Receptor
PDB id Resolution Class Description Source Keywords
2B9F 1.8 Å EC: 2.7.1.37 CRYSTAL STRUCTURE OF NON-PHOSPHORYLATED FUS3 SACCHAROMYCES CEREVISIAE TRANSFERASE
Ref.: THE ROLE OF DOCKING INTERACTIONS IN MEDIATING SIGNALING INPUT, OUTPUT, AND DISCRIMINATION IN THE YEAST MAPK NETWORK. MOL.CELL V. 20 951 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:500;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:600;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2B9F 1.8 Å EC: 2.7.1.37 CRYSTAL STRUCTURE OF NON-PHOSPHORYLATED FUS3 SACCHAROMYCES CEREVISIAE TRANSFERASE
Ref.: THE ROLE OF DOCKING INTERACTIONS IN MEDIATING SIGNALING INPUT, OUTPUT, AND DISCRIMINATION IN THE YEAST MAPK NETWORK. MOL.CELL V. 20 951 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2F9G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2B9F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2F9G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2B9F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (257)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3GCV Kd = 74 nM SS6 C29 H30 N8 O Cc1cccc(c1....
2 3L8S Kd = 99 nM BFF C20 H24 Br F2 N5 O3 S c1c(cc(c(c....
3 3RIN ic50 = 1.3 nM I2O C23 H24 N2 O2 Cc1ccc(cc1....
4 5N65 - 8OT C20 H18 N4 S c1ccc(cc1)....
5 4FA2 - SB0 C20 H21 F N4 O2 COc1nccc(n....
6 2GHM - LIC C24 H28 Cl N5 O3 C[C@@H](C(....
7 1W84 ic50 = 35 uM L12 C15 H14 N2 c1ccc2c(c1....
8 4EH5 - IRG C17 H16 N4 c1ccc(cc1)....
9 2BAK Kd = 37 nM AQZ C32 H37 N7 O4 Cc1ccc(cc1....
10 3HV6 ic50 = 5500 nM R39 C27 H35 N5 O3 Cc1ccc(cc1....
11 3HP2 - P36 C19 H16 Br N O2 c1ccc(cc1)....
12 1WBO ic50 = 1 mM 2CH C6 H5 Cl O c1ccc(c(c1....
13 4KIQ ic50 = 23 nM 1RA C23 H23 N3 O4 CCOC(=O)n1....
14 3GC7 ic50 = 0.4 nM B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
15 4EH6 - IRG C17 H16 N4 c1ccc(cc1)....
16 5MTX Kd = 17.7 nM FJI C34 H31 F N4 O5 c1ccc(cc1)....
17 2ZB0 Ki = 0.24 uM GK3 C24 H18 N4 O2 Cc1ccc(cc1....
18 2GTM ic50 = 542 nM LID C19 H15 Cl F2 N6 CCn1c2c(cn....
19 5N66 - B96 C31 H37 N5 O3 Cc1ccc(cc1....
20 2YIX Kd = 3.3 nM YIX C19 H23 N5 O S CCNC(=O)NC....
21 3OCG ic50 = 3 nM OCG C21 H18 N6 O3 Cc1ccc(cc1....
22 1BL7 - SB4 C18 H19 F N6 c1cc(ccc1c....
23 3P7C ic50 = 0.022 uM P7C C25 H33 Cl2 N5 O3 S CC(C)(C)c1....
24 5TBE Kd = 4.4 nM 78L C33 H30 F2 N4 O4 S c1cc(sc1)C....
25 4KIP ic50 = 7 nM 1R9 C21 H18 Cl N3 O2 S Cc1ccc(cc1....
26 2EWA - SB2 C21 H16 F N3 O S C[S@](=O)c....
27 2GHL - LIB C23 H26 Cl N5 O3 C[C@@H](C(....
28 1ZZ2 ic50 = 6 uM B11 C24 H26 F N3 O4 S c1ccc(c(c1....
29 3ZSI - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
30 2YIW - YIW C30 H33 N7 O S CC(C)c1nnc....
31 1A9U - SB2 C21 H16 F N3 O S C[S@](=O)c....
32 1M7Q ic50 = 2.6 nM DQO C24 H20 Cl2 F2 N4 O c1cc(c(c(c....
33 5MTY Kd = 1.3 nM HB9 C29 H23 F2 N3 O4 S c1cc(sc1)C....
34 4EH7 - IRG C17 H16 N4 c1ccc(cc1)....
35 1YQJ ic50 = 7.3 nM 6NP C30 H27 N5 c1ccc(cc1)....
36 4EH3 - NAR C15 H12 O5 c1cc(ccc1[....
37 4AA5 ic50 = 6.7 nM NQB C24 H27 N5 O2 Cc1ccc(cc1....
38 1OVE ic50 = 0.74 nM 358 C26 H22 Cl2 F2 N2 O c1cc(c(c(c....
39 3UVP ic50 = 0.035 uM 048 C24 H21 F N2 O2 c1ccc(cc1)....
40 5N67 - 8ON C28 H30 N6 O CC(=O)N1CC....
41 3NNV ic50 = 27 nM 437 C25 H26 N4 O2 CC(C)(C)c1....
42 3CTQ ic50 = 40 nM 337 C30 H34 N6 O5 S Cc1ccc(cc1....
43 3IW7 - IPK C26 H26 N4 O S c1ccc(cc1)....
44 3ITZ ic50 = 1.4 nM P66 C21 H15 Cl F2 N6 O c1cc(c(c(c....
45 2ZB1 Ki = 0.48 uM GK4 C21 H21 N3 O2 Cc1ccc(cc1....
46 3HV5 ic50 = 150 nM R24 C30 H29 N7 O3 Cc1ccc(cc1....
47 1WBW ic50 = 44 uM LI4 C16 H14 N2 O c1ccc2c(c1....
48 3P79 ic50 = 2.3 uM P79 C24 H29 N5 O4 S CC(C)(C)c1....
49 3HV7 ic50 = 90 nM 1AU C24 H25 N5 O CC(C)(C)c1....
50 3GFE ic50 = 3.2 nM P37 C24 H21 F2 N5 O2 Cc1ccc(cc1....
51 3ZYA - 2A8 C21 H18 N2 O c1ccc2c(c1....
52 2RG5 ic50 = 3.1 nM 279 C19 H22 N6 O3 CCNC(=O)c1....
53 3L8X ic50 = 10 nM N4D C20 H18 N6 O Cc1ccc(cc1....
54 3GCS Kd = 56 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
55 3ZS5 - SB2 C21 H16 F N3 O S C[S@](=O)c....
56 3D83 Ki = 4.4 nM GK6 C28 H30 N4 O3 Cc1ccc(cc1....
57 1YW2 ic50 = 141 nM PGJ C22 H18 F N3 O5 CCOC[N@]1C....
58 1W82 ic50 = 196 nM L10 C20 H21 Cl N4 O CC(C)(C)C1....
59 3ZSG - T75 C24 H21 N3 O S CCc1nc(c(s....
60 5TCO Kd = 3.14 nM 79Q C35 H33 F N4 O4 c1ccc(cc1)....
61 4EH8 - IRG C17 H16 N4 c1ccc(cc1)....
62 3GCP Kd = 15 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
63 3HLL Ki = 0.0058 uM I45 C22 H19 Br F2 N2 O3 Cc1ccc(cc1....
64 1ZZL ic50 = 5 nM TZY C18 H15 F N4 O CC(C)c1nnc....
65 2RG6 ic50 = 2.2 nM 287 C25 H26 N6 O3 Cc1ccc(cc1....
66 3MPT ic50 = 0.25 uM 1GK C18 H16 N2 O3 Cc1ccccc1C....
67 1BL6 - SB6 C18 H16 F N3 c1cc(ccc1c....
68 3NNW ic50 = 9 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
69 3GI3 Kd < 1.8 nM B10 C33 H39 N5 O5 S CC(C)(C)c1....
70 3K3J - I46 C14 H9 F2 N3 c1cc(ccc1c....
71 3HEC ic50 = 70 uM STI C29 H31 N7 O Cc1ccc(cc1....
72 1IAN - D13 C21 H16 I N3 O S C[S@@](=O)....
73 3FC1 - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
74 3MVM ic50 = 13 nM 39P C22 H23 N7 O3 CCCNC(=O)c....
75 3NNU ic50 = 48 nM EDB C22 H17 Cl2 N5 O2 S c1cc(cc(c1....
76 1W7H ic50 = 1 mM 3IP C12 H12 N2 O c1ccc(cc1)....
77 3U8W ic50 = 1 nM 09J C24 H21 Cl F N5 O2 CCN1C(=O)C....
78 1WBS ic50 = 0.63 uM LI2 C26 H25 F N4 O2 c1cc2c(cc1....
79 4E6C Kd ~ 15 uM 0O8 C25 H53 N O4 P CCCCCCCCCC....
80 5N68 - 8OK C26 H27 N5 O c1ccc(cc1)....
81 1WBV ic50 = 162 uM LI3 C19 H18 F N3 O2 c1cc2c(cc[....
82 4EH2 - IRG C17 H16 N4 c1ccc(cc1)....
83 3HA8 - 5JZ C36 H38 N8 O5 CCOc1nc(nc....
84 3HEG ic50 = 0.057 uM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
85 2ZAZ Ki = 0.4 uM GK1 C20 H15 N3 O2 S Cc1ccc(cc1....
86 3HP5 - I46 C14 H9 F2 N3 c1cc(ccc1c....
87 5ML5 ic50 = 10 nM 1VI C26 H25 F N4 O3 S COc1ccc(c(....
88 4DLI Kd = 2.4 uM IRG C17 H16 N4 c1ccc(cc1)....
89 3P78 ic50 = 0.11 uM P78 C24 H27 N3 O4 S2 CC(C)(C)c1....
90 4EH9 - IRG C17 H16 N4 c1ccc(cc1)....
91 1YWR ic50 = 32 nM LI9 C27 H29 F N6 O C[C@@H](c1....
92 3IW5 Kd = 0.839 uM DF3 C28 H24 F3 N3 O4 S c1ccc2c(c1....
93 3HV3 ic50 = 900 nM R49 C30 H31 N7 O Cc1cccc(c1....
94 4A9Y - RNY C32 H37 N7 O4 Cc1ccc(cc1....
95 3GCU - R48 C29 H30 N8 O Cc1ccc(cc1....
96 1OUY ic50 = 4.3 nM 094 C24 H18 Cl2 F2 N4 O S c1cc(c(c(c....
97 3D7Z Ki = 12 nM GK5 C22 H24 N2 O2 Cc1ccc(cc1....
98 2YIS - YIS C35 H34 Cl N7 O3 S2 CC(C)(C)c1....
99 1OUK ic50 = 0.13 nM 084 C28 H29 F3 N6 C[C@@H](c1....
100 3BV2 Ki = 0.44 nM P38 C33 H32 N8 O3 Cc1ccc(cc1....
101 4R3C - GG5 C14 H10 F N3 c1cc(ccc1c....
102 4L8M ic50 = 0.001 uM F46 C33 H30 F N3 O5 c1ccc(cc1)....
103 4E6A - 0O9 C32 H65 O10 P CCCCCCCCCC....
104 1WBN ic50 = 0.35 uM L09 C20 H22 Cl N5 O2 CC(C)(C)c1....
105 2QD9 ic50 = 13 nM LGF C27 H24 F2 N6 O5 COC1=NC2=N....
106 3HUC Kd = 1030 nM G97 C20 H16 N6 O C=CC(=O)Nc....
107 3HL7 Ki = 0.023 uM I47 C20 H20 Cl N5 O2 c1cc(ccc1c....
108 4EHV - IRG C17 H16 N4 c1ccc(cc1)....
109 2GTN ic50 = 4 nM LIE C20 H16 F3 N5 O CC(C)n1c2c....
110 3HRB ic50 = 21 nM I39 C19 H14 F2 N2 O2 Cc1ccccc1c....
111 3BX5 ic50 = 1.5 nM 304 C17 H22 N4 O2 S CC[C@@H](C....
112 3HVC ic50 = 600 nM GG5 C14 H10 F N3 c1cc(ccc1c....
113 2GFS ic50 = 0.7 uM PQB C19 H18 F N3 O4 c1cc(cc(c1....
114 5N63 - 8OW C21 H17 F N4 c1ccc(cc1)....
115 2NPQ Kd = 3.08 uM BOG C14 H28 O6 CCCCCCCCO[....
116 3IW6 Kd = 3.29 uM PP0 C23 H31 N3 O3 CCn1c(c(c(....
117 3S4Q ic50 = 4 nM NK0 C25 H23 N5 O2 Cc1ccc(cc1....
118 2BAJ Kd = 4 nM 1PP C20 H20 Cl2 N4 O CC(C)(C)c1....
119 3ROC - 29B C14 H10 F N3 c1cc(ccc1c....
120 3NWW ic50 = 7 nM 3NW C24 H34 N8 O S CCNC(=O)NC....
121 1W83 ic50 = 0.065 uM L11 C23 H25 Cl F N3 O3 c1cc(cnc1)....
122 3ZSH - 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
123 3IPH Ki = 0.0000251 mM G11 C21 H23 N3 O2 Cc1ccc(cc1....
124 3P7B ic50 = 0.018 uM P7B C25 H28 N4 O3 S CC(C)(C)c1....
125 3GCQ Kd = 342 nM 1BU C29 H30 N8 O Cc1cccc(c1....
126 4F9Y Ki = 184 nM LM3 C21 H18 N4 CN(C)c1cc(....
127 2BAL Kd = 490 nM PQA C21 H21 F N4 O2 c1cc(cc(c1....
128 3HUB Kd = 8.2 nM 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
129 4F9W Ki = 114 nM LM4 C21 H18 N4 CN(C)c1cc(....
130 3P5K ic50 = 0.076 uM P5K C24 H27 N3 O4 S2 CC(C)(C)c1....
131 2I0H ic50 = 9 nM 222 C27 H19 Cl2 F N4 O3 c1ccc2c(c1....
132 1ZYJ ic50 = 1.5 uM BI5 C19 H16 N2 O2 c1ccc(cc1)....
133 3K3I - JZJ C18 H16 Br N3 c1ccc2c(c1....
134 1WBT ic50 = 0.34 uM WBT C26 H25 F N4 O2 c1cc(cc2c1....
135 1BMK - SB5 C17 H16 F N5 c1cc(ccc1c....
136 3E92 Ki = 10 nM G6A C21 H21 N3 O2 Cc1ccc(cc1....
137 3P7A ic50 = 0.52 uM P7A C23 H27 N3 O3 S2 CC(C)(C)c1....
138 3NNX ic50 = 11 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
139 4EH4 - IRG C17 H16 N4 c1ccc(cc1)....
140 1KV1 Kd = 1.16 uM BMU C15 H19 Cl N4 O CC(C)(C)c1....
141 3KF7 ic50 = 40 nM L9G C22 H18 F2 N4 O Cc1ccc(cc1....
142 4KIN ic50 = 4.8 nM 1M8 C22 H19 Cl N2 O2 S Cc1ccc(cc1....
143 4AA4 ic50 = 9 nM QC0 C25 H25 N5 O3 Cc1ccc(cc1....
144 3E93 Ki = 1.4 nM 19B C30 H32 N4 O3 Cc1ccc(cc1....
145 4AAC ic50 = 16 nM AAV C24 H24 N6 O3 Cc1ccc(cc1....
146 4AA0 ic50 = 35 nM AA0 C30 H33 N7 O3 Cc1ccc(cc1....
147 1OZ1 ic50 = 6.5 nM FPH C18 H12 F N3 O c1cc2c(c(c....
148 5N64 - 8OH C19 H16 N4 S c1ccc(cc1)....
149 3IW8 Kd = 13.4 uM HIZ C19 H18 Cl F N4 O2 S c1ccc(cc1)....
150 3TTI ic50 = 0.006 uM KBI C21 H23 F3 N6 O2 c1c(cc(c(c....
151 3TTJ ic50 = 0.21 uM JBI C23 H23 F N6 O COc1ccc(cc....
152 1JNK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
153 4H3B Kd = 17.2 uM VAL VAL ARG PRO GLY SER LEU ASP LEU PRO n/a n/a
154 3KVX ic50 = 0.148 uM FMY C26 H27 F N8 O2 c1cc(ccc1/....
155 4H39 Kd = 0.8 uM PRO LYS ARG PRO THR THR LEU ASN LEU PHE n/a n/a
156 4AWI ic50 = 1 uM AQ2 C21 H25 N3 O4 S2 CC(C)c1cc2....
157 2O0U ic50 = 3.2 uM C0M C27 H28 N4 O2 S c1ccc2c(c1....
158 2P33 ic50 = 57 nM J07 C20 H23 Cl N6 O CCNC(=O)N1....
159 2ZDU - 446 C28 H23 Br N2 O6 COC(=O)C1=....
160 2B1P ic50 = 3 nM AIZ C26 H26 Cl N5 O3 CN(C)CCCC(....
161 2OK1 Ki = 0.55 uM 33A C21 H17 Cl N4 O c1ccc(cc1)....
162 3OXI ic50 = 2.2 uM SYY C12 H11 N O3 S2 COC(=O)c1c....
163 3OY1 ic50 = 0.016 uM 589 C28 H31 N5 O2 c1ccc2cc(c....
164 2ZDT - 46C C26 H20 Cl N O4 CCC(=O)C1=....
165 3ELJ - GS7 C22 H21 F N6 O4 S COc1cc(ccc....
166 3FI2 ic50 = 0.025 uM JK1 C26 H25 N5 O5 COc1cc(cc(....
167 4L7F ic50 = 160 nM 1V5 C26 H26 F N5 O2 c1cc(ccc1C....
168 2WAJ ic50 = 0.398 uM SNB C16 H13 Br Cl N O COc1cc2c(c....
169 4QTD ic50 = 1080 nM 38Z C33 H33 N9 O2 c1cnc(nc1)....
170 3G9L Ki = 0.74 uM J67 C25 H19 F N2 O4 c1ccc(cc1)....
171 4Y46 ic50 = 11 nM 4F2 C22 H32 N6 O2 CC(C)NC(=O....
172 1PMN ic50 = 7.1 nM 984 C25 H30 Cl2 N6 CCCn1c(c(n....
173 3FI3 ic50 = 12 nM JK2 C29 H25 F N4 O4 COc1cc(cc(....
174 2O2U ic50 = 4 uM 738 C16 H13 F N2 O S c1ccc(c(c1....
175 4W4V ic50 = 866 nM 3H8 C23 H19 Cl N6 O2 Cc1cc(ccn1....
176 3DA6 - BZ9 C28 H23 N7 O Cc1cc(c2cc....
177 2R9S ic50 = 0.15 uM 255 C24 H24 N4 O2 S CC(C)(C)NS....
178 4Y5H ic50 = 15 nM 519 C20 H30 N6 O2 CC(C)NC(=O....
179 4X21 Kd = 36 nM 3WH C20 H23 I N6 O CCNC(=O)N1....
180 3RTP ic50 = 7 nM 34I C18 H14 N6 O2 S c1ccc2c(c1....
181 3PZE - CFK C12 H11 N3 O2 S c1ccc(cc1)....
182 4Z9L ic50 = 1.6 nM 880 C27 H34 Cl2 N6 CCCn1c(c(n....
183 4WHZ ic50 < 1 nM 3NL C24 H23 Cl N8 O2 c1ccc(c(c1....
184 4W4Y ic50 = 3034 nM 3HQ C24 H22 N6 O2 Cc1ccc(cc1....
185 4W4W ic50 = 6630 nM 3HJ C23 H20 N6 O2 Cc1cc(ccn1....
186 3G90 Ki = 0.44 uM J72 C17 H12 F2 N2 O4 c1cc2c(cc1....
187 1PMV ic50 = 150 nM 537 C14 H8 N2 O c1ccc2c(c1....
188 3GC8 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
189 3GC9 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
190 4ZSL - 4QZ C17 H17 Cl N6 O C[C@@H](c1....
191 5BYZ ic50 = 0.042 uM 4WE C25 H32 F N7 O Cc1ncc(n1C....
192 4ZSJ ic50 = 2.3 uM 4R0 C13 H17 Cl N6 O Cc1cc(ccc1....
193 4ZSG - 4QX C12 H15 Cl N6 O CC(C)NC(=O....
194 4XP3 - DX4 C5 H5 N5 S c1[nH]c2c(....
195 4O6E ic50 = 1 nM 2SH C21 H25 Cl F N5 O3 c1cc(c(cc1....
196 5NHJ ic50 < 0.0003 uM 8XE C18 H21 N7 O2 Cn1c(ccn1)....
197 4QYY Kd = 0.05 uM 3G7 C25 H29 Cl N4 O4 CC(=O)c1cc....
198 4I5H Ki < 2 nM G17 C26 H21 F3 N4 O Cc1ccc(cc1....
199 4QTE Kd = 0.084 uM 390 C24 H20 Cl2 F N5 O2 Cc1cnc(nc1....
200 4XNE - TT4 C8 H9 N5 c1ccc(cc1)....
201 3QYW - 6PB C11 H8 Br N5 c1cc(cc(c1....
202 5BUE ic50 = 0.003 uM 4V8 C23 H21 N5 O c1ccc(cc1)....
203 2Z7L - S91 C20 H19 N5 O3 Cc1cccc(c1....
204 4ZXT - CAQ C6 H6 O2 c1ccc(c(c1....
205 1WZY ic50 = 0.56 uM F29 C21 H17 N7 C=CCn1c2c(....
206 5NHH ic50 < 0.00113 uM 8XH C19 H25 N5 O3 COCCN1CCc2....
207 4N4S - 2H1 C25 H24 N6 O Cc1cc(cc2c....
208 4QP8 ic50 = 0.28 uM 362 C14 H10 N6 c1cc(cnc1)....
209 4QP4 - 36O C11 H15 N5 c1[nH]c2c(....
210 4QP9 ic50 = 0.071 uM 35X C17 H16 N6 CCCn1cc(cn....
211 5BVE ic50 = 0.01 nM 4VG C25 H28 Cl N5 O3 c1cc(cc(c1....
212 5KE0 - 6S9 C20 H18 N6 O Cc1cc(ccn1....
213 4XOY - DX4 C5 H5 N5 S c1[nH]c2c(....
214 3QYZ - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
215 5BVF ic50 = 0.19 nM 4VJ C25 H28 Cl N5 O3 c1cc(cc(c1....
216 4XOZ - 620 C15 H16 N6 O c1ccc(cc1)....
217 5HD7 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
218 4XRJ - 620 C15 H16 N6 O c1ccc(cc1)....
219 2OJJ Ki = 0.002 uM 82A C22 H17 Cl2 F N4 O2 c1cc(cc(c1....
220 4QTA Kd = 0.013 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
221 5NHO ic50 < 0.0003 uM 8XN C20 H25 N7 O2 Cc1cnc(nc1....
222 2OJG Ki = 2.3 uM 19A C16 H16 N4 O CN(C)C(=O)....
223 4XP0 - 42A C8 H5 N3 c1cc2c(c[n....
224 4QP2 Kd = 940 uM 36R C7 H5 Cl N2 O c1cc2c(cc1....
225 5NHF ic50 = 0.0012 uM 8X5 C23 H25 N5 O2 c1ccc(cc1)....
226 5BUJ ic50 = 0.005 uM 4VB C16 H15 N5 O c1cnccc1c2....
227 5BUI ic50 = 0.089 uM 4V9 C17 H15 F N4 c1ccnc(c1)....
228 4QP7 ic50 = 5.9 uM 363 C9 H7 N5 c1c[nH]c2c....
229 3ERK ic50 = 18 uM SB4 C18 H19 F N6 c1cc(ccc1c....
230 5V60 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
231 1TVO Ki = 0.14 uM FRZ C18 H13 N7 c1ccc(cc1)....
232 5BVD ic50 = 0.16 nM 4VF C24 H26 Cl N5 O3 c1cc(cc(c1....
233 4ZZN ic50 = 0.26 uM CQ8 C18 H21 Cl N4 O2 CNC(=O)c1c....
234 3SA0 - NRA C13 H8 O6 c1c(cc2c(c....
235 4ERK ic50 = 27 uM OLO C15 H18 N6 O Cn1cnc2c1n....
236 5U6I - 81Y C19 H22 N4 O2 CC(C)Oc1cc....
237 5NHV ic50 = 0.0028 uM 8QB C16 H19 N5 O2 c1cnc(nc1c....
238 3I5Z Ki = 2 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
239 4N0S - DHC C9 H8 O4 c1cc(c(cc1....
240 5NHP ic50 = 0.023 uM 8XK C19 H23 N7 O2 Cn1c(ccn1)....
241 3I60 Ki < 2 nM E86 C24 H22 Cl N5 O2 Cc1cnc(nc1....
242 4XP2 - TT4 C8 H9 N5 c1ccc(cc1)....
243 1PME Ki = 0.76 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
244 5NHL ic50 < 0.0003 uM 8XB C20 H25 N7 O2 Cc1cnc(nc1....
245 5HD4 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
246 5K4I ic50 = 3.1 nM 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
247 2F9G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
248 2B9F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
249 5AWM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
250 4EYM - 0RX C21 H20 N4 O3 c1cc(ccc1N....
251 5EKO ic50 = 15785 nM N17 C22 H18 N4 O2 Cc1cn(cn1)....
252 4EYJ - N61 C20 H23 N5 O2 CC(C)(C)c1....
253 1CM8 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
254 4QTB Kd = 0.084 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
255 2ZOQ ic50 = 0.9 uM 5ID C11 H13 I N4 O4 c1c(c2c(nc....
256 3NPC - B96 C31 H37 N5 O3 Cc1ccc(cc1....
257 3E7O ic50 = 120 nM 35F C20 H14 N6 O2 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2B9F; Ligand: ADP; Similar sites found: 336
This union binding pocket(no: 1) in the query (biounit: 2b9f.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5HP8 PYR 0.004456 0.43262 None
2 5C1P ADP 0.001442 0.44524 1.30719
3 3WVR AMP 0.0002953 0.45096 1.41643
4 4U98 ACP 0.001477 0.43543 1.69972
5 3LXI CAM 0.01352 0.41284 1.69972
6 2QK4 ATP 0.00122 0.40686 1.69972
7 2QF7 AGS 0.01497 0.40003 1.983
8 2FXD DR7 0.01517 0.40239 2.0202
9 3VPC ADP 0.0001418 0.4523 2.12766
10 5K2M ADP 0.0003983 0.4665 2.1978
11 1I7L ATP 0.0002405 0.43393 2.26537
12 3TY5 ATP 0.008218 0.41406 2.26629
13 4ZS4 ATP 0.00002456 0.49874 2.28013
14 2UYN 2KT 0.006883 0.42631 2.32558
15 3PDT ADP 0.0002513 0.47506 2.54545
16 3ETH ATP 0.0007445 0.4505 2.54958
17 3TII ANP 0.0009156 0.42355 2.54958
18 2F5X ASP 0.02048 0.40316 2.5641
19 4QA8 PJZ 0.008134 0.40765 2.62009
20 3BP1 GUN 0.0002565 0.51391 2.75862
21 4OCJ NDG 0.0001633 0.50328 2.83286
22 1U6R IOM 0.00738 0.41593 2.83286
23 2GQS ADP 0.004621 0.4054 2.95359
24 1W2D ADP 0.00007613 0.51152 3.01887
25 1W2D 4IP 0.0003017 0.41393 3.01887
26 5W2I I3P 0.00005598 0.45116 3.11284
27 5W2I ADP 0.00005598 0.45116 3.11284
28 4GYI ADP 0.000003997 0.56473 3.11615
29 2PUL ACP 0.000003631 0.55175 3.11615
30 4OCV ANP 0.0001415 0.46859 3.11615
31 5TDF ADP 0.002943 0.42211 3.11615
32 2R7K AMZ 0.01257 0.40486 3.11615
33 1E4E ADP 0.007501 0.40228 3.207
34 3BF1 PAU 0.01206 0.40203 3.21285
35 4GLW 0XT 0.007002 0.42196 3.27869
36 5DZT AMP 0.005563 0.43303 3.39943
37 3ZGJ RMN 0.01237 0.4143 3.39943
38 1KC7 PPR 0.01365 0.41131 3.39943
39 2HGS ADP 0.00652 0.41034 3.39943
40 2Z49 AMG 0.01316 0.40574 3.39943
41 3V4S ATP 0.00281 0.40218 3.39943
42 5FJN BE2 0.03366 0.40176 3.39943
43 5FJN FAD 0.03 0.40176 3.39943
44 5FI4 5XV 0.01202 0.40001 3.40557
45 4ZGP ADP 0.001781 0.43181 3.41297
46 3I0O ADP 0.00009407 0.50712 3.53982
47 2IF8 ADP 0.00004886 0.53575 3.58127
48 1TZD ADP 0.000106 0.40693 3.63636
49 5MW8 ATP 0.00000313 0.5585 3.68272
50 4R78 AMP 0.00001713 0.55037 3.68272
51 2PYW ADP 0.000002932 0.52607 3.68272
52 2VQD AP2 0.00008822 0.4691 3.68272
53 4PU5 ANP 0.002349 0.40048 3.68272
54 1G1T SIA GAL MAG FUC 0.02448 0.40175 3.82166
55 1ZP9 ATP 0.0000002272 0.61391 3.87597
56 3RE4 TO1 0.00001123 0.55134 3.87597
57 1ZTH ADP 0.0000003974 0.54775 3.87597
58 5VZ0 ADP 0.00002582 0.51378 3.96601
59 3DNT ATP 0.002877 0.42796 3.96601
60 3VOT ADP 0.001019 0.41877 3.96601
61 4HIA FMN 0.01276 0.41182 3.97727
62 3AKK ADP 0.002647 0.42216 4
63 4FE2 ADP 0.008852 0.40834 4.31373
64 4XYM A12 0.002007 0.41921 4.34783
65 1A99 PUT 0.005823 0.43655 4.36047
66 4WOV 3SM 0.0000263 0.5265 4.4164
67 3ORQ ADP 0.001976 0.415 4.53258
68 1OBD ATP 0.001886 0.43978 4.57516
69 1GSA ADP 0.0003783 0.46557 4.74684
70 4N9I PCG 0.03015 0.40566 4.7619
71 3X01 AMP 0.001194 0.46818 4.81586
72 1M0W ANP 0.004477 0.40213 4.81586
73 4LH7 1X8 0.002299 0.44994 4.95356
74 5C03 AGS 0.00001873 0.51382 4.97076
75 3UDZ ADP 0.000002173 0.55752 5.09915
76 2IO8 ADP 0.001622 0.40013 5.09915
77 3KMW ATP 0.00002826 0.51203 5.16605
78 3VPD ANP 0.0004106 0.46197 5.33808
79 2CFM AMP 0.0009385 0.45926 5.38244
80 4CNG SAH 0.01129 0.40564 5.4902
81 3TDV GDP 0.00001822 0.51433 5.55556
82 4CC6 L5Y 0.007122 0.4216 5.66572
83 3OCP CMP 0.01392 0.40303 5.7554
84 1IOW PHY 0.002214 0.44628 5.88235
85 2AQX ATP 0.002583 0.40429 5.88235
86 3RET SAL 0.008958 0.40418 5.94059
87 1TQP ATP 0.00002262 0.46898 6.02837
88 3N9O OGA 0.02434 0.40088 6.23229
89 2VPQ ANP 0.0001084 0.48979 6.87361
90 1S9D AFB 0.009799 0.41038 7.38916
91 5IGI GMP 0.01929 0.40441 7.6412
92 5IGI ZIT 0.02028 0.40441 7.6412
93 4AXD ANP 0.00001013 0.41017 7.64873
94 5A5W GUO 0.01017 0.42169 8.3004
95 4RDL FUC GAL NDG FUC 0.01358 0.41425 8.44156
96 5I35 ANP 0.00001094 0.5304 8.78187
97 3HAV ATP 0.000194 0.42129 10.0334
98 1PK8 ATP 0.00009163 0.44105 10.1983
99 4ME6 ADP 0.01405 0.41171 10.4816
100 5C4L 4XR 0.0007863 0.46305 10.5919
101 5C4L SIS 0.01491 0.40399 10.5919
102 4AZT LY2 0.001799 0.44572 10.7649
103 1AUX AGS 0.0001352 0.4764 11.5756
104 4Q5H ANP 0.000007719 0.53059 11.8421
105 4OUC 5ID 0.00000004619 0.60775 12.0448
106 1UYY BGC BGC 0.005576 0.43185 12.2137
107 5USZ SKE 0.0000009137 0.49848 12.4567
108 4XH0 ADP 0.0000005682 0.64089 12.4646
109 4CS9 AMP 0.01646 0.40529 13.2275
110 4OAV ACP 0.00000002852 0.64556 13.5977
111 3VPB ADP 0.00008837 0.44417 14.2857
112 4O1P ANP 0.00000001805 0.64524 14.4476
113 4WW7 AMP 0.00003594 0.50893 14.5594
114 4CYI ATP 0.00000725 0.53724 14.7309
115 5IQD GNP 0.0002409 0.494 16.3934
116 5IQD RIO 0.000257 0.494 16.3934
117 4IX4 ADP 0.00001222 0.52723 16.5714
118 4AZW ATP 0.001424 0.43604 16.7139
119 3KA2 2NC 0.01706 0.4186 16.7488
120 3VHE 42Q 0.0000001201 0.4964 16.9972
121 4LRJ ANP 0.000005552 0.54353 17.1598
122 5GZ9 ANP 0.00000001713 0.65943 17.377
123 2BKK ADP 0.0001048 0.46477 17.7515
124 5DMZ ADP 0.00000003377 0.63339 17.847
125 5CKW ANP 0.00004157 0.5241 19.2635
126 3Q60 ATP 0.000005619 0.52885 19.83
127 4I94 ANP 0.000000161 0.59369 20.3333
128 3LQV ADE 0.02061 0.40194 20.5128
129 4G17 0VN 0.000001969 0.53836 20.6061
130 5VC5 96M 0.0000003805 0.51135 22.8374
131 5M06 ADP 0.00002208 0.52325 23.913
132 4RJD TFP 0.02019 0.40841 24.2424
133 5KO1 6UY 0.00000004127 0.63841 25.0883
134 4FL3 ANP 0.00000008927 0.57612 25.4958
135 4E93 GUI 0.00000003607 0.5089 25.4958
136 2PZI AXX 0.0001427 0.49218 25.4958
137 4Y0X ADP 0.00004172 0.51064 25.779
138 4CLI 5P8 0.0000007192 0.62229 25.9939
139 3C1X CKK 0.00004361 0.47032 26.0623
140 5T8O 76Z 0.000000003045 0.64536 26.0745
141 4IDT T28 0.000000005542 0.67727 26.3456
142 1KJ1 MAN 0.01081 0.41183 26.6055
143 3GNI ATP 0.0000003085 0.56538 26.6289
144 4BTK DTQ 0.0000007773 0.57403 26.7062
145 5HCY 60D 0.00000006756 0.44142 26.8882
146 4Y93 746 0.000002076 0.49263 26.9122
147 4FF8 14S 0.00002668 0.47673 26.935
148 4L9I 8PR 0.000001249 0.57241 27.1955
149 5LI1 ANP 0.0000000007788 0.65558 27.4788
150 4DC2 ADE 0.00000006437 0.51538 27.4788
151 4KBA 1QM 0.000002556 0.47842 27.4924
152 5W4W 9WG 0.000001169 0.46711 27.4924
153 3PP0 03Q 0.00000004292 0.54104 27.5148
154 1U5R ATP 0.000000001334 0.70483 27.5862
155 3LXN MI1 0.000000003325 0.64453 27.673
156 5LI9 ACP 0.000000354 0.57697 27.7143
157 2CSN CKI 0.0000000519 0.54633 27.9461
158 3TXO 07U 0.000000006889 0.63987 28.0453
159 3UIM ANP 0.00000006757 0.62026 28.2209
160 4P5Z Q7M 0.000003839 0.42519 28.3286
161 3EKK GS2 0.0000002824 0.45897 28.3388
162 2OO8 RAJ 0.0004113 0.46194 28.3912
163 5UIU 8CG 0.000000005631 0.69777 28.483
164 5U6C 7YS 0.0000001643 0.56597 28.5714
165 3NW7 LGV 0.000004992 0.58474 28.6645
166 5EOB 5QQ 0.000002606 0.60716 28.8401
167 2R5T ANP 0.00000001454 0.6067 28.8952
168 3V8S 0HD 0.00000008847 0.6045 28.8952
169 5UKL SIX 0.000001094 0.58843 28.8952
170 4ASE AV9 0.000001173 0.58705 28.8952
171 3PVW QRX 0.0000008052 0.50484 28.8952
172 1OPK P16 0.000004375 0.44773 28.8952
173 2X2M X2M 0.00000003734 0.58867 28.9809
174 4NFN 2KC 0.000005616 0.5433 29.1262
175 4WNK 453 0.0000001542 0.50752 29.1785
176 3DLS ADP 0.0000000331 0.61246 29.2537
177 1K3A ACP 0.0000008983 0.54502 29.4314
178 3VRY B43 0.0000001485 0.5344 29.4618
179 4EUU BX7 0.0000000939 0.63449 29.4671
180 4U0I 0LI 0.000001875 0.58396 29.5238
181 5HES 032 0.0000002245 0.60676 29.6417
182 4GJ3 0XP 0.000000003516 0.70967 29.8013
183 2H8H H8H 0.00000009993 0.61286 30.0283
184 1Y57 MPZ 0.000001021 0.52497 30.0283
185 3GQI ACP 0.000000004563 0.67127 30.0613
186 4K33 ACP 0.00000001359 0.65418 30.1538
187 2PVF ACP 0.000000001454 0.70317 30.2395
188 4BHN BH9 0.00000007519 0.59121 30.2395
189 3LXK MI1 0.000000008558 0.56064 30.2752
190 2QCS ANP 0.000000001813 0.71215 30.2857
191 3TKI S25 0.00000003463 0.69764 30.3406
192 2HY0 306 0.00000201 0.57867 30.4348
193 4AT3 LTI 0.000003324 0.46066 30.4348
194 5VCV 1N1 0.000000005026 0.59964 30.5466
195 1RE8 BD2 0.00000001482 0.70635 30.5714
196 3IDB ANP 0.000000009427 0.59978 30.5714
197 2QLU ADE 0.0000002078 0.67911 30.5732
198 4WB7 ATP 0.00000001354 0.49665 30.5949
199 5CEO 50D 0.000002531 0.55169 30.6667
200 3KRL KRL 0.000003564 0.51304 30.7463
201 3FHI ANP 0.000000001346 0.71801 30.8571
202 4UAL 3FV 0.00000001616 0.64734 30.8782
203 4BKJ STI 0.0004335 0.41285 31.1111
204 4WB6 ATP 0.000000002279 0.58872 31.1429
205 4IJP 1EH 0.0000000001007 0.75158 31.1615
206 3PLS ANP 0.00000006209 0.61217 31.2081
207 4OH4 ANP 0.000000005631 0.66729 31.2312
208 4OTH DRN 0.0000001386 0.57192 31.3783
209 5DBX ANP 0.0000004455 0.55423 31.4024
210 5UR1 YY9 0.0000152 0.55756 31.5113
211 5LPZ ADP 0.000000003294 0.67743 31.6265
212 4U44 3D9 0.0000002324 0.59688 31.6265
213 3SXS PP2 0.0000009797 0.54476 31.7164
214 1Q8Y ADP 0.000000004522 0.67866 31.728
215 1Q8Y ADE 0.00000008972 0.56468 31.728
216 2GU8 796 0.00000001951 0.41368 31.7507
217 3H9R TAK 0.0000002252 0.53833 31.8182
218 5JKG 6LF 0.000004816 0.57539 31.8328
219 4YMJ 4EJ 0.0000002232 0.66013 31.9079
220 3RI1 3RH 0.0000002847 0.52363 31.9489
221 4YZN 4K5 0.00000002067 0.59051 32.0557
222 3CY2 MB9 0.0000001066 0.56623 32.1656
223 4AG8 AXI 0.000000714 0.44599 32.2785
224 4E1Z 0MX 0.0000001876 0.55392 32.3024
225 1U59 STU 0.00000005939 0.6227 32.4042
226 4M69 ANP 0.0000002599 0.60102 32.5879
227 4Y8D 49J 0.00000001261 0.65202 32.6471
228 5NKB 8ZT 0.0000004753 0.43436 32.6797
229 1JPA ANP 0.0000001965 0.42056 32.6923
230 4I6H 1C8 0.00005406 0.49375 32.7922
231 1VJY 460 0.000000001358 0.54082 33.0033
232 2J7T 274 0.00003126 0.52587 33.1126
233 4XV1 904 0.000000268 0.627 33.2192
234 3ORK AGS 0.0000008241 0.51178 33.4405
235 5AX9 4KT 0.00000001827 0.64501 33.4416
236 3SRV S19 0.000000001639 0.67853 33.574
237 5HVJ ANP 0.00000008022 0.68739 33.6508
238 5JFS 6K0 0.0000003334 0.63345 33.7662
239 5MJA 7O3 0.0000002671 0.6107 33.7705
240 2Y6O 1N1 0.000002751 0.51649 34.0206
241 4F4P 0SB 0.000001578 0.62245 34.0659
242 4EWH T77 0.0000003551 0.50716 34.1818
243 2YAB AMP 0.0000001484 0.60864 34.5609
244 5FBN 5WF 0.000001229 0.59811 34.6863
245 5TO8 7FM 0.0000008192 0.43652 34.7518
246 2XVD AS6 0.0000003617 0.61258 34.7682
247 1BYG STU 0.00000001162 0.62993 34.8921
248 4CQE CQE 0.000002124 0.52133 34.8921
249 4G31 0WH 0.000009017 0.42416 35.1171
250 5LPB ADP 0.00000000518 0.7111 35.1351
251 3HMO STU 0.00000006432 0.62982 35.4108
252 2A19 ANP 0.0000003851 0.62148 35.5634
253 4CSV STI 0.00009076 0.45231 36
254 2OFV 242 0.00000003772 0.67071 36.1011
255 2WQN ADP 0.000002227 0.5766 36.129
256 3G5D 1N1 0.0000003312 0.40533 36.7133
257 5UOX 8GY 0.00000006093 0.58382 37.2694
258 4XLI 1N1 0.0000009376 0.57795 37.3134
259 2Z7R STU 0.000000005533 0.62377 37.3832
260 5H2U 1N1 0.000003228 0.54709 37.4532
261 4TWP AXI 0.000001078 0.41043 37.6384
262 4Y85 499 0.000001484 0.56907 37.6506
263 4N70 2HX 0.000000344 0.4177 37.6771
264 5DA3 58V 0.00000004033 0.66841 37.7358
265 5TA6 79D 0.000003755 0.4735 38.2436
266 2RIO ADP 0.000000007473 0.67148 38.5269
267 3IGO ANP 0.0000002177 0.56143 38.8102
268 3MVH WFE 0.00000004145 0.51954 38.8889
269 2HK5 1BM 0.0000001469 0.61196 39.2593
270 5N87 N66 0.000000003943 0.50714 39.2971
271 3ALN ANP 0.00000008022 0.5893 39.4495
272 3C0G 3AM 0.000000187 0.62686 39.886
273 3BU5 ATP 0.00000003813 0.63109 40
274 4QMN DB8 0.00000321 0.4352 40
275 3HZT J60 0.000002393 0.58349 40.2266
276 3SXF BK5 0.000002504 0.5837 40.5099
277 5HX8 66P 0.000000007377 0.56741 40.7285
278 4YZC STU 0.000000009547 0.70072 41.0765
279 5LVP ATP 0.000001434 0.53785 41.1576
280 3KN5 ANP 0.00000005307 0.5933 41.2308
281 2WU6 DKI 0.000000007016 0.60842 41.3598
282 4JR7 GNP 0.00000002167 0.64178 41.4439
283 1XJD STU 0.000000004255 0.65598 41.4493
284 5IH9 6BF 0.0000006101 0.45614 41.4925
285 3GGF GVD 0.00000003517 0.65087 41.5282
286 4A4X JUP 0.0000006645 0.50896 41.5771
287 3FHR P4O 0.0000002863 0.5794 41.6667
288 4BFM ANP 0.000000007645 0.63255 41.9162
289 2V7O DRN 0.00000001337 0.59218 41.9643
290 3M2W L8I 0.000000003131 0.64081 42.1405
291 4JDI ANP 0.00000007262 0.5913 42.1965
292 4F9C 0SX 0.000000002344 0.69393 42.2096
293 2PVN P63 0.00000001671 0.54318 42.6136
294 4D2S DYK 0.000000007117 0.69318 42.9577
295 2VZ6 FEF 0.0000005009 0.60687 43.131
296 4X7Q 3YR 0.00000001202 0.65294 43.2692
297 4USF 6UI 0.0000547 0.50518 43.4211
298 4CRL C1I 0.000000005162 0.51924 43.6261
299 2WEL K88 0.0000005056 0.49856 43.7309
300 3AQV TAK 0.0003479 0.45851 43.8406
301 5G1X ADP 0.00000007548 0.62672 43.8596
302 5L8L ADP 0.0000006009 0.61223 43.8596
303 4NW6 2NS 0.000000007356 0.52449 43.9628
304 4FG8 ATP 0.0000004145 0.56288 44.127
305 5LXM ADP 0.00000002765 0.64616 44.1696
306 3E8N VRA 0.0000000274 0.4499 44.2815
307 3E8N ATP 0.0000000274 0.4499 44.2815
308 5JZJ AN2 0.0000000007817 0.71518 44.7811
309 3SLS ANP 0.00000002937 0.59475 45.0658
310 5DH3 5BS 0.0000009662 0.5474 45.0794
311 2YAK OSV 0.0000001934 0.62726 45.2632
312 4C2V YJA 0.000001929 0.5814 45.2632
313 5LXC 7AA 0.0000000008386 0.67802 45.3258
314 5DEY 59T 0.00001169 0.40879 45.4545
315 4YLL 4E3 0.00000004994 0.6387 45.6091
316 3OFM 4B0 0.0000002223 0.56741 46
317 3DAK ANP 0.0000003055 0.60804 46.2069
318 4C2W ANP 0.0000001222 0.56537 46.2366
319 5A6N U7E 0.0000007812 0.57701 46.2898
320 5EYK 5U5 0.000003684 0.47359 46.7391
321 5X8I SQZ 0.0000000003518 0.71977 46.8208
322 2ZV2 609 0.00000003414 0.67188 46.9799
323 4L3L 5FI 0.0000001601 0.63103 47.0395
324 3E5A VX6 0.00001323 0.47237 47.3881
325 2VN9 GVD 0.0000001232 0.5562 47.5083
326 3GC0 AMP 0.000001854 0.53302 47.7204
327 2WEI VGG 0.000006988 0.51608 47.7352
328 3ZRM ZRM 0.000001263 0.56485 48.1586
329 4KS7 X4Z 0.000002941 0.51016 48.2877
330 3PE2 E1B 0.000001805 0.60599 48.368
331 4NM5 ADP 0.000000007984 0.60272 48.4419
332 2JLD AG1 0.0000002033 0.48513 48.4419
333 3F7Z 34O 0.00000009453 0.61391 48.5714
334 4NST ADP 0.0000000003961 0.71752 48.7179
335 2XK9 XK9 0.00000001766 0.68613 48.7578
336 1PHK ATP 0.000000001069 0.7026 49.3289
337 2X4Z X4Z 0.000005336 0.56838 50
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