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Receptor
PDB id Resolution Class Description Source Keywords
4ONA 2.4 Å EC: 2.7.11.17 CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM TOXOPLASMA GONDII (T COMPLEX WITH INHIBITOR UW1517 TOXOPLASMA GONDII SERINE/THREONINE PROTEIN KINASE TRANSFERASE CALCIUM-BINDINBINDING BUMPED KINASE INHIBITOR TRANSFERASE-TRANSFERASE ICOMPLEX
Ref.: POTENT AND SELECTIVE INHIBITORS OF CDPK1 FROM T. GO C. PARVUM BASED ON A 5-AMINOPYRAZOLE-4-CARBOXAMIDE ACS MED CHEM LETT V. 5 40 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
UW1 A:601;
Valid;
none;
ic50 = 0.002 uM
353.418 C19 H23 N5 O2 CCOc1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ONA 2.4 Å EC: 2.7.11.17 CALCIUM-DEPENDENT PROTEIN KINASE 1 FROM TOXOPLASMA GONDII (T COMPLEX WITH INHIBITOR UW1517 TOXOPLASMA GONDII SERINE/THREONINE PROTEIN KINASE TRANSFERASE CALCIUM-BINDINBINDING BUMPED KINASE INHIBITOR TRANSFERASE-TRANSFERASE ICOMPLEX
Ref.: POTENT AND SELECTIVE INHIBITORS OF CDPK1 FROM T. GO C. PARVUM BASED ON A 5-AMINOPYRAZOLE-4-CARBOXAMIDE ACS MED CHEM LETT V. 5 40 2014
Members (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 4ONA ic50 = 0.002 uM UW1 C19 H23 N5 O2 CCOc1ccc2c....
2 4JBV ic50 = 0.003 uM V68 C26 H32 N6 O CC(C)COc1c....
3 3NYV - DTQ C16 H15 N3 O3 COc1cc2c(c....
4 3T3U Ki = 0.0025 uM BK6 C22 H24 N6 O COc1ccc2cc....
5 3KU2 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 4M84 ic50 = 0.049 uM 21E C17 H19 N5 O CC(C)(C)n1....
7 3HX4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
8 3UPX Ki = 0.0075 uM B6A C20 H22 N4 O c1ccc(cc1)....
9 3SXF Ki = 0.0025 uM BK5 C20 H21 N5 O CCOc1ccc2c....
10 3T3V Ki = 0.003 uM BK4 C19 H19 N5 O CC(C)n1c2c....
11 3I7B ic50 = 0.066 uM BK1 C19 H19 N5 CC(C)n1c2c....
12 3V5P Ki = 0.011 uM C88 C19 H24 N6 O Cc1cc(ccc1....
13 3V51 - I76 C25 H22 Cl N5 O CC(C)n1c2c....
14 3UPZ - B5A C11 H16 N6 c1c2c(ncnc....
15 3I7C ic50 = 0.018 uM BK2 C19 H19 N5 CC(C)(C)n1....
16 3V5T - UW9 C24 H30 N6 O CCOc1ccc2c....
17 3N51 - BK3 C22 H24 N6 c1ccc2c(c1....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 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 4ONA ic50 = 0.002 uM UW1 C19 H23 N5 O2 CCOc1ccc2c....
5 4JBV ic50 = 0.003 uM V68 C26 H32 N6 O CC(C)COc1c....
6 3NYV - DTQ C16 H15 N3 O3 COc1cc2c(c....
7 3T3U Ki = 0.0025 uM BK6 C22 H24 N6 O COc1ccc2cc....
8 3KU2 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
9 4M84 ic50 = 0.049 uM 21E C17 H19 N5 O CC(C)(C)n1....
10 3HX4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
11 3UPX Ki = 0.0075 uM B6A C20 H22 N4 O c1ccc(cc1)....
12 3SXF Ki = 0.0025 uM BK5 C20 H21 N5 O CCOc1ccc2c....
13 3T3V Ki = 0.003 uM BK4 C19 H19 N5 O CC(C)n1c2c....
14 3I7B ic50 = 0.066 uM BK1 C19 H19 N5 CC(C)n1c2c....
15 3V5P Ki = 0.011 uM C88 C19 H24 N6 O Cc1cc(ccc1....
16 3V51 - I76 C25 H22 Cl N5 O CC(C)n1c2c....
17 3UPZ - B5A C11 H16 N6 c1c2c(ncnc....
18 3I7C ic50 = 0.018 uM BK2 C19 H19 N5 CC(C)(C)n1....
19 3V5T - UW9 C24 H30 N6 O CCOc1ccc2c....
20 3N51 - BK3 C22 H24 N6 c1ccc2c(c1....
21 3HZT - J60 C22 H27 Cl N4 O2 CCN(CC)CCN....
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: UW1; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 UW1 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ONA; Ligand: UW1; Similar sites found with APoc: 687
This union binding pocket(no: 1) in the query (biounit: 4ona.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3NGU ADP None
2 3ZW2 NAG GAL FUC None
3 5L2R MLA 1.23967
4 5JU6 BGC 1.23967
5 2GWH PCI 1.34228
6 5FUS DAO 1.39373
7 3ITA AIC 1.42045
8 1G51 AMP 1.44628
9 4O8A 2OP 1.44628
10 5FLJ QUE 1.6129
11 2Z49 AMG 1.62037
12 3FXU TSU 1.63934
13 4UWH JXM 1.65289
14 4A59 AMP 1.65289
15 2GVJ DGB 1.65289
16 3ACL 3F1 1.68919
17 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.70068
18 2BO4 FLC 1.76322
19 5GS9 ARG 1.78042
20 2V58 LZJ 1.78174
21 1RYO OXL 1.83486
22 6C1S EFV 1.8595
23 3G5N PB2 1.89076
24 2B56 U5P 1.92308
25 3ETH ATP 1.97183
26 4U98 ACP 1.98238
27 2PUL ACP 2.01511
28 6B74 BEN 2.05761
29 5FPN KYD 2.06612
30 2IO8 ADP 2.06612
31 5DXT 5H5 2.06612
32 5XLS URA 2.06897
33 5C9P FUC 2.09974
34 1VMK GUN 2.16606
35 5VM6 9EG 2.18978
36 4JZ8 CIT 2.2082
37 2OG2 MLI 2.22841
38 1BC5 ACE ASN TRP GLU THR PHE 2.23048
39 2XSB GDL 2.23714
40 1BW9 PPY 2.24719
41 1BXG HCI 2.24719
42 1C1X HFA 2.25352
43 5NM7 GLY 2.25564
44 3OV6 MK0 2.267
45 3UDZ ADP 2.27273
46 4RF7 ARG 2.27273
47 5OSW DIU 2.27273
48 5VLQ ANP 2.27273
49 1GQG DCD 2.28571
50 1OFL NGK GCD 2.2869
51 5W75 SUC 2.29592
52 5HV0 AKG 2.30415
53 1E4E ADP 2.33236
54 6FL8 TIY 2.34043
55 6FL8 ADP 2.34043
56 5DYO FLU 2.35849
57 6B5K TYD 2.36486
58 1IXE COA 2.38727
59 1I0B PEL 2.40964
60 6EZ6 C5Z 2.47934
61 4B0T ADP 2.47934
62 2CHN NGT 2.47934
63 5AE9 OKO 2.47934
64 3K5I ADP 2.48139
65 3VV1 GAL FUC 2.5
66 1SBR VIB 2.5
67 3KYQ DPV 2.51256
68 3PN1 IVH 2.51572
69 2CE7 ADP 2.52101
70 3CBC DBS 2.52525
71 5W6Y TRP 2.53165
72 6AR9 3L4 2.57353
73 5C1P ADP 2.61438
74 1VRP ADP 2.62467
75 3B6R ADP 2.62467
76 2PYY GLU 2.63158
77 6D3U 83Y BDP 83Y GCD 2.64026
78 2QK4 ATP 2.65487
79 5HCN DAO 2.68199
80 2CFM AMP 2.68595
81 3JU6 ANP 2.7027
82 6A0S NDP 2.71084
83 2G30 ALA ALA PHE 2.71318
84 5HV7 RBL 2.75229
85 5MW8 ATP 2.76008
86 2VDF OCT 2.7668
87 5FI4 5XV 2.78638
88 4BG4 ADP 2.80899
89 2PNZ 5GP 2.81124
90 3VOT ADP 2.82353
91 4BQS K2Q 2.84091
92 5D9G GLU ASN LEU TYR PHE GLN 2.84553
93 1M0W ANP 2.89256
94 2GK6 ADP 2.89256
95 4R81 FMN 2.91262
96 1EHI ADP 2.91777
97 2GQS C2R 2.95359
98 2GQS ADP 2.95359
99 2HGS ADP 2.95359
100 1TL2 NDG 2.9661
101 3JQ3 ADP 3.00546
102 2P7Q GG6 3.00752
103 2IF8 ADP 3.0303
104 3ESS 18N 3.04348
105 2QZ4 ADP 3.05344
106 3NZ1 3NY 3.06513
107 3KYG 5GP 5GP 3.0837
108 1LCF OXL 3.09917
109 3HQP OXL 3.09917
110 3P7N FMN 3.10078
111 4RD0 GDP 3.13253
112 1I3U RR1 3.14961
113 3W0O HY0 3.15186
114 3W0O ADP 3.15186
115 1SDW IYT 3.18471
116 5VJN IR8 3.20856
117 1IA9 ANP 3.21429
118 5EO8 TFU 3.21543
119 3O01 DXC 3.24675
120 4MJ0 SIA SIA 3.27273
121 3F81 STT 3.27869
122 5N26 CPT 3.2967
123 4WOE ADP 3.30579
124 6A5K SAM 3.30579
125 3W5N RAM 3.30579
126 1S8G DAO 3.30579
127 4IJ6 SEP 3.31754
128 2PYW ADP 3.33333
129 5VNB ALA THR ALY ALA ALA ARG ALY SER ALA PRO 3.37838
130 2DC1 CIT 3.38983
131 2Q8E OGA 3.40909
132 2P5B OGA 3.40909
133 5J75 6GQ 3.40909
134 3THR C2F 3.41297
135 4WGF HX2 3.41463
136 3BP1 GUN 3.44828
137 3ORQ ADP 3.44828
138 2R09 4IP 3.45821
139 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 3.47826
140 5I3B HQE 3.48432
141 1RV1 IMZ 3.52941
142 4W9N TCL 3.53982
143 2HJ9 AI2 3.53982
144 3QPB URA 3.5461
145 2YRX AMP 3.54767
146 1RTW MP5 3.63636
147 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 3.65297
148 2AGC DAO 3.7037
149 1CBK ROI 3.75
150 2PR5 FMN 3.78788
151 1PK8 ATP 3.79147
152 2G3F IZC 3.80048
153 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 3.80952
154 2PFC PLM 3.82514
155 5YJS SAL 3.84615
156 2YMZ LAT 3.84615
157 6ACS CIT 3.87597
158 4BVA NDP 3.8806
159 4CYI ATP 3.88128
160 3KVY URA 3.8835
161 5LX9 OLB 3.90879
162 2NV2 GLN 3.92157
163 4MRP GSH 3.92562
164 4ARE FLC 3.92562
165 4LIT AKG 3.9312
166 2Z3U CRR 4
167 2CFC KPC 4
168 1MJT ITU 4.03458
169 4DFU QUE 4.03727
170 1FQK ALF 4.08163
171 5KR7 6X9 4.08719
172 3T2W BTN 4.09836
173 1XVB BHL 4.11311
174 5CQG 55C 4.13223
175 5KK4 44E 4.16667
176 5A7Y SAH 4.16667
177 3K0T BGC 4.1958
178 1I7L ATP 4.20712
179 2WBV SIA 4.2328
180 3OJI PYV 4.2328
181 4ZS4 ATP 4.23453
182 5EQY 5RA 4.2394
183 2E0N SAH 4.2471
184 3WVR AMP 4.25056
185 2GC0 PAN 4.25532
186 4P25 FUC GAL NAG FUC 4.30464
187 3OCP CMP 4.31655
188 6GG9 FMN 4.32099
189 3X01 AMP 4.3257
190 3M3E GAL A2G NPO 4.34783
191 4XZ3 ACP 4.34783
192 4JH6 FCN 4.34783
193 4ARU TLA 4.35835
194 5WXU FLC 4.38413
195 2Q8Z NUP 4.38596
196 3JQM GTP 4.4586
197 5I8T LAC 4.46927
198 3ZJX BOG 4.49827
199 2WKQ FMN 4.51807
200 3QH2 3NM 4.52489
201 2CYC TYR 4.53333
202 4OAV ACP 4.54545
203 1QMG DMV 4.54545
204 2BMB PMM 4.54545
205 1UYY BGC BGC 4.58015
206 5XNC N4P 4.58221
207 5TV6 PML 4.58333
208 2XG5 EC5 4.58716
209 2XG5 EC2 4.58716
210 4RW3 TDA 4.63576
211 1ULE GLA GAL NAG 4.66667
212 2W5P CL8 4.69799
213 3PDT ADP 4.72727
214 1TZD ADP 4.72727
215 1J3R 6PG 4.73684
216 2WR1 NAG 4.75207
217 2QHV OC9 4.7619
218 3QXV MTX 4.7619
219 5YBL AKG 4.77707
220 4XYM A12 4.78261
221 2PZE ATP 4.80349
222 4AVB CMP 4.8048
223 4K55 H6P 4.83871
224 2AQX ATP 4.84429
225 5EPQ OLA 4.87805
226 2E5A LAQ 4.89914
227 1W2D ADP 4.90566
228 3QSB 743 4.91803
229 2YW2 ATP 4.95283
230 4O1P ANP 4.95868
231 1XL8 152 4.95868
232 2OS2 OGA 4.98688
233 2YBP 2HG 4.98688
234 1V9A SAH 5.02092
235 2QX0 PH2 5.03145
236 5XNA SHV 5.07246
237 3OPT AKG 5.09383
238 5NFB 8VT 5.11364
239 1AUX AGS 5.14469
240 4RYV ZEA 5.16129
241 1CT9 AMP 5.16529
242 5JCJ 6JM 5.20833
243 3R9C ECL 5.26316
244 6BYF CIT 5.29412
245 5YK1 ANP 5.30973
246 4URS C2E 5.31915
247 4INI AMP 5.38462
248 4URX FK1 5.40541
249 2UYN 2KT 5.42636
250 4WUJ FMN 5.44218
251 1CKN GTP 5.45455
252 1CKM GTP 5.45455
253 6GBV FMN 5.47945
254 4R78 AMP 5.50162
255 5ZCT ANP 5.55556
256 3KFF XBT 5.55556
257 3KFF ZBT 5.55556
258 2VQD AP2 5.60345
259 1HXD BTN 5.60748
260 5G48 1FL 5.61497
261 1HBK MYR 5.61798
262 2YKL NLD 5.66038
263 4CC6 L5Y 5.66038
264 6F5W KG1 5.69106
265 5H9P TD2 5.6962
266 4GCZ FMN 5.71429
267 1I1E DM2 5.78512
268 5DZT AMP 5.78512
269 5MRH Q9Z 5.78512
270 3TII ANP 5.78947
271 4R5M NAP 5.85106
272 1NY5 ADP 5.94315
273 3T1A 5MA 5.99174
274 1VJE MSE 6.0241
275 1INN MET 6.0241
276 4WOH 4NP 6.0241
277 5FIT AP2 6.12245
278 5HWV MBN 6.15385
279 1GPM AMP 6.19835
280 2RHQ GAX 6.19835
281 5DNK SAH 6.19835
282 3TDV GDP 6.20915
283 2F62 12M 6.21118
284 2CDO GAL AAL GAL AAL GAL AAL 6.25
285 1A5Z FBP 6.26959
286 3UDG TMP 6.31229
287 1QY1 PRZ 6.32184
288 2IZ1 ATR 6.32911
289 6EWZ APC 6.32911
290 4OCJ NDG 6.33245
291 1FDJ 2FP 6.33609
292 1QKQ MAN 6.33803
293 2ZMF CMP 6.34921
294 2F59 INI 6.36943
295 1N9L FMN 6.42202
296 4R38 RBF 6.42857
297 3K8D CTP 6.43939
298 4ZGP ADP 6.48464
299 4USI AKG 6.49351
300 5ODY 9SK 6.52174
301 5KJW 53C 6.55738
302 4OCV ANP 6.59631
303 5OES ADP 6.62526
304 1GSA ADP 6.64557
305 4NVP 7CH 6.69856
306 1M26 GAL A2G 6.76692
307 4HIA FMN 6.81818
308 5XH2 NPO 6.87023
309 4MTI 2DX 6.95652
310 1T0S BML 6.97674
311 3HAV ATP 7.02341
312 4GYI ADP 7.0529
313 3RGA LSB 7.06714
314 4Y24 TD2 7.14286
315 6CZI 38E 7.14286
316 3RMK BML 7.18954
317 5SVV FMN 7.29927
318 3TAY MN0 7.36196
319 6GNO XDI 7.40741
320 2P3V SRT 7.42188
321 3VPC ADP 7.44681
322 6DZN AE3 7.52212
323 3KIF GDL 7.54717
324 1H0A I3P 7.59494
325 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 7.86885
326 3A76 SPD 7.95455
327 2RDE C2E 7.96813
328 5EJL C2E 8.06452
329 1Y7P RIP 8.07175
330 4RDL FUC GAL NDG FUC 8.11688
331 1LNM DTX 8.15217
332 3CBG FER 8.18966
333 5N2I NAP 8.18966
334 5BVB DOG 8.33333
335 3WV6 GAL GLC 8.44595
336 4CS9 AMP 8.46561
337 3I0O ADP 8.55457
338 4IEN GDP 8.58896
339 2CHT TSA 8.66142
340 5W10 CMP 8.71795
341 1GT4 UNA 8.80503
342 4IX4 ADP 8.85714
343 2VPQ ANP 8.8843
344 3T4L ZEA 8.88889
345 4FE2 AIR 9.01961
346 4FE2 ADP 9.01961
347 1XZ3 ICF 9.1954
348 6FA4 D1W 9.24856
349 3SAO DBH 9.375
350 5X80 SAL 9.375
351 1ONI BEZ 9.42029
352 5OCG 9R5 9.52381
353 5Y4R C2E 9.52381
354 4EES FMN 9.56522
355 1OGZ EQU 9.6
356 2D0O ADP 9.6
357 4LUT DCS 9.61039
358 5ZAI COA 9.65251
359 3Q60 ATP 9.7035
360 5VZ0 ADP 9.71074
361 5KEW 6SB 9.72222
362 4PL9 ADP 9.83607
363 3RET SAL 9.90099
364 3RET PYR 9.90099
365 5XLY C2E 9.96441
366 5CKW ANP 9.97783
367 5BWD FUM 10
368 5OLK DTP 10
369 3N1S 5GP 10.084
370 4LO2 GAL BGC 10.1351
371 5VNF VAL THR SER VAL VAL 10.1911
372 1C1L GAL BGC 10.219
373 2V0U FMN 10.274
374 5EFW FMN 10.3448
375 5DJU FMN 10.3448
376 5DG2 GAL GLC 10.3704
377 1F9V ADP 10.3746
378 1I7M CG 10.4478
379 4MOB ADP 10.5422
380 43CA NPO 10.6195
381 5F7J ADE 10.625
382 2BKK ADP 10.6509
383 2E1A MSE 10.6667
384 2BQP GLC 10.6838
385 3VPB ADP 10.7143
386 2GOO NDG 10.7843
387 6EK3 OUL 10.8597
388 2D5X L35 10.9589
389 5M8T 0TR 10.9865
390 5DKK FMN 11.0345
391 5CIC 51R 11.1111
392 5VX9 FUC GAL NAG GAL BGC 11.1801
393 5C1M OLC 11.2
394 3WG3 A2G GAL NAG FUC 11.236
395 3AB4 LYS 11.236
396 3KYF 5GP 5GP 11.2554
397 5LE1 6UW 11.2782
398 4H6B 10X 11.2821
399 4CU1 H4B 11.2867
400 4CU1 71S 11.2867
401 5F6U 5VK 11.465
402 3H0L ADP 11.7021
403 4NAE 1GP 12
404 3AKK ADP 12.3077
405 1WW5 SGA BGC 12.5
406 4OUC 5ID 12.605
407 6G34 5ID 12.605
408 2E27 AB0 12.6984
409 4LRJ ANP 13.0178
410 2CBO TH2 13.0435
411 5L8N 6RQ 13.2812
412 4AZW ATP 13.3758
413 4YEF 4CQ 13.4831
414 1IIU RTL 13.7931
415 3O5X JZG 14.1304
416 3VHE 42Q 14.2061
417 4I94 ANP 14.6667
418 4NOS ITU 14.7541
419 5TVF CGQ 15.0877
420 4RT1 C2E 15.1786
421 4O9S 2RY 15.3488
422 2TPI ILE VAL 15.5172
423 3VPD ANP 15.6584
424 3TD3 GLY 16.2602
425 1GYY FHC 17.1053
426 3IWD M2T 17.7419
427 1ZTH ADP 18.2171
428 1ZP9 ATP 18.2171
429 5I35 ANP 18.8295
430 3RE4 TO1 20.155
431 3GD8 GOL 20.1794
432 5K2M ADP 20.7547
433 4Y93 746 20.852
434 4FL3 ANP 21.9008
435 5UKL SIX 22.1074
436 3PVW QRX 22.1074
437 6AC9 ANP 22.1622
438 4O4F ATP 22.1774
439 1TQP ATP 22.3404
440 4Q5H ANP 22.4138
441 5ZCO CHD 22.9358
442 3O5N BR0 23.2143
443 4XH0 ADP 23.8213
444 4BTK DTQ 24.0356
445 1OPK P16 24.7934
446 5GZ9 ANP 24.918
447 4JR7 GNP 25.1337
448 5C03 AGS 25.4386
449 5DMZ ADP 25.7534
450 4NFN 2KC 26.2136
451 4Y0X ADP 26.4
452 3VRY B43 26.4317
453 4WW7 AMP 26.8199
454 4WOV 3SM 27.4448
455 5ZTN CUR 27.5058
456 4DC2 ADE 27.5253
457 4CRL C1I 27.5862
458 3C1X CKK 27.6139
459 2H8H H8H 27.686
460 4WNK 453 27.8926
461 6GZD LCI 28.0749
462 4PNI KQQ 28.3058
463 4L9I 8PR 28.3058
464 3KP6 SAL 28.4768
465 6BFN DL1 28.9474
466 4G17 0VN 29.0909
467 4ASE AV9 29.1785
468 1Q8Y ADP 29.4906
469 1Q8Y ADE 29.4906
470 1Y57 MPZ 29.646
471 3H9R TAK 29.697
472 3KRL KRL 29.8507
473 3E8N ATP 30.2053
474 3E8N VRA 30.2053
475 5LPZ ADP 30.4217
476 5U6C 7YS 30.4762
477 4OH4 ANP 30.6306
478 4E93 GUI 30.7692
479 5LI1 ANP 30.791
480 5EOB 5QQ 31.0345
481 5LI9 ACP 31.1429
482 6GIN IR2 31.2292
483 3KMW ATP 31.3653
484 3LXN MI1 31.4465
485 5WNL STU 31.5789
486 4UAL 3FV 31.9809
487 6GWR FEW 32.0635
488 3V8S 0HD 32.1951
489 6GQM F8H 32.3171
490 1UO5 PIH 32.3529
491 1UO4 PIH 32.3529
492 4IJP 1EH 32.4022
493 2RIO ADP 32.4885
494 3PP0 03Q 32.5444
495 5HES 032 32.5733
496 4YZC STU 32.5926
497 4AG8 AXI 32.5949
498 4U0I 0LI 32.6984
499 5QIN J2V 32.9114
500 4GJ3 0XP 33.1126
501 2X2M X2M 33.121
502 3TTI KBI 33.1897
503 5HCY 60D 33.2326
504 5W4W 9WG 33.2326
505 4KBA 1QM 33.2326
506 4P5Z Q7M 33.241
507 4CLI 5P8 33.3333
508 3UIM ANP 33.4356
509 5T8O 76Z 33.5244
510 4UXL 5P8 33.5404
511 2F2U M77 33.5821
512 3HMO STU 33.6257
513 3GNI ATP 33.6761
514 4IDT T28 33.9888
515 2Z6C FMN 34.1085
516 5LPB ADP 34.1216
517 5HVJ ANP 34.2857
518 2XVD AS6 34.4371
519 6ES0 BW8 34.7003
520 5Y86 HRM 34.9174
521 1VJY 460 34.9835
522 6A1G 9OL 35
523 5OKT 9XK 35.0318
524 3ORK AGS 35.0482
525 4E1Z 0MX 35.0515
526 4WB7 ATP 35.0617
527 4K33 ACP 35.0769
528 3LXK MI1 35.1682
529 2PVF ACP 35.3293
530 2PZI AXX 35.3306
531 5MJA 7O3 35.7377
532 2JLD AG1 35.9524
533 1JPA ANP 36.2179
534 5NKB 8ZT 36.2745
535 4ITH RCM 36.3946
536 5N87 N66 36.4217
537 4EWH T77 36.7273
538 2R5T ANP 36.7292
539 4M69 ANP 36.7491
540 5AWM ANP 36.802
541 2A19 ANP 36.9718
542 4EUU BX7 36.9906
543 4H3P ANP 37.0166
544 4F9C 0SX 37.1191
545 5FBN 5WF 37.2694
546 4H3Q ANP 37.2928
547 4Y85 499 37.3494
548 1U5R