Receptor
PDB id Resolution Class Description Source Keywords
3WE4 2 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF S6K1 KINASE DOMAIN IN COMPLEX WITH A PY DERIVATIVE PF-4708671 2-{[4-(5-ETHYLPYRIMIDIN-4-YL)PIPERAZIY L]METHYL}-5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOLE HOMO SAPIENS SERINE/THREONINE PROTEIN KINASE DOMAIN TRANSFERASE PHOSPHOATP-BINDING ZINC-BINDING TRANSFERASE-TRANSFERASE INHIBITO
Ref.: CRYSTAL STRUCTURES OF THE S6K1 KINASE DOMAIN IN COM WITH INHIBITORS J.STRUCT.FUNCT.GENOM. V. 15 153 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
5FI A:402;
Valid;
none;
ic50 = 15 nM
390.405 C19 H21 F3 N6 CCc1c...
ZN A:401;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L3L 2.1 Å EC: 2.7.11.1 CRYSTAL STRUCTURES OF HUMAN P70S6K1 KINASE DOMAIN (ZINC ANOM HOMO SAPIENS PROTEIN KINASE TRANSFERASE
Ref.: CRYSTAL STRUCTURES OF S6K1 PROVIDE INSIGHTS INTO TH REGULATION MECHANISM OF S6K1 BY THE HYDROPHOBIC MOT BIOCHEM.J. V. 454 39 2013
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
2 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
3 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
4 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
5 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
6 3WF5 ic50 = 81 nM FZ8 C17 H17 N7 c1ccc2c(c1....
7 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
8 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
9 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 2Z7S - P01 C19 H25 Cl N6 O CC(C)[C@H]....
2 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
3 2Z7R ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
4 3UBD Kd = 2.9 uM SL0 C25 H24 O12 CC1C(C(C(C....
5 4GUE Kd = 5.8 uM QCT C21 H20 O11 C[C@H]1[C@....
6 3G51 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
8 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
9 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
10 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
11 5D9L ic50 = 0.024 uM 583 C15 H12 N2 O2 c1cc(ccc1c....
12 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
13 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
14 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
15 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
16 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
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: 5FI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 5FI 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4L3L; Ligand: 5FI; Similar sites found: 391
This union binding pocket(no: 1) in the query (biounit: 4l3l.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VSL MAA LYS PRO PHE 0.01138 0.4273 None
2 3CM2 X23 0.02032 0.42143 None
3 5C2N NAG 0.0268 0.41257 None
4 3X01 AMP 0.0004997 0.50586 1.31579
5 2AQX ATP 0.006441 0.40959 1.38408
6 1HQL GLA MBG 0.01176 0.43009 1.55642
7 2PUL ACP 0.000001734 0.59073 1.64474
8 3TII ANP 0.000888 0.47877 1.64474
9 4UWH JXM 0.001017 0.46558 1.64474
10 4CC6 L5Y 0.01352 0.42344 1.64474
11 1OHE ACE ALA SEP PRO 0.0214 0.4173 1.64474
12 5EXK 5AD 0.01024 0.43434 1.81269
13 1VDN ACE ALA ALA PRO ALA MCM 0.03433 0.40854 1.85185
14 1W2D ADP 0.0003312 0.50029 1.88679
15 1W2D 4IP 0.004309 0.40517 1.88679
16 5F6U 5VK 0.002727 0.45264 1.91083
17 2VQD AP2 0.0001803 0.48126 1.93966
18 2IF8 ADP 0.0001121 0.538 1.97368
19 4MOB ADP 0.01169 0.43318 1.97368
20 3DNT ATP 0.003988 0.41232 1.97368
21 1Y42 TYR 0.02942 0.40991 1.97368
22 5JJU AMP 0.02263 0.40421 1.97368
23 2RDE C2E 0.0002754 0.49839 1.99203
24 4GQP B40 0.0208 0.41172 2.00803
25 4ZGP ADP 0.008678 0.41713 2.04778
26 2JE7 XMM 0.01608 0.42392 2.09205
27 3KYG 5GP 5GP 0.001013 0.45227 2.20264
28 1EHI ADP 0.0009795 0.45292 2.30263
29 5TDF ADP 0.003786 0.42296 2.30263
30 5H9Y BGC BGC BGC BGC BGC 0.02006 0.4188 2.30263
31 3W0O HY0 0.002026 0.4098 2.30263
32 3W0O ADP 0.002026 0.4098 2.30263
33 2ZTG A5A 0.0141 0.40386 2.30263
34 4FE2 AIR 0.001152 0.4731 2.35294
35 4FE2 ADP 0.0105 0.4207 2.35294
36 3ACL 3F1 0.0124 0.40982 2.36486
37 3QXV MTX 0.01059 0.40962 2.38095
38 3RGA LSB 0.00807 0.41862 2.4735
39 2FMD MAN MAN 0.01007 0.43181 2.5
40 2QX0 PH2 0.003668 0.46034 2.51572
41 2QHS OCA 0.007569 0.43196 2.53165
42 4XBT 3ZQ 0.008207 0.41472 2.58065
43 4XBT FLC 0.01134 0.40824 2.58065
44 4JNJ BTN 0.01763 0.406 2.6087
45 2WZ5 MET 0.000246 0.54563 2.61438
46 3I0O ADP 0.000001077 0.62525 2.63158
47 5IQD RIO 0.00001291 0.50511 2.63158
48 5IQD GNP 0.00001179 0.50511 2.63158
49 1GSA ADP 0.00004619 0.49751 2.63158
50 1I7L ATP 0.00006455 0.48685 2.63158
51 3ORQ ADP 0.0002927 0.47199 2.63158
52 4PZ6 GMP 0.00427 0.45081 2.63158
53 4NZF ARB 0.03743 0.40429 2.63158
54 4WCX MET 0.04158 0.40076 2.63158
55 5DYO FLU 0.004946 0.45436 2.83019
56 2QHV OC9 0.005174 0.445 2.85714
57 4ZS4 ATP 0.000129 0.49252 2.96053
58 5DZT AMP 0.00252 0.46715 2.96053
59 2CFM AMP 0.003337 0.44986 2.96053
60 3LXI CAM 0.03319 0.40793 2.96053
61 2QS8 MET 0.02741 0.40748 2.96053
62 1T36 ADP 0.004555 0.4015 2.96053
63 4NS0 PIO 0.005903 0.44796 3.00752
64 3K56 IS3 0.003475 0.43996 3.00752
65 3KYF 5GP 5GP 0.000231 0.50815 3.0303
66 5LN8 GAL 0.01159 0.41913 3.05344
67 3BP1 GUN 0.008257 0.43951 3.10345
68 1CBK ROI 0.009909 0.43673 3.125
69 4ZTD ALA GLY ALA GLY ALA 0.01878 0.42233 3.16206
70 3VPD ANP 0.0003236 0.46578 3.20285
71 2YKL NLD 0.01352 0.41529 3.24074
72 3PDT ADP 0.0002771 0.49266 3.27273
73 5KJW 53C 0.0001534 0.5369 3.28947
74 3K5I ADP 0.00122 0.44466 3.28947
75 2FB3 MET 0.006494 0.43099 3.28947
76 2FB3 5AD 0.007112 0.42501 3.28947
77 4PU5 ANP 0.003955 0.41556 3.28947
78 4D52 GIV 0.02498 0.41204 3.28947
79 1A5Z FBP 0.0228 0.41181 3.28947
80 4D52 GXL 0.04768 0.40177 3.28947
81 4KFU ACP 0.03176 0.41274 3.30189
82 5CLO NS8 0.03464 0.40158 3.38983
83 4GGZ BTN 0.01737 0.40991 3.47826
84 1ZTH ADP 0.000001189 0.62309 3.48837
85 1ZP9 ATP 0.000001756 0.59806 3.48837
86 5HV7 RBL 0.00001127 0.58849 3.61842
87 1AUX AGS 0.00001718 0.5378 3.61842
88 5VZ0 ADP 0.0001093 0.50633 3.61842
89 1PK8 ATP 0.00006638 0.48204 3.61842
90 3NKS ACJ 0.001082 0.45962 3.61842
91 2IVD ACJ 0.002597 0.45055 3.61842
92 5NCY 8TK 0.0008901 0.4234 3.61842
93 1RYD GLC 0.03002 0.41214 3.61842
94 4PYW ACE THR THR ALA ILE NH2 0.006045 0.41079 3.61842
95 3TY5 ATP 0.02273 0.4078 3.61842
96 4QAC KK3 0.004945 0.40277 3.68664
97 4M7T SAM 0.01589 0.40147 3.7037
98 1FWV SGA MAG FUC 0.02448 0.41224 3.73134
99 3SAO DBH 0.003593 0.45732 3.75
100 3NOJ PYR 0.0218 0.41485 3.78151
101 4XMF HSM 0.0008595 0.48005 3.80435
102 3ZJX BOG 0.00359 0.4608 3.80623
103 4M6T SAM 0.01468 0.43802 3.82514
104 4RKX 3S9 0.03702 0.40455 3.83142
105 1S17 GNR 0.01315 0.40208 3.88889
106 4Y24 TD2 0.005714 0.43811 3.8961
107 2YRX AMP 0.0002791 0.52004 3.94737
108 5C1P ADP 0.0001283 0.51466 3.94737
109 1OFL NGK GCD 0.005596 0.43878 3.94737
110 5C1P DAL DAL 0.002159 0.42027 3.94737
111 5JBE MAL 0.01287 0.41826 3.94737
112 1G51 AMP 0.02741 0.41585 3.94737
113 2I4O ATP 0.01664 0.41467 3.94737
114 2Q7D ANP 0.003007 0.41145 3.94737
115 5DEQ ARA 0.0329 0.40334 3.94737
116 2FT0 ACO 0.01253 0.40961 4.25532
117 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.005865 0.40251 4.25532
118 4R78 AMP 0.0001108 0.53099 4.27632
119 4OCV ANP 0.0001882 0.48514 4.27632
120 4GC1 MAN MAN 0.01027 0.40104 4.34783
121 1UI0 URA 0.04082 0.41007 4.39024
122 2ZL7 FUC GAL NGA 0.03357 0.40906 4.40678
123 3UBQ SIA GAL 0.01569 0.40844 4.51977
124 3CBC DBS 0.00329 0.46396 4.54545
125 2YW2 ATP 0.00004941 0.50604 4.60526
126 1E4E ADP 0.0009766 0.45298 4.60526
127 3ETH ATP 0.0006608 0.45237 4.60526
128 3V4S ATP 0.0008017 0.44875 4.60526
129 1SN0 T44 0.002715 0.44961 4.61538
130 4XYM A12 0.0009177 0.45419 4.78261
131 1NXJ TLA 0.04613 0.40207 4.91803
132 2PYW ADP 0.000001732 0.57016 4.93421
133 1OBD ATP 0.001578 0.46118 4.93421
134 3PN1 IVH 0.00664 0.44431 4.93421
135 4GLW 0XT 0.006313 0.44054 4.93421
136 2Z49 AMG 0.01238 0.43968 4.93421
137 4WOE ADP 0.01092 0.43497 4.93421
138 3HQP OXL 0.0116 0.42383 4.93421
139 1HXD BTN 0.007115 0.41085 4.93421
140 2Z48 A2G 0.04088 0.40103 4.93421
141 2CJU PHX 0.01851 0.42369 4.95868
142 2ZSC BTN 0.01255 0.41313 4.96454
143 3HAV ATP 0.00004666 0.56125 5.01672
144 3WG3 A2G GAL NAG FUC 0.01246 0.42528 5.05618
145 4RYV ZEA 0.002565 0.45562 5.16129
146 4O4F ATP 0.0008604 0.4366 5.24194
147 4O4F IHP 0.001037 0.43001 5.24194
148 4U98 ACP 0.00004689 0.52356 5.26316
149 3UDZ ADP 0.0000423 0.51429 5.26316
150 4AXD ANP 0.0003295 0.409 5.26316
151 3C3D FO1 0.02884 0.40865 5.26316
152 5FCF GLY GLY GLY 0.02843 0.40292 5.26316
153 5L83 ASP TRP GLU ILE VAL 0.02325 0.40364 5.35714
154 5K2M ADP 0.0002662 0.46126 5.49451
155 5MRH Q9Z 0.0003098 0.508 5.59211
156 4ME6 ADP 0.001542 0.47844 5.59211
157 1KDK DHT 0.005467 0.40958 5.64972
158 3VPC ADP 0.00003589 0.50704 5.67376
159 3VPB ADP 0.0000859 0.47747 5.67376
160 5J75 6GQ 0.01692 0.40686 5.68182
161 3NZ1 3NY 0.01165 0.42235 5.74713
162 1TZD ADP 0.0003447 0.51065 5.81818
163 3WVR AMP 0.0002074 0.4987 5.92105
164 5VLQ ANP 0.002013 0.44773 5.92105
165 2IO8 ADP 0.002422 0.42135 5.92105
166 3EFS BTN 0.01069 0.40616 6.00858
167 1TOQ AMG 0.02805 0.40852 6.01504
168 1S68 AMP 0.01442 0.42644 6.0241
169 1UYY BGC BGC 0.002101 0.47075 6.10687
170 5W10 CMP 0.01392 0.40097 6.15385
171 4GYI ADP 0.00001938 0.55493 6.25
172 5GZ9 ANP 0.000002548 0.55084 6.25
173 4RT1 C2E 0.0001003 0.50807 6.25
174 4DFU QUE 0.00691 0.4434 6.25
175 2JIG PD2 0.009412 0.43158 6.25
176 5C4L 4XR 0.0004589 0.42964 6.25
177 5C4L SIS 0.002864 0.4003 6.25
178 5CIC 51R 0.005852 0.45172 6.48148
179 3VOT ADP 0.00005204 0.54066 6.57895
180 2QK4 ATP 0.0001656 0.522 6.57895
181 3UW5 MAA CHG PRO 0DQ 0.006856 0.44591 6.89655
182 3TDV GDP 0.0001002 0.50265 6.90789
183 4ANW O92 0.0001151 0.4472 6.90789
184 5GWE GWM 0.02889 0.40629 6.90789
185 5HV0 AKG 0.007813 0.42305 6.91244
186 4XTX 590 0.00139 0.41889 7.03704
187 1Y7P RIP 0.01519 0.42895 7.17489
188 2VPQ ANP 0.0002266 0.46823 7.23684
189 4RDL FUC GAL NDG FUC 0.007487 0.44454 7.23684
190 3NEM ATP 0.01149 0.4228 7.23684
191 1ULE GLA GAL NAG 0.01643 0.41178 7.33333
192 1VKF CIT 0.02277 0.40696 7.44681
193 1I7M CG 0.01118 0.42772 7.46269
194 5MW8 ATP 0.00002634 0.50784 7.56579
195 2G30 ALA ALA PHE 0.0004499 0.46957 7.56579
196 5FUI APY 0.0007501 0.45869 7.57576
197 5M6N 7H9 0.04252 0.40378 7.62712
198 1TQP ATP 0.00002258 0.50583 7.80142
199 4MTI 2DX 0.03587 0.40647 7.82609
200 4OAV ACP 0.000002876 0.58043 7.89474
201 4CYI ATP 0.00002161 0.52186 7.89474
202 2HGS ADP 0.003793 0.41633 7.89474
203 5TVF CGQ 0.02053 0.40632 7.89474
204 3AB4 THR 0.03075 0.40487 7.89474
205 3ZW2 NAG GAL FUC 0.01001 0.42583 8.04598
206 2XG5 EC5 0.003136 0.468 8.09249
207 2XG5 EC2 0.003136 0.468 8.09249
208 3R51 MMA 0.0151 0.42224 8.125
209 5DXT 5H5 0.005559 0.41897 8.22368
210 4IX4 ADP 0.000003282 0.55793 8.55263
211 3UW4 MAA CHG PRO 0DQ 0.02182 0.41845 8.69565
212 5L8N 6RQ 0.01427 0.43021 9.375
213 2BKK ADP 0.0004293 0.48892 9.4697
214 4DSU BZI 0.001443 0.48579 9.52381
215 4WOP CTP 0.007449 0.40997 9.77778
216 4O1P ANP 0.000002183 0.57894 9.86842
217 3PGU OLA 0.008968 0.42824 10.1974
218 4Q5H ANP 0.00002235 0.53256 10.5263
219 5XLY C2E 0.0006231 0.46619 10.5263
220 1IA9 ANP 0.00001741 0.53163 11.0714
221 1GPM AMP 0.02775 0.41485 11.1842
222 4K55 H6P 0.0313 0.41348 11.2903
223 1LES GLC FRU 0.01044 0.42576 11.5385
224 4WN5 MVC 0.005728 0.40872 12.1739
225 4WW7 AMP 0.0000009406 0.57538 12.2995
226 5CKW ANP 0.000005588 0.58934 12.5
227 4AZT LY2 0.0001025 0.52588 12.5
228 4AZW ATP 0.00005829 0.50287 12.5
229 3LQV ADE 0.01315 0.4226 13.0435
230 5W2I ADP 0.001088 0.43582 14.3969
231 5W2I I3P 0.001088 0.43582 14.3969
232 2CSN CKI 0.0000001115 0.58919 15.1515
233 5LXT ACP 0.00114 0.43849 16.0839
234 1V3S ATP 0.008259 0.40799 16.3793
235 2GQR ADP 0.008988 0.41641 16.8776
236 2GQS C2R 0.0008557 0.46917 18.5654
237 2GQS ADP 0.01064 0.41296 18.5654
238 4KBA 1QM 0.00000932 0.5075 18.75
239 4KU7 PCG 0.02307 0.4038 18.9542
240 5I35 ANP 0.00001173 0.5518 19.4079
241 4B1L FRU 0.01504 0.42635 20
242 3H0L ADP 0.009059 0.43244 20.0658
243 5MY8 RXZ 0.00000007734 0.60184 22.0395
244 3IWD M2T 0.008757 0.43794 22.0588
245 3VHE 42Q 0.000001049 0.5349 22.6974
246 4WOV 3SM 0.00006842 0.52805 22.6974
247 5C03 AGS 0.00003983 0.52104 22.6974
248 5VC5 96M 0.0000003845 0.56205 22.8374
249 5KO1 6UY 0.0000001094 0.64701 23.6749
250 4YZC STU 0.00000007727 0.53197 29.2763
251 3LXN MI1 0.00000001899 0.65654 30.2632
252 3UIM ANP 0.000001574 0.58546 30.2632
253 4BTK DTQ 0.0000005263 0.6073 30.5921
254 5LPZ ADP 0.0000005951 0.60485 30.9211
255 2QLU ADE 0.000003246 0.62391 31.25
256 5HES 032 0.00000963 0.46219 31.25
257 5HX8 66P 0.000000006386 0.639 31.457
258 4GJ3 0XP 0.00000004519 0.57771 31.457
259 5LPB ADP 0.000001464 0.61855 31.7568
260 5JGA 6KC 0.000007295 0.48971 32.2368
261 4P5Z Q7M 0.000001914 0.4808 32.5658
262 4E1Z 0MX 0.00000003741 0.62854 32.646
263 5NKB 8ZT 0.00000002208 0.52281 32.8947
264 3PLS ANP 0.0000003843 0.62142 33.2215
265 5T8O 76Z 0.000003104 0.559 33.2237
266 4E93 GUI 0.00000308 0.50401 33.5526
267 5USZ SKE 0.000009487 0.5072 33.564
268 4CRL C1I 0.000002981 0.4972 33.8816
269 4Y85 499 0.0004836 0.47603 33.8816
270 3KRR DQX 0.0000001527 0.42226 33.8983
271 5AWM ANP 0.000001697 0.61533 34.2105
272 3C1X CKK 0.00004577 0.50248 34.2105
273 4CLI 5P8 0.000001111 0.46625 34.2105
274 3PTG 932 0.00000002762 0.71647 34.5395
275 5X8I SQZ 0.000000004236 0.70345 34.5395
276 2PVF ACP 0.00000001812 0.68364 34.5395
277 1U5R ATP 0.0000001687 0.63819 34.5395
278 3RI1 3RH 0.00000005992 0.6 34.5395
279 5EOB 5QQ 0.000002561 0.55192 34.5395
280 3TTI KBI 0.00000764 0.5109 34.5395
281 4WHZ 3NL 0.00003635 0.41125 34.5395
282 4XH0 ADP 0.0000002092 0.68936 34.8684
283 4K33 ACP 0.0000007327 0.5935 34.8684
284 5BYZ 4WE 0.000003517 0.5084 34.8684
285 4BKJ STI 0.0002971 0.45546 34.8684
286 5TO8 7FM 0.0000003108 0.50117 35.1064
287 3KRL KRL 0.0000002816 0.59801 35.1974
288 5LXC 7AA 0.000000004294 0.52561 35.1974
289 2XVD AS6 0.000002049 0.52855 35.4305
290 2WU6 DKI 0.00000003902 0.62776 35.5263
291 2X2M X2M 0.0000003551 0.59366 35.5263
292 5U6C 7YS 0.0000008099 0.57819 35.5263
293 3GQI ACP 0.000001191 0.59102 35.8553
294 3LXK MI1 0.0000006878 0.5521 36.0856
295 3KMW ATP 0.0001753 0.49669 36.1624
296 4Y93 746 0.00002498 0.49937 36.1842
297 5JFS 6K0 0.000004175 0.45902 36.1842
298 3NW7 LGV 0.0001237 0.40153 36.1842
299 5EFQ ADP 0.0000001302 0.63515 36.5132
300 4LOO SB4 0.00003313 0.52471 36.5132
301 2A19 ANP 0.0000002094 0.66097 36.6197
302 4EWH T77 0.000002924 0.52734 36.7273
303 2Y6O 1N1 0.00000066 0.58203 36.7698
304 1K3A ACP 0.0000007543 0.62408 36.7893
305 4NST ADP 0.0000002595 0.6214 36.8421
306 3GC8 B45 0.000008371 0.53436 36.8421
307 5CEO 50D 0.00001379 0.54219 37.3333
308 4U0I 0LI 0.00001484 0.48392 37.8289
309 5FBN 5WF 0.00009445 0.44126 38.0074
310 4YMJ 4EJ 0.000000008697 0.76488 38.1579
311 1JPA ANP 0.000000602 0.66974 38.1579
312 3EKK GS2 0.0000002523 0.51564 38.1579
313 3ALN ANP 0.00002979 0.51572 38.4868
314 4AG8 AXI 0.0000003948 0.51259 38.4868
315 4ASE AV9 0.00001189 0.50333 38.4868
316 3PP0 03Q 0.0000256 0.49449 38.4868
317 1U59 STU 0.000000003881 0.70519 38.676
318 5HCY 60D 0.00000201 0.46023 38.8158
319 1O9U ADZ 0.0000002335 0.69223 39.1447
320 3F7Z 34O 0.00000007335 0.64659 39.1447
321 3ZRM ZRM 0.00000009125 0.64224 39.1447
322 1Y57 MPZ 0.0000000796 0.61464 39.1447
323 2H8H H8H 0.000002508 0.57617 39.1447
324 4FL3 ANP 0.000005179 0.54337 39.1447
325 3VRY B43 0.00002225 0.50143 39.1447
326 1OPK P16 0.00002054 0.47894 39.1447
327 2OO8 RAJ 0.0004056 0.46154 39.1447
328 4FF8 14S 0.003295 0.45014 39.1447
329 4IDT T28 0.000001176 0.59864 39.4737
330 5UR1 YY9 0.0000006336 0.47578 39.4737
331 5HQ0 LZ9 0.0000001269 0.62018 39.7351
332 5JKG 6LF 0.000009271 0.45711 39.8026
333 3BU5 ATP 0.00000006204 0.64993 40
334 4NM5 ADP 0.0000000174 0.64263 40.1316
335 2JLD AG1 0.000000008176 0.58857 40.1316
336 4QMN DB8 0.000000007387 0.57365 40.1316
337 4AT3 LTI 0.00002961 0.47967 40.1338
338 4YLL 4E3 0.00000006958 0.61712 40.4605
339 5MJA 7O3 0.0000008277 0.61372 40.4605
340 3H9R TAK 0.000001389 0.62889 40.7895
341 3E7O 35F 0.00000481 0.49459 40.7895
342 1ZY5 ANP 0.000000003997 0.71443 41.2541
343 3SRV S19 0.00000002776 0.67495 41.5162
344 5H2U 1N1 0.00001157 0.54568 41.573
345 1VJY 460 0.000002984 0.50432 41.5842
346 1BYG STU 0.00000001302 0.70019 41.7266
347 5DA3 58V 0.0000001478 0.66858 41.8868
348 4BHN BH9 0.0000003623 0.60011 42.1053
349 4F4P 0SB 0.000004128 0.4047 42.1245
350 2F57 23D 0.0000003499 0.63165 42.4342
351 4I6H 1C8 0.000002658 0.57501 42.4342
352 4XLI 1N1 0.000000242 0.63084 42.5373
353 2OFV 242 0.0000008685 0.50304 42.5993
354 3GNI ATP 0.00001212 0.53293 42.7632
355 4CSV STI 0.00002913 0.50599 42.9091
356 5N87 N66 0.000000009655 0.56922 43.0921
357 5TA6 79D 0.000001689 0.53673 43.0921
358 3BZ3 YAM 0.000001918 0.41749 43.1159
359 1UNH IXM 0.000000403 0.63744 43.1507
360 3O0G 3O0 0.00000003745 0.51211 43.1507
361 2HK5 1BM 0.0000005032 0.59382 43.3333
362 3HMO STU 0.00000002988 0.67345 43.4211
363 2ZV2 609 0.00000008677 0.68019 43.6242
364 3SXS PP2 0.000004391 0.55236 43.6567
365 4TWP AXI 0.000003562 0.44334 43.9114
366 3SXF BK5 0.000005967 0.48014 44.0789
367 3G5D 1N1 0.00000003887 0.45888 44.4056
368 5EKO N17 0.00008878 0.48548 44.4079
369 3HZT J60 0.000000405 0.64658 45.0658
370 4UX9 ANP 0.0000003921 0.59859 45.0658
371 2WEL K88 0.0000006265 0.66229 45.3947
372 4IZY 1J2 0.00000005112 0.63758 45.3947
373 4QTB 38Z 0.0000002512 0.56384 45.3947
374 1CM8 ANP 0.000006106 0.56509 46.0526
375 4D2S DYK 0.0000001021 0.66668 46.4789
376 2B9J ADP 0.00000009445 0.65001 47.0395
377 2B9I ADP 0.00000006989 0.64756 47.0395
378 2B9H ADP 0.00000007597 0.63776 47.0395
379 2B9F ADP 0.0000001601 0.63103 47.0395
380 4CFU 2WC 0.00000003718 0.67834 47.1947
381 2BPM 529 0.00000001259 0.49735 47.3684
382 4BCQ TJF 0.00000009148 0.67904 47.5083
383 4BCM T7Z 0.0000001145 0.44701 47.5083
384 5UOX 8GY 0.0000005114 0.58681 47.6015
385 4BCN T9N 0.00000005334 0.68052 47.6667
386 3SLS ANP 0.000004317 0.54679 47.6974
387 5LMK 6ZK 0.000001111 0.60759 48.1481
388 3E8N VRA 0.0000126 0.4304 48.3553
389 3E8N ATP 0.0000126 0.4304 48.3553
390 5BVE 4VG 0.00000000505 0.46135 48.6842
391 3IGO ANP 0.0000002939 0.59721 49.3421
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