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Receptor
PDB id Resolution Class Description Source Keywords
6CMJ 2.4 Å EC: 2.7.11.17 HUMAN CAMKK2 WITH GSK650393 HOMO SAPIENS KINASE SIGNALING PROTEIN TRANSFERASE-TRANSFERASE INHIBITOR
Ref.: AN ORALLY AVAILABLE, BRAIN-PENETRANT CAMKK2 INHIBIT REDUCES FOOD INTAKE IN RODENT MODEL. BIOORG. MED. CHEM. LETT. V. 28 1958 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMT A:504;
A:503;
A:502;
B:502;
B:504;
B:503;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
F6J A:501;
B:501;
Valid;
Valid;
none;
none;
ic50 = 5 nM
370.444 C24 H22 N2 O2 CC(C)...
EDO A:505;
B:506;
B:505;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6CMJ 2.4 Å EC: 2.7.11.17 HUMAN CAMKK2 WITH GSK650393 HOMO SAPIENS KINASE SIGNALING PROTEIN TRANSFERASE-TRANSFERASE INHIBITOR
Ref.: AN ORALLY AVAILABLE, BRAIN-PENETRANT CAMKK2 INHIBIT REDUCES FOOD INTAKE IN RODENT MODEL. BIOORG. MED. CHEM. LETT. V. 28 1958 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 6CMJ ic50 = 5 nM F6J C24 H22 N2 O2 CC(C)Cc1cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2ZV2 - 609 C19 H10 N2 O3 c1ccc2c(c1....
2 6CMJ ic50 = 5 nM F6J C24 H22 N2 O2 CC(C)Cc1cc....
50% Homology Family (420)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3IGO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 3NCG - BK1 C19 H19 N5 CC(C)n1c2c....
3 3MWU - BK3 C22 H24 N6 c1ccc2c(c1....
4 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
5 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
6 6FCK ic50 = 0.031 uM D4Z C20 H22 N4 O c1ccc(cc1)....
7 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
8 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
9 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
10 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
11 5OQ7 ic50 = 0.8743 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
12 5F4N ic50 = 2.2 nM 5UY C17 H19 N7 O3 COC(=O)c1c....
13 2E9N ic50 = 6.2 nM 76A C29 H27 N3 O3 c1cc(ccc1c....
14 2YM3 ic50 = 1.2 uM YM3 C14 H19 N5 O3 CCOC(=O)c1....
15 2YDI - YDI C16 H20 N4 O3 S CN(C)CCOc1....
16 5OP5 ic50 = 0.4964 uM 3FE C17 H15 N5 O c1cc(cc(c1....
17 3NLB ic50 = 35 nM 5BE C21 H28 N6 O Cc1c(c([nH....
18 3JVR Ki = 1.89 uM AGX C16 H13 Cl2 N3 O2 C[C@@H](c1....
19 2WMX ic50 = 0.86 uM ZY6 C17 H19 N5 O c1ccc(cc1)....
20 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
21 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
22 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
23 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
24 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
25 5OP7 - A1K C19 H21 Cl N6 O3 CNc1c2c(c[....
26 5OOP - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
27 5OPR ic50 = 5.8506 uM A3E C21 H26 N6 O CC(C)n1cc(....
28 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
29 5OQ5 ic50 = 0.052 uM 4K4 C31 H38 N8 O3 CN1CCN(CC1....
30 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
31 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
32 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
33 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
34 5OQ8 ic50 = 4.0577 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
35 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
36 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
37 5OPS ic50 = 1.9827 uM A3Q C14 H9 N3 O c1cc(cc(c1....
38 3JVS Ki = 0.146 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
39 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
40 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
41 2C3L Ki = 0.026 uM IDZ C14 H10 N4 c1ccc2c(c1....
42 5OP2 ic50 = 0.5543 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
43 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
44 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
45 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
46 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
47 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 C[C@@]12[C....
48 5OOR - STU C28 H26 N4 O3 C[C@@]12[C....
49 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
50 4RVK ic50 = 13.5 nM 3XK C19 H13 N5 O CC(=O)Nc1c....
51 2HOG ic50 = 0.3 nM 710 C24 H25 N7 O c1cc2c(cc1....
52 6FC8 ic50 = 0.012 uM D4Q C19 H19 F N4 O S c1cc(cc(c1....
53 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
54 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
55 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
56 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
57 6GUH Kd = 26 nM FB8 C18 H21 N5 O2 S Cc1ncc(n1C....
58 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
59 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
60 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
61 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
62 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
63 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
64 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
65 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
66 5FP5 - 1Y6 C7 H5 F O2 c1cc(ccc1C....
67 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
68 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
69 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
70 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
71 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
72 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
73 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
74 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
75 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
76 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
77 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
78 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
79 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
80 4ERW - STU C28 H26 N4 O3 C[C@@]12[C....
81 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
82 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
83 5IEV - R0N C18 H23 F3 N4 O3 S C[C@H]([C@....
84 4D1X - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
85 5MHQ - 8QT C19 H27 N7 O CC[C@@H]([....
86 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
87 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
88 5FP6 - MFZ C11 H7 Cl2 N O c1cc(c2c(c....
89 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
90 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
91 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
92 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
93 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
94 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
95 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
96 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
97 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
98 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
99 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
100 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
101 5A14 - LQ5 C24 H26 F3 N7 O2 CN1CCN(CC1....
102 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
103 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
104 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
105 5D1J ic50 = 48 nM 56H C17 H24 N4 O2 S2 CC(C)(C)c1....
106 5IEY - 6AE C14 H19 N5 O3 S C[C@H]([C@....
107 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
108 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
109 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
110 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
111 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
112 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
113 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
114 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
115 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
116 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
117 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
118 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
119 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
120 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
121 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
122 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
123 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
124 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
125 1H08 - BYP BWP n/a n/a
126 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
127 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
128 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
129 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
130 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
131 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
132 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
133 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
134 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
135 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
136 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
137 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
138 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
139 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
140 6GUK Kd = 725 nM FC8 C19 H24 Cl N7 CCn1cnc2c1....
141 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
142 4D1Z - WG8 C13 H10 N2 O3 S c1cc2ccc(n....
143 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
144 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
145 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
146 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
147 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
148 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
149 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
150 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
151 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
152 5XVG Ki = 0.009 uM 8FX C20 H22 Cl N7 O C[C@@H]1CN....
153 2ZV2 - 609 C19 H10 N2 O3 c1ccc2c(c1....
154 4ONA ic50 = 0.002 uM UW1 C19 H23 N5 O2 CCOc1ccc2c....
155 4JBV ic50 = 0.003 uM V68 C26 H32 N6 O CC(C)COc1c....
156 3NYV - DTQ C16 H15 N3 O3 COc1cc2c(c....
157 3T3U Ki = 0.0025 uM BK6 C22 H24 N6 O COc1ccc2cc....
158 3KU2 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
159 4M84 ic50 = 0.049 uM 21E C17 H19 N5 O CC(C)(C)n1....
160 3HX4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
161 3UPX Ki = 0.0075 uM B6A C20 H22 N4 O c1ccc(cc1)....
162 3SXF Ki = 0.0025 uM BK5 C20 H21 N5 O CCOc1ccc2c....
163 3T3V Ki = 0.003 uM BK4 C19 H19 N5 O CC(C)n1c2c....
164 3I7B ic50 = 0.066 uM BK1 C19 H19 N5 CC(C)n1c2c....
165 3V5P Ki = 0.011 uM C88 C19 H24 N6 O Cc1cc(ccc1....
166 3V51 - I76 C25 H22 Cl N5 O CC(C)n1c2c....
167 3UPZ - B5A C11 H16 N6 c1c2c(ncnc....
168 3I7C ic50 = 0.018 uM BK2 C19 H19 N5 CC(C)(C)n1....
169 3V5T - UW9 C24 H30 N6 O CCOc1ccc2c....
170 3N51 - BK3 C22 H24 N6 c1ccc2c(c1....
171 5OTO - AQW C24 H23 Cl2 N3 CCc1ccccc1....
172 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
173 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
174 6EII - B5W C22 H23 Cl N c1ccc(cc1)....
175 5CU0 - 54R C18 H21 Cl N2 O CC(=O)NCCC....
176 5H8E ic50 < 0.003 uM 5Y3 C21 H25 N9 O CC(=O)Nc1c....
177 5OWH - B0K C10 H9 Br4 N3 c1nc2c(n1C....
178 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
179 5MOE Kd = 500 uM OQC C11 H10 Cl N O c1cc(c(cc1....
180 5OUE - AVZ C18 H19 Cl N3 c1ccc(cc1)....
181 5MOD Kd = 300 uM 86L C10 H14 Cl N O CC(C)Oc1cc....
182 5OWL - B0K C10 H9 Br4 N3 c1nc2c(n1C....
183 5CU3 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
184 5OTR - AU8 C13 H12 Cl2 N c1ccc(cc1)....
185 4KWP Ki = 0.04 uM EXX C12 H10 Br4 N2 O3 c1nc2c(n1[....
186 5OSL - A9K C13 H12 Cl N O c1ccc(c(c1....
187 5N9N Ki = 0.4 nM KC5 C20 H15 Cl2 N O4 COc1ccc(cc....
188 5CSP Kd = 58 uM 54G C8 H8 O3 Cc1ccc(c(c....
189 5CTP - 54R C18 H21 Cl N2 O CC(=O)NCCC....
190 5MOW - BR9 C5 H6 Br N3 c1c(cnc(c1....
191 4UB7 Ki = 2.5 nM 3G5 C16 H8 Br2 O5 c1cc(ccc1C....
192 5MMF - JMB C16 H19 Cl N CCC[NH2+]C....
193 5OTH - AQ8 C25 H26 Cl N3 O CCc1ccccc1....
194 1PJK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
195 3NSZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
196 5OTI - AOK C25 H26 Cl N3 CCc1ccccc1....
197 3AXW - TID C9 H7 N3 O2 S c1cc(ccc1c....
198 5MO6 - KXZ C19 H21 Cl N2 O3 c1ccc(cc1)....
199 2PVR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
200 3C13 - EMO C15 H10 O5 Cc1cc2c(c(....
201 5CS6 Kd = 630 uM K82 C10 H14 Cl N O CCCOc1ccc(....
202 3PE2 Ki = 0.175 nM E1B C20 H12 N4 O2 C#Cc1cccc(....
203 5CT0 - 54P C16 H18 Cl N O c1ccc(cc1)....
204 5CU6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
205 5M4C - 7EY C16 H14 N2 O2 S2 Cc1ccc(cc1....
206 5MO7 - YRA C16 H17 Cl N2 O c1ccc(cc1)....
207 5N9L Ki = 15 nM 8QH C20 H15 Cl2 N O3 Cc1ccc(cc1....
208 5OT5 - AWK C25 H26 Cl N3 CCc1ccccc1....
209 3OWK ic50 = 1.5 uM 18E C16 H11 Cl N2 O Cc1cnc(c2c....
210 5MMR - H83 C17 H21 Cl N2 c1ccc(cc1)....
211 5MPJ - J2P C15 H17 Cl N CC[NH2+]Cc....
212 5OQU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
213 6GIH - EZN C15 H13 Cl N2 c1cc(c2cc[....
214 5CSV - GAB C7 H7 N O2 c1cc(cc(c1....
215 5MOT - HBD C7 H7 N O2 c1cc(ccc1C....
216 3R0T ic50 = 0.91 nM FU9 C22 H16 F3 N5 O2 c1cc(cc(c1....
217 3PE1 Ki = 0.38 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
218 3JUH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
219 5CLP - 42J C8 H9 Cl2 N c1cc(c(cc1....
220 5ORH Kd = 41 uM A4N C14 H14 Cl N Cc1ccccc1c....
221 3H30 Ki = 29.2 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
222 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
223 5OSZ - AHK C24 H25 Cl N3 CCc1ccccc1....
224 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
225 5OT6 - AJK C19 H20 Cl N2 c1ccc(cc1)....
226 6EHK - AUW C24 H23 Cl2 N3 CCc1ccccc1....
227 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
228 5OS8 - J27 C14 H14 Cl F N Cc1cc(ccc1....
229 5OTY - AUW C24 H23 Cl2 N3 CCc1ccccc1....
230 5OTD - AOW C24 H24 Cl N4 O2 CCc1ccccc1....
231 6GMD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
232 5CVF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
233 5CX9 - 551 C20 H23 Cl N2 O3 COC(=O)CC(....
234 5OUL - AWE C13 H11 Cl F N c1cc(cc(c1....
235 3SHE - I85 C24 H22 F3 N5 O2 c1cc(cc(c1....
236 5IZJ - 6J9 C10 H13 N5 c1c[nH]c2c....
237 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
238 5IZF Kd = 1.7 nM 6J9 AZ1 DAR ACA DAR NH2 n/a n/a
239 2VZ6 - FEF C20 H19 N3 O4 c1ccc2c(c1....
240 2Z7R ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
241 4J8M ic50 = 48 nM CJ5 C26 H25 F3 N8 O c1cc(cc(c1....
242 5ORO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
243 5OS4 Kd = 1665 uM A8H C14 H15 N O2 c1ccc(cc1)....
244 6HJJ ic50 = 1.7 uM G7T C26 H24 F4 N6 O2 Cc1cc(ccc1....
245 5ORS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
246 5ORL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
247 5DR9 - 5E2 C16 H9 Br Cl N O2 c1cc(cc(c1....
248 4DEA ic50 = 256 nM NHI C18 H14 N4 O4 c1cc(ccc1C....
249 5DN3 Kd = 3.77 uM 5DN C16 H9 Br F N O2 c1cc(cc(c1....
250 5ORP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
251 4DEE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
252 5OSE Kd = 681 uM A98 C6 H9 N3 O2 S2 CCSc1nnc(s....
253 5DNR - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
254 3UOD Kd = 49 nM 0C3 C18 H13 F3 N4 O2 c1ccc(c(c1....
255 3EFW - AK8 C25 H21 F3 N6 O2 Cc1cc(ccc1....
256 5DT0 - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
257 3UO4 Kd = 299 nM 0C0 C23 H18 N4 O2 c1ccc(cc1)....
258 3UP2 Kd = 40 nM 0C8 C18 H13 F3 N4 O3 c1ccc(c(c1....
259 5ORX ic50 = 308 uM A6H C11 H8 Cl2 N2 O c1cc(c(c(c....
260 5ORN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
261 5OS5 ic50 = 108 uM A8K C12 H10 O2 S c1cc(ccc1O....
262 5DR2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
263 3DJ5 - AK5 C21 H20 Br N5 O3 S COc1ccc(cc....
264 3UOL ic50 = 3.1 nM 0C7 C17 H13 Cl N8 c1ccc(c(c1....
265 3D14 ic50 = 22 nM AK1 C19 H15 F3 N6 O S2 c1cc(cc(c1....
266 5OSD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
267 5OS2 Kd = 1821 uM A7K C13 H21 N2 O c1ccc(c(c1....
268 4BN1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
269 2NP8 ic50 = 42 nM CC3 C21 H18 F3 N5 O c1cc(cc(c1....
270 5ORR ic50 = 899 uM A5Q C9 H6 F3 N3 S c1cc(ccc1c....
271 4JBQ - VX6 C23 H28 N8 O S Cc1cc([nH]....
272 5OS3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
273 5DRD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
274 5DPV - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
275 5ORZ ic50 = 245 uM A6W C10 H9 N O2 S2 COC(=O)c1c....
276 4UYN ic50 = 2 nM Y3M C25 H22 N4 O4 S CCOC(=O)c1....
277 5DT3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
278 2WTV Ki = 1.8 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
279 6HJK ic50 = 25 nM G7W C25 H20 F4 N6 O2 CC(C)n1c2c....
280 3O50 - LJE C24 H17 F3 N4 O2 Cc1cc(ccc1....
281 2J4Z ic50 = 65 nM 626 C23 H24 N6 O2 S CN1CCN(CC1....
282 3LAU ic50 = 0.044 uM OFI C17 H17 N3 O2 CCCC(=O)Nc....
283 3DAJ ic50 = 2.9 uM FXG C22 H29 N7 O2 CCCCNC(=O)....
284 4JBO ic50 = 24 nM WPH C31 H32 N6 O3 CN(C)CCOc1....
285 5ORW Kd = 796 uM A6E C13 H16 F N O2 S c1cc(ccc1O....
286 2C6D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
287 5OS0 Kd = 2792 uM A6Z C12 H15 Cl N3 c1cc(cc(c1....
288 3K5U ic50 = 309 nM PFQ C20 H17 N3 O2 c1ccc(cc1)....
289 4KS7 - X4Z C25 H28 N8 O S Cc1nc2ccsc....
290 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
291 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
292 2OXY - K17 C7 H2 Br4 N2 c1[nH]c2c(....
293 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
294 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
295 1ZOE Ki = 0.04 uM K25 C9 H7 Br4 N3 CN(C)c1[nH....
296 2PVL Ki = 0.024 uM P55 C18 H20 N8 CCN1CCN(CC....
297 1LP4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
298 2PVN Ki = 0.00035 uM P63 C20 H16 N8 O CC(=O)Nc1c....
299 3KXG - K6X C7 H Br5 N2 c12c(c(c(c....
300 3BE9 Ki = 24 nM P04 C19 H21 N7 O c1cc2cc(c1....
301 2OXX - K22 C7 H2 Br4 N2 S c12c(c(c(c....
302 3KXM - K74 C11 H9 Br4 N3 O S CNC(=O)CSc....
303 1LR4 - BEN C7 H8 N2 [H]/N=C(c1....
304 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
305 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
306 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
307 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
308 3EH9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
309 1IG1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
310 5AUW ic50 = 8.9 uM QUE C15 H10 O7 c1cc(c(cc1....
311 5AV2 - KMP C15 H10 O6 c1cc(ccc1C....
312 5AUU ic50 = 21 uM LU2 C15 H10 O6 c1cc(c(cc1....
313 3EHA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
314 5AV3 - KMP C15 H10 O6 c1cc(ccc1C....
315 5AUT Kd = 6.7 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
316 5AV0 ic50 = 280 uM 47X C15 H10 O5 c1cc(c(cc1....
317 1JKK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
318 3F5U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
319 5AV4 - GEN C15 H10 O5 c1cc(ccc1C....
320 5AUX ic50 = 10 uM KMP C15 H10 O6 c1cc(ccc1C....
321 5AUV ic50 = 31 uM AGI C15 H10 O5 c1cc(ccc1C....
322 2XK6 - EQH C18 H21 N3 O2 S c1csc(c1C2....
323 2W5A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
324 5M55 ic50 = 0.24 uM 7GG C17 H20 N6 CCN(CC)/C=....
325 2XNM ic50 = 0.16 uM WGZ C27 H27 F3 N4 O3 S C[C@H](c1c....
326 2XKF ic50 = 0.87 uM BX1 C19 H24 N4 O5 COc1cc(cc(....
327 2JAV ic50 ~ 8 uM 5Z5 C17 H16 Cl N3 O2 Cc1c([nH]c....
328 5M53 ic50 = 0.62 uM 7GJ C21 H26 N6 O2 CN(C)C(=O)....
329 2XK8 ic50 = 2.4 uM 5R1 C21 H21 N3 O6 COc1cc(ccc....
330 2WQO - VGK C21 H20 N2 O5 COc1cc(cc(....
331 2XKE ic50 = 4.2 uM WI2 C17 H20 N4 O3 COc1cccc(c....
332 2XNN - 430 C21 H16 F3 N3 O2 S C[C@H](c1c....
333 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CC[C@H]1C[....
334 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
335 5HKM ic50 = 0.013 uM 61Y C16 H15 N7 CCc1cc(nc(....
336 3QD0 ic50 = 0.00000001 M 3Q4 C24 H26 N8 O C[C@@H]1CC....
337 3ORZ - BI4 C27 H26 N4 O2 C[N@]1CCC[....
338 5LVN Kd = 20 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
339 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
340 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
341 3OTU - BI4 C27 H26 N4 O2 C[N@]1CCC[....
342 3QCX ic50 = 0.00000001 M 3Q2 C16 H19 N7 O C[C@@H]1CO....
343 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
344 5LVL Kd = 1.25 uM 537 C14 H8 N2 O c1ccc2c(c1....
345 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
346 3QCY ic50 = 0.00000001 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
347 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
348 4CT1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
349 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1[....
350 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
351 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
352 4QNA ic50 = 0.023 uM X11 C9 H9 N5 O c1ccc(c(c1....
353 4QMO ic50 = 0.019 uM 34L C13 H8 N4 O S c1cc2c(c3c....
354 4QMW ic50 = 0.086 uM KS1 C17 H17 N7 c1c[nH]c2c....
355 3A7H - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
356 4QML - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
357 4QO9 ic50 = 0.16 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
358 4QMQ ic50 = 0.26 uM 34U C24 H27 N5 O2 COCCOc1ccc....
359 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
360 5D9L ic50 = 0.024 uM 583 C15 H12 N2 O2 c1cc(ccc1c....
361 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
362 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
363 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
364 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
365 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
366 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
367 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
368 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
369 3HZT - J60 C22 H27 Cl N4 O2 CCN(CC)CCN....
370 4FG8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
371 5L2S - 6ZV C27 H32 F2 N8 CCN1CCN(CC....
372 4AUA ic50 = 7.2 uM 4AU C12 H9 N3 O c1ccc2c(c1....
373 5K00 ic50 = 7.1 nM 6PV C32 H34 N6 O4 COc1cccc(c....
374 5MAG - 7KC C25 H30 N8 O S Cc1nc2ccsc....
375 5IHC ic50 = 0.013 uM 6BB C20 H21 F N4 O c1ccc(c(c1....
376 6BUU - GLY ARG PRO ARG THR THR ZXW PHE ALA GLU n/a n/a
377 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(C[C....
378 3CQU ic50 = 151 nM CQU C15 H13 N7 Cc1[nH]c(n....
379 2WEI ic50 = 3.4 nM VGG C17 H21 N5 Cc1cccc(c1....
380 3C0G - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
381 3MFR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
382 4OTI ic50 = 43 nM MI1 C16 H20 N6 O C[C@@H]1CC....
383 3OFM - 4B0 C9 H7 Br4 N3 O C(Cn1c2c(c....
384 5YF9 - NIO C6 H5 N O2 c1cc(cnc1)....
385 5ONI - 9YE C23 H25 N O3 CC(C)n1c2c....
386 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
387 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
388 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
389 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
390 6B16 Ki = 32 nM C7Y C19 H20 N8 C[C@@H](c1....
391 5DFP Ki = 22 nM 59U C28 H32 Cl N7 O CCN1c2c(cn....
392 3FXZ ic50 = 130 nM FLL C30 H18 Cl F N5 O4 Ru c1ccc(cc1)....
393 5IME Ki = 4.6 nM 6BZ C22 H22 Cl N7 O2 CC1=NC=CN(....
394 4ZY6 Ki = 5 nM 4T6 C18 H17 Cl N8 c1cc2c(c(c....
395 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
396 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
397 5JZJ - AN2 C10 H16 N6 O9 P2 c1nc(c2c(n....
398 5AX9 ic50 = 8 nM 4KT C24 H24 N4 O3 COc1ccc(cc....
399 2J7T - 274 C28 H30 Cl N5 O4 S Cc1c([nH]c....
400 4JQE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
401 4MWH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
402 4LFI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
403 3GGF - GVD C22 H19 N7 c1ccc2c(c1....
404 4U44 ic50 = 0.008 uM 3D9 C17 H13 N5 c1ccc(cc1)....
405 3DAK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
406 1QL6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
407 1PHK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
408 3M2W ic50 < 0.003 uM L8I C23 H21 F N4 O CN1CC2(C1)....
409 3BHY - 7CP C18 H18 Cl2 N4 O Cn1c2c(ccc....
410 2J90 - IZA C18 H16 F N3 O CC(C)(C)c1....
411 5VJA - DUK C14 H12 Cl N5 O2 S C[C@H](C(=....
412 5A6N ic50 = 2.1 uM U7E C7 H7 N5 O2 S c1cc(cc(c1....
413 6CMJ ic50 = 5 nM F6J C24 H22 N2 O2 CC(C)Cc1cc....
414 2VN9 - GVD C22 H19 N7 c1ccc2c(c1....
415 4EJN ic50 = 0.005 uM 0R4 C33 H26 F N7 O2 CC(=O)Nc1c....
416 4WNO ic50 = 160 nM 3RF C20 H19 N7 c1ccc2c(c1....
417 4WNP ic50 = 8 nM 3RJ C22 H20 N8 c1ccc2c(c1....
418 5CI7 ic50 = 120 nM 51W C18 H24 I N7 O c1cc(cc(c1....
419 2V7O - DRN C25 H23 N5 O2 S [H]/N=C(/N....
420 3AQV - TAK C24 H25 N5 O c1cc(ccc1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: F6J; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 F6J 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6CMJ; Ligand: F6J; Similar sites found with APoc: 479
This union binding pocket(no: 1) in the query (biounit: 6cmj.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 2WSB NAD None
2 2J8R MSL None
3 3HGM ATP None
4 2HW1 FRU 1.00671
5 2EWM NAD 1.20482
6 1EHI ADP 1.55763
7 2GQS C2R 1.68776
8 2GQS ADP 1.68776
9 2IF8 ADP 1.86916
10 4AVB CMP 1.86916
11 1GSA ADP 1.89873
12 3UDZ ADP 2.18069
13 4PZ6 GMP 2.18069
14 3ETH ATP 2.18069
15 6FL8 TIY 2.18069
16 6FL8 ADP 2.18069
17 4TVD BGC 2.18069
18 4Y3O OGA 2.18069
19 6AM8 TRP 2.18069
20 6EZ6 C5Z 2.18069
21 2F9W PAU 2.21402
22 1I7L ATP 2.26537
23 4ZS4 ATP 2.28013
24 1IOW ADP 2.28758
25 1IOW PHY 2.28758
26 1U7T TDT 2.29885
27 5IH1 GDP 2.31788
28 5IH1 6BQ 2.31788
29 5VLQ ANP 2.49221
30 2YRX AMP 2.49221
31 4PU5 ANP 2.49221
32 3PDT ADP 2.54545
33 4GLW 0XT 2.62295
34 4AF5 CIT 2.63158
35 3SHR CMP 2.67559
36 1QG6 NAD 2.68199
37 1QG6 TCL 2.68199
38 3PAK MAN 2.7027
39 4JGP PYR 2.76498
40 5VZ0 ADP 2.80374
41 2Q7D ANP 2.80374
42 2R7K AMZ 2.80374
43 2R7K ACP 2.80374
44 3OND NAD 2.80374
45 3OND ADN 2.80374
46 1OIJ AKG 2.99003
47 2QK4 ATP 3.11526
48 4UWH JXM 3.11526
49 1PK8 ATP 3.11526
50 1T36 ADP 3.11526
51 2CFM AMP 3.11526
52 4U98 ACP 3.11526
53 5T63 ALA ALA ALA ALA 3.11526
54 2VQD AP2 3.11526
55 3K5I ADP 3.11526
56 3K5I AIR 3.11526
57 2X1E X1E 3.11526
58 2QX0 PH2 3.14465
59 1OS7 AKG 3.18021
60 1AUX AGS 3.21543
61 2UV4 AMP 3.28947
62 6C1S EFV 3.42679
63 1CKN GTP 3.42679
64 4IP7 FLC 3.42679
65 1CKM GTP 3.42679
66 2Z48 A2G 3.42679
67 4FE2 ADP 3.52941
68 4NBU NAI 3.6
69 2HK9 SKM 3.63636
70 2PYW ADP 3.73832
71 3W0O ADP 3.73832
72 3W0O HY0 3.73832
73 4LH7 1X8 3.73832
74 3TY5 ATP 3.73832
75 3WO0 ALA 3.73832
76 3WO0 ADP 3.73832
77 3TY5 ADP 3.73832
78 5ABH YWN 3.73832
79 3TPV ADE 3.73832
80 1W2D ADP 3.77358
81 1W2D 4IP 3.77358
82 2AQX ATP 3.80623
83 4C5N ACP 3.98551
84 4C5N PXL 3.98551
85 1TZD ADP 4
86 5I35 ANP 4.04984
87 3I0O ADP 4.04984
88 3AKK ADP 4.04984
89 4NJH SAM 4.04984
90 4NJH 2K8 4.04984
91 6E8I PTR 4.14201
92 3MMH SME 4.19162
93 5ZCT ANP 4.24837
94 5OES ADP 4.36137
95 3HQP OXL 4.36137
96 2VPQ ANP 4.36137
97 1Z2P ACP 4.36137
98 1Z2P I3S 4.36137
99 2YW2 ATP 4.36137
100 3TTM PUT 4.36137
101 2V58 LZJ 4.36137
102 2HGS ADP 4.36137
103 3TTN SPD 4.36137
104 4Q5M ROC 4.4335
105 3ZJX BOG 4.49827
106 6CGD GNP 4.59016
107 6CGD AKN 4.59016
108 5AE9 OKO 4.6729
109 3KAL ADP 4.6729
110 5YJS SAL 4.6729
111 3HAV ATP 4.68227
112 4YKI GLY 4.6875
113 3A7R LAQ 4.74777
114 5X20 AOT 4.80769
115 4R78 AMP 4.85437
116 3TM0 ANP 4.94297
117 3TM0 B31 4.94297
118 5YK1 ANP 4.98442
119 1E4E ADP 4.98442
120 1ZX5 LFR 5
121 4CC6 L5Y 5.03145
122 5C1P ADP 5.22876
123 5C1P DAL DAL 5.22876
124 4O4F IHP 5.24194
125 4O4F ATP 5.24194
126 2GOO NDG 5.26316
127 5EQY 5RA 5.29595
128 3DNT ATP 5.29595
129 5OLK DTP 5.29595
130 1YVZ JPC 5.29595
131 1A99 PUT 5.29595
132 5IGI ZIT 5.31561
133 5IGI GMP 5.31561
134 3VPD ANP 5.33808
135 3PN1 IVH 5.34591
136 1IA9 ANP 5.35714
137 5C8W PCG 5.59441
138 4OCJ NDG 5.60748
139 4XZ3 ACP 5.65217
140 5MW8 ATP 5.919
141 5TDF ADP 5.919
142 3VSV XYS 5.919
143 3S43 478 6.06061
144 2XOC ADP 6.13027
145 3VOT ADP 6.23053
146 3V4S ATP 6.23053
147 3V4S ADP 6.23053
148 4OCV ANP 6.54206
149 4AZW ATP 6.54206
150 3WVR AMP 6.54206
151 2GK6 ADP 6.54206
152 3BP1 GUN 6.55172
153 6E2B PT7 6.57895
154 5YW5 ADE 6.70391
155 1FMB HYB 6.73077
156 2PYY GLU 6.85358
157 3VPB ADP 7.0922
158 3VPC ADP 7.0922
159 4LRJ ANP 7.10059
160 1TQP ATP 7.16511
161 4Y4V DAL 7.16511
162 6GR0 F8W 7.47126
163 6AC9 ANP 7.47664
164 5C4L 4XR 7.47664
165 5C4L SIS 7.47664
166 4KCT PYR 7.47664
167 4DFU QUE 7.47664
168 1TL2 NDG 7.62712
169 5T2U NAP 7.66129
170 6C90 ADP 7.69231
171 6CI9 NAP 7.72201
172 3TII ANP 7.78816
173 5LXT ACP 7.78816
174 1KJ8 ATP 7.78816
175 1KJ8 GAR 7.78816
176 3O5N BR0 8.03571
177 2P3C 3TL 8.08081
178 4O1P ANP 8.09969
179 1CBK ROI 8.125
180 3TDV GDP 8.16993
181 3OJF NDP 8.17121
182 4NZN ANP 8.18182
183 4NZN 2OU 8.18182
184 4Q5H ANP 8.33333
185 4IX4 ADP 8.41121
186 4GYI ADP 9.03427
187 2BMB PMM 9.03427
188 2PUL ACP 9.34579
189 2IO8 ADP 9.34579
190 3NB0 G6P 9.34579
191 5AEW BNL 9.57447
192 1M0W ANP 9.65732
193 2BKK ADP 10.0592
194 4NFE BEN 10.1266
195 4ZGP ADP 10.2389
196 4OUC 5ID 10.2804
197 6G34 5ID 10.2804
198 4I94 ANP 10.3333
199 4RDL FUC GAL NDG FUC 10.3896
200 5FS0 5JC 10.4265
201 5FI4 5XV 10.5919
202 1ZTH ADP 10.8527
203 1ZP9 ATP 10.8527
204 5DZT AMP 10.9034
205 5KBE IPH 10.917
206 1LNX URI 11.1111
207 5WS9 OXL 11.215
208 3RE4 TO1 11.2403
209 3KIF GDL 11.3208
210 5GZ9 ANP 11.8033
211 2IMG MLT 12.5828
212 5DMZ ADP 12.7726
213 5IM3 DTP 12.7726
214 4D42 NAP 12.7726
215 4D42 W0I 12.7726
216 3X01 AMP 12.9771
217 5CKW ANP 13.3956
218 4WOE 3S5 13.7072
219 4OKD GLC GLC GLC 14.0187
220 2P3B 3TL 14.1414
221 2RIF AMP 14.1844
222 4A4Z ANP 14.3302
223 1S68 AMP 14.4578
224 5N0L ILE 15.0943
225 4XH0 ADP 15.5763
226 4D1J DGJ 16.1994
227 2CSN CKI 16.835
228 4WW7 AMP 17.1123
229 1P6O HPY 17.3913
230 3ALN ANP 17.4455
231 3KRL KRL 19.0031
232 4WOV 3SM 19.2429
233 3VHE 42Q 19.3146
234 4ASE AV9 19.3146
235 4AG8 AXI 19.6203
236 4CYI ATP 19.6262
237 4OAV ACP 19.9377
238 5C03 AGS 19.9377
239 4YHQ G10 20.202
240 4XYM A12 20.4348
241 3Q60 ATP 20.8723
242 5USZ SKE 21.1073
243 6GQM F8H 21.4953
244 4U0I 0LI 22.2222
245 5MY8 RXZ 23.053
246 5QIN J2V 23.4177
247 4G17 0VN 24.2991
248 5NKB 8ZT 24.8366
249 4P5Z Q7M 24.9221
250 2QLU ADE 25.1592
251 4JR7 GNP 25.2336
252 6ES0 BW8 25.8675
253 3FHR P4O 27.1028
254 2Y6O 1N1 27.1478
255 5OMY 9YE 27.6215
256 6GZD LCI 27.7259
257 5WNL STU 28.0374
258 5K2M ADP 28.3019
259 2PZI AXX 28.972
260 4Y0X ADP 28.972
261 6BFN DL1 29.595
262 4KBA 1QM 29.9065
263 3H9R TAK 29.9065
264 5W4W 9WG 29.9065
265 5OKT 9XK 30.2548
266 4OH4 ANP 30.5296
267 5LPZ ADP 30.5296
268 4IDT T28 30.8411
269 5EOB 5QQ 31.6614
270 3LXN MI1 31.761
271 3PP0 03Q 31.7757
272 5AWM ANP 31.7757
273 5HES 032 31.9218
274 4Y93 746 32.0872
275 5MJA 7O3 32.1311
276 5VC5 96M 32.1799
277 3UIM ANP 32.3988
278 1JPA ANP 32.6923
279 4IJP 1EH 32.7103
280 4FL3 ANP 32.7103
281 4CLI 5P8 32.7103
282 4YZC STU 32.7103
283 1Q8Y ADP 33.0218
284 4CRL C1I 33.0218
285 5HCY 60D 33.0218
286 1Q8Y ADE 33.0218
287 5LPB ADP 33.1081
288 6GIN IR2 33.2226
289 5ZTN CUR 33.3333
290 4UX9 ANP 33.3333
291 4E93 GUI 33.3333
292 5Y86 HRM 33.3333
293 6A1G 9OL 33.3333
294 1OUK 084 33.3333
295 4LOO SB4 33.3333
296 5EKO N17 33.3333
297 4GJ3 0XP 33.4437
298 5T8O 76Z 33.5244
299 3GNI ATP 33.6449
300 1VJY 460 33.6634
301 5CEO 50D 33.6667
302 4EUU BX7 33.8558
303 4M69 ANP 33.8658
304 3PLS ANP 33.8926
305 5LI1 ANP 33.9564
306 1CM8 ANP 33.9564
307 5LI9 ACP 33.9564
308 2RIO ADP 33.9564
309 4PNI KQQ 33.9564
310 4L9I 8PR 33.9564
311 4IZY 1J2 34.2679
312 3LXK MI1 34.5794
313 4K33 ACP 34.5794
314 4E1Z 0MX 34.7079
315 1U59 STU 34.8432
316 4NST ADP 34.891
317 5DRB 5FJ 35.0515
318 3KMW ATP 35.0554
319 5WO4 B7V 35.0993
320 5EFQ ADP 35.2025
321 2X2M X2M 35.3503
322 5JKG 6LF 35.3698
323 3GQI ACP 35.514
324 4NFN 2KC 35.5987
325 5JFS 6K0 35.7143
326 5TO8 7FM 35.8156
327 2PVF ACP 35.8255
328 5VCV 1N1 36.0129
329 4BTK DTQ 36.1371
330 5DBX ANP 36.1371
331 3RI1 3RH 36.4217
332 4F9C 0SX 36.5651
333 5UR1 YY9 36.6559
334 1O9U ADZ 36.7601
335 5U6C 7YS 36.8254
336 6F3G CJN 36.9492
337 6C7Y ADP 37.0629
338 3F7Z 34O 37.0717
339 2JLD AG1 37.0717
340 4Y8D 49J 37.0717
341 3ZRM ZRM 37.0717
342 4NM5 ADP 37.0717
343 4FF8 14S 37.3832
344 4Y85 499 37.6947
345 3SRV S19 37.9061
346 6E2O S0L 37.9661
347 5Y80 IRE 38.0192
348 5KO1 6UY 38.1625
349 4DC2 ADE 38.3178
350 3C1X CKK 38.3178
351 4F4P 0SB 38.4615
352 4AT3 LTI 38.4615
353 1OPK P16 38.6293
354 5UIU 8CG 38.6293
355 2XVD AS6 38.7417
356 6GWR FEW 39.0476
357 5HQ0 LZ9 39.0728
358 6GU6 1QK 39.0728
359 5FBN 5WF 39.1144
360 1BYG STU 39.2086
361 4BHN BH9 39.2523
362 3VRY B43 39.2523
363 4G31 0WH 39.4649
364 2R5T ANP 39.5639
365 1V0O INR 39.5833
366 6BXI ANP 39.6396
367 5TA6 79D 39.8754
368 3FC2 IBI 39.8754
369 4X7Q 3YR 40.0641
370 3TXO 07U 40.1869
371 2H8H H8H 40.4984
372 1Y57 MPZ 40.4984
373 4RFM 3P6 40.6015
374 5HVJ ANP 40.6349
375 3SXS PP2 40.6716
376 3E8N VRA 40.7625
377 3E8N ATP 40.7625
378 4N70 2HX 40.81
379 6FYV 3NG 40.81
380 5X8I SQZ 40.81
381 6G33 5ID 40.81
382 5JGA 6KC 40.9524
383 2OO8 RAJ 41.0095
384 3CY2 MB9 41.0828
385 2OFV 242 41.1552
386 2WQN ADP 41.2903
387 5UPK ANP 41.433
388 3GC0 AMP 41.6413
389 4UAL 3FV 41.7445
390 6C0T EE4 41.7445
391 1U5R ATP 41.7445
392 3PVW QRX 41.7445
393 5UKL SIX 41.7445
394 3ORK AGS 41.8006
395 4WNK 453 42.0561
396 2JDR L20 42.0561
397 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 42.0561
398 4UXL 5P8 42.236
399 3NW7 LGV 42.3676
400 1K3A ACP 42.3676
401 4YMJ 4EJ 42.4342
402 3EKK GS2 42.671
403 3MVH WFE 42.6791
404 3BU5 ATP 42.8105
405 2A19 ANP 42.9577
406 4OTH DRN 42.9907
407 3RWP ABQ 43.0868
408 5LVP ATP 43.0868
409 1IR3 ANP 43.1373
410 4NW6 2NS 43.3022
411 3GC8 B45 43.3022
412 5H2U 1N1 43.4457
413 2WU6 DKI 43.6137
414 6FYL 3NG 43.6137
415 4L3L 5FI 43.75
416 1ZY5 ANP 43.8944
417 3TKI S25 43.9252
418 4WB6 ATP 43.9252
419 4WB7 ATP 43.9252
420 2HY0 306 43.9252
421 6CZ3 FLJ 43.9394
422 3PTG 932 44.2368
423 4WHZ 3NL 44.2368
424 4CQE CQE 44.2446
425 4EWH T77 44.3636
426 6CQF F97 44.4444
427 2QCS ANP 44.5483
428 3E7O 35F 44.5483
429 5M06 ADP 44.5652
430 3SLS ANP 44.7368
431 4QMN DB8 44.8387
432 3DLS ADP 44.8598
433 2B9H ADP 44.8598
434 2B9I ADP 44.8598
435 2B9J ADP 44.8598
436 3IDB ANP 44.8598
437 2B9F ADP 44.8598
438 3FHI ANP 44.8598
439 4H3P ANP 44.8598
440 4H3Q ANP 44.8598
441 1RE8 BD2 44.8598
442 2GU8 796 44.8598
443 4XV1 904 44.863
444 5IH9 6BF 45.1713
445 3HMO STU 45.1713
446 4QTB 38Z 45.1713
447 5BVE 4VG 45.1713
448 3O0G 3O0 45.2055
449 1UNH IXM 45.2055
450 3BZ3 YAM 45.6522
451 4TWP AXI 45.7565
452 1XJD STU 45.7944
453 2YAB AMP 45.7944
454 4BFM ANP 45.7944
455 4YZN 4K5 45.993
456 5DH3 5BS 46.0317
457 4I6H 1C8 46.1039
458 4A4X JUP 46.2366
459 3KN5 ANP 46.4174
460 4CSV STI 46.5455
461 2HK5 1BM 46.6667
462 2F57 23D 46.6877
463 3G5D 1N1 46.8531
464 4USF 6UI 47.0395
465 2BPM 529 47.2492
466 3TTI KBI 47.352
467 4CFU 2WC 48.1848
468 6GUE FB8 48.3444
469 4C2V YJA 48.4211
470 4BCM T7Z 48.505
471 4BCQ TJF 48.505
472 2XMY CDK 48.6577
473 4BCN T9N 48.6667
474 2F2U M77 48.9097
475 5LMK 6ZK 49.1582
476 5DEY 59T 49.1582
477 4C2W ANP 49.4624
478 5N87 N66 49.8403
479 3V8S 0HD 49.8442
480 5EYK 5U5 50
Pocket No.: 2; Query (leader) PDB : 6CMJ; Ligand: F6J; Similar sites found with APoc: 28
This union binding pocket(no: 2) in the query (biounit: 6cmj.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZZO FLC 1.49254
2 3CL7 HYN 2.18069
3 4Y9J UCC 2.80374
4 6EL3 NAP 3.42679
5 3LQV ADE 3.47826
6 4FE2 AIR 3.52941
7 5WBF LAC 3.7037
8 1ZBQ NAD 3.73832
9 4OHU 2TK 4.49827
10 4OHU NAD 4.49827
11 5HSA FAS 4.6729
12 3OIG NAD 4.88722
13 1FFU FAD 4.90798
14 2E5A LAQ 5.60748
15 1S9D AFB 6.70732
16 3VPB GLU 7.0922
17 1KHT AMP 7.29167
18 2BOS GLA GAL GLC 7.35294
19 4CCK OGA 8.09969
20 2CJU PHX 8.26446
21 3NZ1 3NY 8.81226
22 6MJ7 ARG 9.09091
23 2JDU MFU 9.56522
24 4P7U 1PS 9.82143
25 4MZU TYD 10.2564
26 1XVB BHL BHL 10.5882
27 3UKR CKH 14.881
28 2XRH NIO 20
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