.4878
465 2YLD CMO 0.01152 0.42872 5.51181
466 3MAG 3MA 0.004205 0.47987 5.53746
467 4QVH FLC 0.006359 0.48314 5.59006
468 3MTW M3R 0.0001611 0.46944 5.59006
469 4WVH ASP HIS ASP ALA HIS ALA 0.0009418 0.4607 5.59006
470 3SHR CMP 0.001518 0.4464 5.59006
471 1JL0 PUT 0.007848 0.43558 5.59006
472 2C5S AMP 0.004892 0.42993 5.59006
473 1PL6 NAD 0.0008521 0.42103 5.59006
474 2HXT EHM 0.003843 0.42064 5.59006
475 1R89 CTP 0.004688 0.41323 5.59006
476 2FFC U5P 0.003691 0.40961 5.59006
477 1T10 F6P 0.02581 0.40724 5.59006
478 2HJ3 FAD 0.003612 0.40302 5.6
479 4K30 NLG 0.001112 0.46354 5.625
480 3SAO DBH 0.007077 0.45304 5.625
481 3SAO NKN 0.00945 0.43316