Receptor
PDB id Resolution Class Description Source Keywords
5CI7 1.74 Å EC: 2.7.11.1 STRUCTURE OF ULK1 BOUND TO A SELECTIVE INHIBITOR HOMO SAPIENS INHIBITOR KINASE AUTOPHAGY TRANSFERASE-TRANSFERASE INHIBICOMPLEX
Ref.: DISCOVERY AND STRUCTURE OF A NEW INHIBITOR SCAFFOLD AUTOPHAGY INITIATING KINASE ULK1. BIOORG.MED.CHEM. V. 23 5483 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:403;
A:404;
A:402;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
51W A:401;
Valid;
none;
ic50 = 120 nM
481.334 C18 H24 I N7 O c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WNP 1.88 Å EC: 2.7.11.1 STRUCTURE OF ULK1 BOUND TO A POTENT INHIBITOR HOMO SAPIENS KINASE AUTOPHAGY INHIBITOR
Ref.: STRUCTURE OF THE HUMAN AUTOPHAGY INITIATING KINASE COMPLEX WITH POTENT INHIBITORS. ACS CHEM.BIOL. V. 10 257 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 4WNO ic50 = 160 nM 3RF C20 H19 N7 c1ccc2c(c1....
2 4WNP ic50 = 8 nM 3RJ C22 H20 N8 c1ccc2c(c1....
3 5CI7 ic50 = 120 nM 51W C18 H24 I N7 O c1cc(cc(c1....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 4WNO ic50 = 160 nM 3RF C20 H19 N7 c1ccc2c(c1....
2 4WNP ic50 = 8 nM 3RJ C22 H20 N8 c1ccc2c(c1....
3 5CI7 ic50 = 120 nM 51W C18 H24 I N7 O c1cc(cc(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: 51W; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 51W 1 1
2 BX7 0.712766 0.895522
3 LI8 0.57 0.810811
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WNP; Ligand: 3RJ; Similar sites found: 299
This union binding pocket(no: 1) in the query (biounit: 4wnp.bio3) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CS9 AMP 0.008458 0.40138 None
2 1IOW PHY 0.002105 0.46043 1.39373
3 1IOW ADP 0.002105 0.46043 1.39373
4 3K5I ADP 0.001987 0.44285 1.39373
5 3K5I AIR 0.007424 0.4307 1.39373
6 4PZ6 GMP 0.0009205 0.41076 1.39373
7 3PN1 IVH 0.002106 0.41721 1.74216
8 2IV2 MGD 0.03016 0.40565 1.74216
9 5MW8 ATP 0.00005453 0.52123 2.09059
10 2VPQ ANP 0.000277 0.48751 2.09059
11 2VQD AP2 0.0006386 0.42117 2.09059
12 1QKQ MAN 0.01441 0.41453 2.11268
13 4XYM A12 0.0005862 0.46577 2.43902
14 3DNT ATP 0.00131 0.45707 2.43902
15 5DZT AMP 0.000215 0.44672 2.43902
16 5DXT 5H5 0.008624 0.41081 2.43902
17 5GZ9 ANP 0.00000002566 0.68018 2.78746
18 5I35 ANP 0.000002365 0.57229 2.78746
19 4ANW O92 0.0001181 0.51966 2.78746
20 5C4L 4XR 0.0002259 0.5042 2.78746
21 2V58 LZJ 0.002075 0.47087 2.78746
22 5C4L SIS 0.003294 0.44686 2.78746
23 1T3Q FAD 0.01686 0.41951 2.78746
24 4ZGP ADP 0.006495 0.41258 2.78746
25 2ZYI STE 0.01475 0.40795 2.78746
26 5IXJ THR 0.04118 0.40061 2.78746
27 3KA2 2NC 0.02009 0.42515 2.95567
28 3FSM 2NC 0.01423 0.4201 2.95567
29 3OOI SAM 0.007769 0.4148 3.01724
30 4OCJ NDG 0.00002256 0.56311 3.13589
31 4O4F IHP 0.002296 0.44866 3.22581
32 4O4F ATP 0.002126 0.44866 3.22581
33 4OCV ANP 0.00003997 0.52059 3.48432
34 3KAL ADP 0.0008849 0.47782 3.48432
35 2Q7D ANP 0.001954 0.45205 3.48432
36 5TDF ADP 0.003854 0.42923 3.48432
37 1MXH DHF 0.0298 0.40784 3.62319
38 3UDZ ADP 0.00002795 0.5279 3.65112
39 2QK4 ATP 0.000181 0.46519 3.83275
40 2CFM AMP 0.001242 0.44621 3.83275
41 5TT5 NAD 0.004751 0.43179 3.83275
42 2YW2 ATP 0.001396 0.4062 3.83275
43 3T1A 5MA 0.01412 0.40068 3.83275
44 3P7G MAN 0.01418 0.40569 4.10959
45 5C1P ADP 0.0007182 0.45195 4.18118
46 5C1P DAL DAL 0.001952 0.45045 4.18118
47 1CKM GTP 0.003649 0.42913 4.18118
48 4FWE FAD 0.02008 0.42114 4.18118
49 5K2M ADP 0.0003044 0.48751 4.3956
50 4Q5M ROC 0.0235 0.40579 4.4335
51 1I7L ATP 0.0001989 0.49638 4.52962
52 1M0W ANP 0.0006516 0.45651 4.52962
53 4DFU QUE 0.00439 0.43039 4.52962
54 1PK8 ATP 0.0001716 0.41596 4.52962
55 1IA9 ANP 0.00001444 0.48615 4.64286
56 4UWH JXM 0.0004069 0.46595 4.87805
57 5IH1 6BQ 0.008838 0.44297 4.87805
58 5IH1 GDP 0.01153 0.43696 4.87805
59 5FI4 5XV 0.004472 0.43144 4.87805
60 1EHI ADP 0.002082 0.40672 4.87805
61 2CJF RP4 0.01814 0.4021 5.09554
62 4R78 AMP 0.000007522 0.55864 5.22648
63 3WVR AMP 0.0001646 0.48408 5.22648
64 4MV1 ADP 0.001047 0.47282 5.22648
65 4ZS4 ATP 0.00004004 0.4712 5.22648
66 4U98 ACP 0.0002675 0.45603 5.22648
67 3HAV ATP 0.0001733 0.45198 5.22648
68 2AQX ATP 0.0005004 0.41596 5.22648
69 5W2I ADP 0.00004656 0.52665 5.44747
70 5W2I I3P 0.00004656 0.52665 5.44747
71 3PDT ADP 0.00008438 0.49746 5.45455
72 2PYW ADP 0.00000606 0.56178 5.57491
73 2IF8 ADP 0.00003592 0.48887 5.57491
74 1OBD ATP 0.004704 0.41454 5.57491
75 3VSV XYS 0.01472 0.40549 5.57491
76 2PHN GDP 0.01049 0.41359 5.90551
77 3ORQ ADP 0.003059 0.43398 5.92335
78 4CM9 NAP 0.01362 0.41639 5.92335
79 4CLR NAP 0.01302 0.4161 5.92335
80 3TY5 ATP 0.004116 0.41314 5.92335
81 3TY5 ADP 0.007385 0.40782 5.92335
82 1S68 AMP 0.001089 0.42663 6.0241
83 4WUJ FMN 0.01157 0.40478 6.12245
84 3X01 AMP 0.00005546 0.52895 6.27178
85 3VOT ADP 0.00008801 0.487 6.27178
86 4DV8 0LX 0.0176 0.41545 6.27178
87 2WD7 NAP 0.01283 0.41641 6.34328
88 1W2D ADP 0.00008874 0.50004 6.41509
89 1TZD ADP 0.00008821 0.43601 6.54545
90 3TDV GDP 0.00000976 0.50204 6.62021
91 3V4S ATP 0.001932 0.44536 6.62021
92 3V4S ADP 0.01679 0.41648 6.62021
93 3T4L ZEA 0.003751 0.42582 6.66667
94 3BF1 PAU 0.008803 0.40203 6.82731
95 3BF1 ADP 0.01707 0.40184 6.82731
96 5VZ0 ADP 0.0002222 0.4807 6.96864
97 5IGI ZIT 0.002632 0.45919 6.96864
98 5IGI GMP 0.002495 0.45919 6.96864
99 2BKK ADP 0.00002739 0.51691 7.10059
100 3ETH ATP 0.001971 0.44493 7.31707
101 4LH7 1X8 0.0008416 0.46263 7.66551
102 3W0O HY0 0.00001285 0.42588 8.01394
103 3W0O ADP 0.00001285 0.42588 8.01394
104 1ZTH ADP 0.000000999 0.57208 8.13953
105 1ZP9 ATP 0.000004345 0.54079 8.13953
106 5COU ATP 0.0002425 0.47894 8.7108
107 5CGE 51F 0.00261 0.41408 8.7108
108 4GYI ADP 0.00002501 0.51871 9.05923
109 3I0O ADP 0.0002336 0.4803 9.05923
110 3DGY 2GP 0.01669 0.40408 9.27835
111 2GQS ADP 0.006151 0.41368 9.2827
112 2GQR ADP 0.01012 0.40361 9.2827
113 3TII ANP 0.0004001 0.4578 9.40767
114 1NY5 ADP 0.002393 0.43495 9.40767
115 4J7Q B7N 0.02229 0.41027 9.40767
116 1T36 ADP 0.0009949 0.46791 9.7561
117 2OVD DAO 0.008954 0.41857 9.89011
118 3VPB ADP 0.00002363 0.54292 10.2837
119 3VPC ADP 0.0001084 0.43806 10.2837
120 4OAV ACP 0.00000000103 0.72833 10.8014
121 5IQD RIO 0.0001525 0.52139 11.4983
122 5IQD GNP 0.0001432 0.52139 11.4983
123 4AZW ATP 0.00007595 0.50988 11.4983
124 4AZT LY2 0.002019 0.4363 11.4983
125 2IO8 ADP 0.000117 0.42336 11.8467
126 4FC7 COA 0.04369 0.40274 11.9134
127 4FC7 NAP 0.04369 0.40274 11.9134
128 4WW7 AMP 0.0000005692 0.61317 14.1762
129 4IX4 ADP 0.0000005421 0.61134 14.2857
130 3HRD FAD 0.02075 0.41865 14.375
131 1TQP ATP 0.00003049 0.44419 14.8936
132 3SJK LYS PRO VAL LEU ARG THR ALA 0.01159 0.41612 15.7895
133 2PUL ACP 0.004932 0.44655 17.4216
134 5CKW ANP 0.000003717 0.54887 18.4669
135 4O1P ANP 0.000000001325 0.72728 20.2091
136 3AB4 THR 0.0118 0.40019 21.9101
137 4CYI ATP 0.000002426 0.58058 22.9965
138 1RM6 PCD 0.03022 0.40935 26.087
139 4E1Z 0MX 0.000000006847 0.57643 30.3136
140 4GJ3 0XP 0.0000000003539 0.79006 30.662
141 4CRL C1I 0.0000000296 0.69984 30.662
142 3LXN MI1 0.000000001014 0.62997 30.662
143 4IDT T28 0.0000000004345 0.74573 31.0105
144 5T8O 76Z 0.000000006705 0.59612 31.7073
145 3H9R TAK 0.0000001397 0.59879 32.0557
146 3UIM ANP 0.00000005583 0.59231 32.0557
147 2QLU ADE 0.0000004164 0.48856 33.101
148 3KRR DQX 0.00000001998 0.75015 33.4495
149 3LXK MI1 0.000000005506 0.72371 33.4495
150 4XH0 ADP 0.000001269 0.61124 33.4495
151 5LXC 7AA 0.000000001291 0.71951 33.7979
152 1VJY 460 0.0000000007399 0.77683 34.1463
153 4Q5H ANP 0.00008084 0.50371 34.4828
154 5U6C 7YS 0.0000000002989 0.76904 34.4948
155 5HX8 66P 0.0000000008662 0.57031 34.4948
156 4FF8 14S 0.000004347 0.54495 34.4948
157 5LPB ADP 0.00000000417 0.67722 34.8432
158 4UX9 ANP 0.00000000427 0.605 34.8432
159 4KBA 1QM 0.00001335 0.4376 34.8432
160 5LPZ ADP 0.000000001029 0.73242 35.1916
161 3PTG 932 0.000000001192 0.68366 35.1916
162 4WHZ 3NL 0.0000009136 0.6467 35.1916
163 3GNI ATP 0.0000001151 0.64316 35.1916
164 3TTI KBI 0.00000005436 0.51074 35.1916
165 1BYG STU 0.000000002722 0.70457 35.2518
166 4IZY 1J2 0.0000005034 0.53357 35.5401
167 3E8N ATP 0.000000007572 0.43308 36.2369
168 3E8N VRA 0.000000007572 0.43308 36.2369
169 2WU6 DKI 0.0000000002581 0.7756 36.5854
170 5AWM ANP 0.00000003403 0.63792 36.5854
171 2OO8 RAJ 0.00006084 0.51674 36.5854
172 4EWH T77 0.000000003403 0.54262 36.7273
173 3E7O 35F 0.00000001306 0.71522 36.9338
174 4FL3 ANP 0.000000001561 0.73492 37.6307
175 5C03 AGS 0.0000008097 0.59712 37.6307
176 3KMW ATP 0.000002306 0.57281 37.6307
177 3PP0 03Q 0.00000003048 0.526 37.9791
178 4YZC STU 0.0000000009251 0.78143 38.3275
179 5USZ SKE 0.000000006792 0.71927 38.3275
180 3PLS ANP 0.000000001974 0.71521 38.3275
181 4WNK 453 0.0000000347 0.68968 38.3275
182 4E93 GUI 0.0000000006067 0.52972 38.3275
183 4WOV 3SM 0.0000009908 0.58291 38.676
184 4BKJ STI 0.00001838 0.54819 38.676
185 3EKK GS2 0.000000004838 0.47985 38.676
186 5JKG 6LF 0.000000005588 0.74436 39.0244
187 5EFQ ADP 0.000000006574 0.69479 39.0244
188 4NST ADP 0.0000000149 0.67819 39.0244
189 4Y93 746 0.00000007925 0.66227 39.0244
190 5BYZ 4WE 0.0000003306 0.64379 39.0244
191 3KRL KRL 0.000000001689 0.59666 39.0244
192 3GC8 B45 0.00000001439 0.57149 39.0244
193 5EKO N17 0.0001205 0.50478 39.0244
194 4RFM 3P6 0.00000005941 0.4097 39.0977
195 3BU5 ATP 0.0000000008533 0.73622 39.3728
196 5HCY 60D 0.0000000136 0.7342 39.3728
197 4YLL 4E3 0.0000007547 0.61003 39.3728
198 1ZY5 ANP 0.0000007738 0.59482 39.3728
199 4U0I 0LI 0.0000001702 0.65799 40.0697
200 4BCN T9N 0.00000000002078 0.7971 40.4181
201 3RI1 3RH 0.0000000002217 0.78855 40.4181
202 4CFU 2WC 0.00000000001673 0.77421 40.4181
203 4BCQ TJF 0.0000000009675 0.70504 40.4181
204 4BCM T7Z 0.00000000336 0.64421 40.4181
205 1CM8 ANP 0.0000002377 0.61862 40.4181
206 5LMK 6ZK 0.0000006865 0.59382 40.4181
207 2BPM 529 0.0000000001896 0.44341 40.4181
208 3SRV S19 0.0000000003129 0.75235 40.4332
209 3SXS PP2 0.00000005092 0.6599 40.6716
210 5X8I SQZ 0.00000000448 0.70257 40.7666
211 4Y85 499 0.00000005622 0.64768 40.7666
212 5CEO 50D 0.000001126 0.59044 40.7666
213 4AT3 LTI 0.000000001801 0.5293 40.7666
214 4F4P 0SB 0.00000003804 0.7304 41.0256
215 5JFS 6K0 0.00000001103 0.73339 41.115
216 4K33 ACP 0.000000003319 0.71239 41.115
217 1U59 STU 0.00000000005287 0.71069 41.115
218 2PVF ACP 0.0000000006079 0.68536 41.115
219 3NW7 LGV 0.00000171 0.62997 41.115
220 5MY8 RXZ 0.000001795 0.59691 41.115
221 2Y6O 1N1 0.0000001042 0.6482 41.4634
222 5KO1 6UY 0.00000002454 0.6644 41.6961
223 5FBN 5WF 0.0000000146 0.71724 41.6974
224 3F7Z 34O 0.00000000004736 0.79489 41.8118
225 2JLD AG1 0.0000000005746 0.78475 41.8118
226 2X2M X2M 0.0000000001951 0.77784 41.8118
227 3ZRM ZRM 0.00000002531 0.66744 41.8118
228 4NM5 ADP 0.00000654 0.60511 41.8118
229 2CSN CKI 0.0007887 0.50274 41.8118
230 5NKB 8ZT 0.00000001393 0.44819 41.8118
231 5HQ0 LZ9 0.00000000006582 0.79643 42.1603
232 5UR1 YY9 0.000000001895 0.77596 42.1603
233 4QMN DB8 0.000000007122 0.73491 42.1603
234 3GQI ACP 0.000000009386 0.61867 42.1603
235 5HES 032 0.00000000465 0.71239 42.5087
236 4BTK DTQ 0.000002665 0.57295 42.5087
237 2H8H H8H 0.0000000004689 0.74837 42.8571
238 4CLI 5P8 0.00000001049 0.73994 42.8571
239 3SLS ANP 0.0000000132 0.69086 42.8571
240 5EOB 5QQ 0.0000002337 0.684 42.8571
241 3SXF BK5 0.0000002397 0.65674 42.8571
242 3ALN ANP 0.0000002903 0.62416 42.8571
243 1K3A ACP 0.0000001688 0.6181 42.8571
244 5UKL SIX 0.0000009005 0.616 42.8571
245 1Y57 MPZ 0.00000001259 0.56578 42.8571
246 3C1X CKK 0.000002776 0.4951 42.8571
247 3PVW QRX 0.0000008251 0.47976 42.8571
248 3G5D 1N1 0.000000006559 0.76632 43.2056
249 5VC5 96M 0.00000000004484 0.82536 43.554
250 4YMJ 4EJ 0.000000002625 0.74924 43.554
251 5TO8 7FM 0.000000006275 0.74382 43.554
252 2HK5 1BM 0.000000006598 0.70185 43.554
253 4XLI 1N1 0.000000004699 0.69772 43.554
254 4ASE AV9 0.00000002279 0.69369 43.554
255 4L9I 8PR 0.00001694 0.53259 43.554
256 3VRY B43 0.0000001531 0.51104 43.554
257 4AG8 AXI 0.000000005153 0.47292 43.554
258 1JPA ANP 0.000000142 0.45844 43.554
259 5UOX 8GY 0.00000000002423 0.82089 43.9024
260 2OFV 242 0.00000002469 0.70795 43.9024
261 2XVD AS6 0.00000001685 0.70261 43.9024
262 4TWP AXI 0.00000000001316 0.89002 44.2509
263 4BHN BH9 0.00000000003859 0.8074 44.2509
264 5JGA 6KC 0.0000000002807 0.79764 44.2509
265 5MJA 7O3 0.0000001105 0.63039 44.2509
266 1U5R ATP 0.000000004386 0.63391 44.9477
267 1OPK P16 0.000000007997 0.50018 44.9477
268 5N87 N66 0.000000003576 0.74986 45.2962
269 5DA3 58V 0.00000006204 0.64821 45.2962
270 5H2U 1N1 0.0000001221 0.63551 45.2962
271 2WEL K88 0.00000003798 0.59114 45.2962
272 3FC2 IBI 0.0001187 0.55282 45.2962
273 5TA6 79D 0.000000005625 0.53196 45.2962
274 3VHE 42Q 0.00000002462 0.49771 45.2962
275 4WB6 ATP 0.000000005014 0.72294 45.6446
276 3HMO STU 0.000000001846 0.71656 45.6446
277 4LOO SB4 0.0000128 0.54112 45.6446
278 4WB7 ATP 0.00000001071 0.4708 45.6446
279 2A19 ANP 0.000000003231 0.70847 45.993
280 1OUK 084 0.00003697 0.59963 45.993
281 3IGO ANP 0.0000006738 0.51526 45.993
282 4D2S DYK 0.000000009415 0.67549 46.1268
283 3O0G 3O0 0.00000000002671 0.80197 46.3415
284 1UNH IXM 0.0000000000336 0.78755 46.3415
285 3HZT J60 0.0000001506 0.63013 46.3415
286 3FHI ANP 0.00000000426 0.72637 46.6899
287 2QCS ANP 0.000000004692 0.72434 46.6899
288 4P5Z Q7M 0.00000002069 0.71578 46.6899
289 4H3Q ANP 0.000000009238 0.70137 46.6899
290 2F57 23D 0.000000008457 0.68187 46.6899
291 4H3P ANP 0.00000002234 0.66997 46.6899
292 2GU8 796 0.0000000008185 0.81351 47.0383
293 5BVE 4VG 0.000000003318 0.7888 47.0383
294 3IDB ANP 0.00000000121 0.59714 47.0383
295 4QTB 38Z 0.000000001558 0.75313 47.7352
296 2ZV2 609 0.000000002474 0.71392 48.0836
297 4CSV STI 0.0000001264 0.64709 48.7273
298 5LI1 ANP 0.0000000002148 0.77586 48.7805
299 4DC2 ADE 0.000000006967 0.59145 49.8258
Pocket No.: 2; Query (leader) PDB : 4WNP; Ligand: 3RJ; Similar sites found: 25
This union binding pocket(no: 2) in the query (biounit: 4wnp.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4O12 2QG 0.03597 0.43225 1.79641
2 3SIG AR6 0.003649 0.42374 1.80505
3 3LLZ GAL NGA 0.004888 0.42774 2.25564
4 2Z49 AMG 0.01465 0.42076 3.13589
5 4FFG LBS 0.01091 0.41549 3.13589
6 5NCY 8TK 0.0002281 0.40552 3.48432
7 3F3E LEU 0.008627 0.42661 4.18118
8 2BES RES 0.008871 0.40627 4.65116
9 4B1L FRU 0.003381 0.43364 4.84848
10 1SIV PSI 0.01013 0.41769 5.05051
11 1JXZ BCA 0.01494 0.4047 5.20446
12 1NZY BCA 0.01507 0.40452 5.20446
13 1GPE FAD 0.04016 0.40085 5.22648
14 3BMQ NAP 0.0187 0.40263 5.92335
15 3SM2 478 0.01605 0.41351 6.06061
16 1W2D 4IP 0.0004524 0.40599 6.41509
17 2I0D MUT 0.03685 0.41287 9.09091
18 2FXD DR7 0.01775 0.40246 9.09091
19 2UUU PL3 0.03893 0.40659 9.40767
20 2UUU FAD 0.03893 0.40659 9.40767
21 1UPR 4IP 0.02689 0.41293 9.7561
22 4HSU FAD 0.03498 0.40308 10
23 2G50 PYR 0.004546 0.44025 10.1045
24 5LXT ACP 0.001705 0.40207 10.8014
25 1O9U ADZ 0.009078 0.40189 41.8118
Pocket No.: 3; Query (leader) PDB : 4WNP; Ligand: 3RJ; Similar sites found: 16
This union binding pocket(no: 3) in the query (biounit: 4wnp.bio4) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZIN AP5 0.02011 0.40972 1.84332
2 2TPS TPS 0.01387 0.40348 2.20264
3 1YQD NAP 0.01953 0.40519 2.78746
4 4PU5 ANP 0.002076 0.40174 2.78746
5 2FZH DH1 0.03155 0.40281 2.91262
6 3LOO B4P 0.02511 0.401 3.13589
7 4I42 1HA 0.0175 0.40275 3.15789
8 3BRN SRO 0.00229 0.45187 3.18471
9 2IHT TPP 0.01578 0.40087 3.83275
10 2GAG FOA 0.02326 0.41274 6.06061
11 4AGQ P96 0.01301 0.40024 6.39269
12 4EN4 ATP 0.0122 0.4193 7.31707
13 4EN4 GT0 0.0122 0.4193 7.31707
14 4EN4 GT1 0.0122 0.4193 7.31707
15 5T2Z 017 0.01999 0.40001 13.1313
16 3BZ3 YAM 0.00000003288 0.40632 39.4928
Pocket No.: 4; Query (leader) PDB : 4WNP; Ligand: 3RJ; Similar sites found: 20
This union binding pocket(no: 4) in the query (biounit: 4wnp.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4B7X NAP 0.01874 0.40714 1.74216
2 2ZB3 NDP 0.01933 0.40407 2.43902
3 1S4M LUM 0.01263 0.40892 2.78746
4 1RE9 DSO 0.01494 0.40545 2.78746
5 4LI4 AMP 0.003742 0.40232 2.94118
6 4KM2 ATR 0.02776 0.4051 3.35196
7 5L0U 660 0.01557 0.4046 3.48432
8 1VEM GLC GLC 0.02472 0.40009 3.48432
9 2DM6 IMN 0.03521 0.40177 3.83275
10 1P6O HPY 0.002187 0.40749 4.34783
11 4EIL NDP 0.01493 0.4082 4.87805
12 1JQ3 AAT 0.02569 0.40268 6.27178
13 4CNG SAH 0.01358 0.40883 6.27451
14 4L2I NAD 0.04326 0.40142 6.96864
15 5FI3 NAP 0.02084 0.40371 7.31707
16 4DP3 NDP 0.04079 0.40274 7.31707
17 4DP3 MMV 0.04079 0.40274 7.31707
18 3KJS NAP 0.01634 0.40759 8.7108
19 4I54 1C1 0.01138 0.41645 12.5436
20 4WN5 MVC 0.01316 0.40354 14.7826
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