Receptor
PDB id Resolution Class Description Source Keywords
1JNK 2.3 Å EC: 2.7.11.24 THE C-JUN N-TERMINAL KINASE (JNK3S) COMPLEXED WITH MGAMP-PNP HOMO SAPIENS TRANSFERASE JNK3 MAP KINASE SERINE/THREONINE PROTEIN KINASE
Ref.: CRYSTAL STRUCTURE OF JNK3: A KINASE IMPLICATED IN NEURONAL APOPTOSIS. STRUCTURE V. 6 983 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ANP A:1001;
Valid;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
MG A:1002;
A:1003;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TTI 2.2 Å EC: 2.7.11.24 CRYSTAL STRUCTURE OF JNK3 COMPLEXED WITH CC-930, AN ORALLY A ANTI-FIBROTIC JNK INHIBITOR HOMO SAPIENS MITOGEN-ACTIVATED PROTEIN KINASE 10 JNK3 PROTEIN KINASE INKINASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF CC-930, AN ORALLY ACTIVE ANTI-FIBROTIC INHIBITOR. BIOORG.MED.CHEM.LETT. V. 22 1433 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 3TTI ic50 = 0.006 uM KBI C21 H23 F3 N6 O2 c1c(cc(c(c....
2 3TTJ ic50 = 0.21 uM JBI C23 H23 F N6 O COc1ccc(cc....
3 1JNK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (41)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3TTI ic50 = 0.006 uM KBI C21 H23 F3 N6 O2 c1c(cc(c(c....
2 3TTJ ic50 = 0.21 uM JBI C23 H23 F N6 O COc1ccc(cc....
3 1JNK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 4H3B Kd = 17.2 uM VAL VAL ARG PRO GLY SER LEU ASP LEU PRO n/a n/a
5 3KVX ic50 = 0.148 uM FMY C26 H27 F N8 O2 c1cc(ccc1/....
6 4H39 Kd = 0.8 uM PRO LYS ARG PRO THR THR LEU ASN LEU PHE n/a n/a
7 4AWI ic50 = 1 uM AQ2 C21 H25 N3 O4 S2 CC(C)c1cc2....
8 2O0U ic50 = 3.2 uM C0M C27 H28 N4 O2 S c1ccc2c(c1....
9 2P33 ic50 = 57 nM J07 C20 H23 Cl N6 O CCNC(=O)N1....
10 2ZDU - 446 C28 H23 Br N2 O6 COC(=O)C1=....
11 2B1P ic50 = 3 nM AIZ C26 H26 Cl N5 O3 CN(C)CCCC(....
12 2OK1 Ki = 0.55 uM 33A C21 H17 Cl N4 O c1ccc(cc1)....
13 3OXI ic50 = 2.2 uM SYY C12 H11 N O3 S2 COC(=O)c1c....
14 3OY1 ic50 = 0.016 uM 589 C28 H31 N5 O2 c1ccc2cc(c....
15 2ZDT - 46C C26 H20 Cl N O4 CCC(=O)C1=....
16 3ELJ - GS7 C22 H21 F N6 O4 S COc1cc(ccc....
17 3FI2 ic50 = 0.025 uM JK1 C26 H25 N5 O5 COc1cc(cc(....
18 4L7F ic50 = 160 nM 1V5 C26 H26 F N5 O2 c1cc(ccc1C....
19 2WAJ ic50 = 0.398 uM SNB C16 H13 Br Cl N O COc1cc2c(c....
20 4QTD ic50 = 1080 nM 38Z C33 H33 N9 O2 c1cnc(nc1)....
21 3G9L Ki = 0.74 uM J67 C25 H19 F N2 O4 c1ccc(cc1)....
22 4Y46 ic50 = 11 nM 4F2 C22 H32 N6 O2 CC(C)NC(=O....
23 1PMN ic50 = 7.1 nM 984 C25 H30 Cl2 N6 CCCn1c(c(n....
24 3FI3 ic50 = 12 nM JK2 C29 H25 F N4 O4 COc1cc(cc(....
25 2O2U ic50 = 4 uM 738 C16 H13 F N2 O S c1ccc(c(c1....
26 4W4V ic50 = 866 nM 3H8 C23 H19 Cl N6 O2 Cc1cc(ccn1....
27 3DA6 - BZ9 C28 H23 N7 O Cc1cc(c2cc....
28 2R9S ic50 = 0.15 uM 255 C24 H24 N4 O2 S CC(C)(C)NS....
29 4Y5H ic50 = 15 nM 519 C20 H30 N6 O2 CC(C)NC(=O....
30 4X21 Kd = 36 nM 3WH C20 H23 I N6 O CCNC(=O)N1....
31 3RTP ic50 = 7 nM 34I C18 H14 N6 O2 S c1ccc2c(c1....
32 3PZE - CFK C12 H11 N3 O2 S c1ccc(cc1)....
33 4Z9L ic50 = 1.6 nM 880 C27 H34 Cl2 N6 CCCn1c(c(n....
34 4WHZ ic50 < 1 nM 3NL C24 H23 Cl N8 O2 c1ccc(c(c1....
35 4W4Y ic50 = 3034 nM 3HQ C24 H22 N6 O2 Cc1ccc(cc1....
36 4W4W ic50 = 6630 nM 3HJ C23 H20 N6 O2 Cc1cc(ccn1....
37 3G90 Ki = 0.44 uM J72 C17 H12 F2 N2 O4 c1cc2c(cc1....
38 1PMV ic50 = 150 nM 537 C14 H8 N2 O c1ccc2c(c1....
39 5AWM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
40 3NPC - B96 C31 H37 N5 O3 Cc1ccc(cc1....
41 3E7O ic50 = 120 nM 35F C20 H14 N6 O2 c1cc(cc(c1....
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: ANP; Similar ligands found: 358
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 ADP 0.802632 0.972222
5 AP5 0.802632 0.945205
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 AN2 0.769231 0.986111
10 AQP 0.7625 0.972222
11 5FA 0.7625 0.972222
12 M33 0.759494 0.932432
13 MAP 0.752941 0.972973
14 ACP 0.75 0.945946
15 APR 0.740741 0.945205
16 AR6 0.740741 0.945205
17 ACQ 0.73494 0.945946
18 AD9 0.731707 0.945946
19 SAP 0.731707 0.921053
20 AGS 0.731707 0.921053
21 AMP 0.723684 0.944444
22 A 0.723684 0.944444
23 ATF 0.717647 0.933333
24 ADX 0.716049 0.851852
25 CA0 0.716049 0.92
26 50T 0.707317 0.932432
27 PRX 0.698795 0.87013
28 ABM 0.696203 0.893333
29 AMP MG 0.683544 0.868421
30 AP2 0.679012 0.933333
31 A12 0.679012 0.933333
32 APC 0.678571 0.933333
33 TAT 0.674419 0.933333
34 A22 0.674157 0.958904
35 SRA 0.670886 0.894737
36 SRP 0.670455 0.883117
37 5AL 0.666667 0.906667
38 ADQ 0.659341 0.92
39 A1R 0.659341 0.884615
40 ADP MG 0.654762 0.881579
41 3OD 0.648936 0.92
42 BIS 0.648936 0.909091
43 5SV 0.648352 0.82716
44 BEF ADP 0.647059 0.858974
45 ADP BEF 0.647059 0.858974
46 OAD 0.645161 0.92
47 25L 0.642105 0.958904
48 AMO 0.641304 0.907895
49 G5P 0.636364 0.897436
50 DLL 0.634409 0.906667
51 AHX 0.634409 0.897436
52 00A 0.634409 0.860759
53 ANP MG 0.633333 0.921053
54 ADV 0.632184 0.907895
55 ADP PO3 0.632184 0.917808
56 RBY 0.632184 0.907895
57 NB8 0.631579 0.897436
58 25A 0.630435 0.945205
59 8QN 0.630435 0.906667
60 OOB 0.630435 0.906667
61 G3A 0.626263 0.897436
62 ATP MG 0.625 0.881579
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 1ZZ 0.614583 0.819277
67 TXA 0.614583 0.907895
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 3UK 0.610526 0.894737
71 SON 0.604651 0.907895
72 ADP ALF 0.604396 0.848101
73 ALF ADP 0.604396 0.848101
74 WAQ 0.604167 0.860759
75 PR8 0.604167 0.829268
76 4UV 0.6 0.871795
77 GAP 0.6 0.87013
78 FYA 0.597938 0.881579
79 PTJ 0.597938 0.873418
80 ADP VO4 0.597826 0.906667
81 VO4 ADP 0.597826 0.906667
82 UP5 0.596154 0.896104
83 YAP 0.59596 0.871795
84 FA5 0.59596 0.883117
85 PAP 0.595506 0.958333
86 A4P 0.59434 0.823529
87 XAH 0.59 0.841463
88 4UU 0.588235 0.871795
89 AFH 0.588235 0.8625
90 9SN 0.585859 0.85
91 2A5 0.58427 0.894737
92 T5A 0.583333 0.821429
93 NAI 0.580952 0.884615
94 ITT 0.579545 0.917808
95 ATR 0.577778 0.944444
96 OMR 0.575472 0.831325
97 5AS 0.574713 0.781609
98 YLP 0.571429 0.8
99 48N 0.571429 0.873418
100 AP0 0.570093 0.873418
101 4TC 0.570093 0.873418
102 7D3 0.569767 0.881579
103 ADJ 0.568807 0.831325
104 GNP 0.568421 0.922078
105 DAL AMP 0.568421 0.881579
106 NXX 0.566038 0.907895
107 TXD 0.566038 0.884615
108 NAX 0.566038 0.851852
109 4UW 0.566038 0.839506
110 6V0 0.566038 0.873418
111 DND 0.566038 0.907895
112 XYA 0.565789 0.821918
113 ADN 0.565789 0.821918
114 RAB 0.565789 0.821918
115 AOC 0.564706 0.8
116 7D4 0.561798 0.881579
117 ADP BMA 0.561224 0.894737
118 TXE 0.560748 0.884615
119 TYM 0.560748 0.883117
120 YLB 0.555556 0.8
121 YLC 0.555556 0.819277
122 139 0.554545 0.851852
123 5N5 0.551282 0.797297
124 JB6 0.55 0.860759
125 LAQ 0.54717 0.819277
126 MYR AMP 0.544554 0.797619
127 A4D 0.544304 0.797297
128 5CD 0.544304 0.783784
129 7MD 0.542857 0.864198
130 6AD 0.542553 0.886076
131 A2R 0.541667 0.958904
132 UPA 0.541284 0.884615
133 YLA 0.540541 0.8
134 A A 0.54 0.918919
135 COD 0.539823 0.793103
136 BTX 0.539823 0.821429
137 G5A 0.537634 0.781609
138 CNA 0.535714 0.907895
139 AYB 0.535714 0.790698
140 3DH 0.535714 0.753247
141 BT5 0.535088 0.811765
142 ATP A A A 0.533981 0.905405
143 IOT 0.531532 0.811765
144 MTA 0.53012 0.753247
145 3AM 0.529412 0.90411
146 A3P 0.52809 0.944444
147 NAD 0.526316 0.906667
148 PPS 0.526316 0.851852
149 EP4 0.52439 0.734177
150 7D5 0.52381 0.855263
151 AMP DBH 0.52381 0.87013
152 J7C 0.522727 0.75
153 A5A 0.520833 0.809524
154 EAD 0.520661 0.851852
155 TSB 0.520408 0.821429
156 AHZ 0.518519 0.797619
157 M2T 0.518072 0.716049
158 DTA 0.518072 0.766234
159 A3D 0.517241 0.894737
160 6RE 0.517241 0.740741
161 YLY 0.516949 0.790698
162 SSA 0.515464 0.802326
163 NA7 0.514852 0.933333
164 TYR AMP 0.514286 0.858974
165 AR6 AR6 0.514019 0.893333
166 7MC 0.513514 0.843373
167 A2P 0.511111 0.930556
168 52H 0.510204 0.781609
169 VMS 0.510204 0.790698
170 54H 0.510204 0.790698
171 TAD 0.509259 0.8625
172 NAQ 0.508333 0.85
173 A3N 0.505618 0.766234
174 AV2 0.505155 0.893333
175 5CA 0.50505 0.802326
176 53H 0.50505 0.781609
177 ARU 0.504951 0.839506
178 ARG AMP 0.504587 0.809524
179 ZID 0.504132 0.894737
180 P1H 0.504 0.831325
181 3AT 0.5 0.945205
182 NAE 0.5 0.871795
183 AVV 0.5 0.873418
184 P5A 0.495146 0.747253
185 DSZ 0.49505 0.802326
186 LSS 0.49505 0.764045
187 NSS 0.49505 0.802326
188 N0B 0.491803 0.8
189 AF3 ADP 3PG 0.491071 0.817073
190 LA8 ALF 3PG 0.491071 0.817073
191 ALF ADP 3PG 0.491071 0.817073
192 NVA LMS 0.490196 0.764045
193 DAT 0.489362 0.881579
194 IMO 0.488889 0.90411
195 ZAS 0.488636 0.792208
196 FDA 0.488372 0.813953
197 NAJ PZO 0.487395 0.85
198 4TA 0.487179 0.788235
199 LPA AMP 0.486486 0.797619
200 LEU LMS 0.485437 0.764045
201 DTP 0.484536 0.881579
202 V3L 0.484536 0.945205
203 GJV 0.483516 0.731707
204 S4M 0.483516 0.651685
205 DZD 0.483051 0.8625
206 2AM 0.482759 0.917808
207 5AD 0.481013 0.726027
208 KAA 0.480769 0.755556
209 GSU 0.480769 0.781609
210 NDE 0.480315 0.907895
211 M24 0.479339 0.851852
212 MAO 0.478261 0.761905
213 DSH 0.477778 0.707317
214 NEC 0.477778 0.727273
215 FAD 0.477273 0.831325
216 FAS 0.477273 0.831325
217 RGT 0.476636 0.933333
218 0WD 0.474576 0.897436
219 G A A A 0.474576 0.85
220 FNK 0.474074 0.786517
221 5X8 0.473684 0.74359
222 6FA 0.473282 0.821429
223 FB0 0.472868 0.786517
224 NDC 0.472868 0.85
225 YSA 0.472222 0.781609
226 7DD 0.468085 0.958333
227 OVE 0.466667 0.881579
228 NAD IBO 0.466102 0.848101
229 MHZ 0.463158 0.701149
230 A3G 0.461538 0.779221
231 6C6 0.459184 0.858974
232 U A G G 0.458333 0.860759
233 SFG 0.458333 0.730769
234 7D7 0.45679 0.723684
235 128 0.45614 0.8
236 SFD 0.455224 0.736842
237 DDS 0.454545 0.855263
238 GDP 0.454545 0.896104
239 6IA 0.454545 0.817073
240 NJP 0.453782 0.921053
241 ODP 0.453782 0.886076
242 7DT 0.453608 0.958333
243 A7D 0.452632 0.75641
244 Z5A 0.452381 0.802326
245 WSA 0.452174 0.790698
246 7C5 0.45045 0.797468
247 FAY 0.449275 0.841463
248 NDP 0.449153 0.897436
249 A5D 0.44898 0.766234
250 SA8 0.44898 0.690476
251 NAJ PYZ 0.448 0.851852
252 71V 0.446809 0.884615
253 GGZ 0.446602 0.804878
254 RFL 0.446043 0.802326
255 2SA 0.445545 0.907895
256 AMP NAD 0.444444 0.858974
257 GP3 0.444444 0.897436
258 SAI 0.444444 0.716049
259 SAH 0.444444 0.725
260 A A A 0.443396 0.881579
261 PO4 PO4 A A A A PO4 0.443396 0.878378
262 4YB 0.442478 0.764045
263 GTP 0.441176 0.896104
264 SMM 0.441176 0.670455
265 S7M 0.441176 0.674419
266 Y3J 0.440476 0.706667
267 SAM 0.44 0.674419
268 649 0.439655 0.747253
269 12D 0.438596 0.809524
270 A3S 0.4375 0.789474
271 NPW 0.436975 0.864198
272 GCP 0.436893 0.873418
273 AAT 0.435644 0.690476
274 EEM 0.435644 0.674419
275 GNH 0.435644 0.909091
276 DCA 0.435484 0.804598
277 ETB 0.435484 0.813953
278 N6P 0.433962 0.890411
279 TXP 0.433333 0.897436
280 NZQ 0.433333 0.886076
281 PGS 0.43299 0.860759
282 APU 0.432203 0.871795
283 PUA 0.432 0.8625
284 62F 0.431655 0.841463
285 F2N 0.431507 0.795455
286 DA 0.430108 0.855263
287 D5M 0.430108 0.855263
288 J7V 0.429688 0.813953
289 NIA 0.428571 0.848101
290 6K6 0.428571 0.905405
291 A3T 0.428571 0.8
292 0T1 0.428571 0.804598
293 COA 0.428571 0.804598
294 P5F 0.427586 0.804598
295 AAM 0.425532 0.944444
296 0UM 0.424528 0.682353
297 G1R 0.423077 0.884615
298 AMZ 0.422222 0.891892
299 C2R 0.422222 0.88
300 A U 0.420168 0.848101
301 IDP 0.42 0.894737
302 GSP 0.419048 0.851852
303 COS 0.418605 0.786517
304 CAO 0.418605 0.777778
305 AMX 0.418605 0.813953
306 30N 0.418605 0.736842
307 DG1 0.418605 0.897436
308 1DG 0.418605 0.897436
309 TM1 0.418182 0.797619
310 A6D 0.416667 0.746988
311 K15 0.416667 0.666667
312 V1N 0.415929 0.893333
313 SCO 0.415385 0.804598
314 CMX 0.415385 0.804598
315 GEK 0.415094 0.719512
316 NHD 0.414634 0.881579
317 XNP 0.414634 0.851852
318 AIR 0.413793 0.876712
319 COK 0.413534 0.786517
320 G2R 0.412844 0.8625
321 FCX 0.412214 0.777778
322 FAM 0.412214 0.786517
323 ACO 0.412214 0.777778
324 NAP 0.410853 0.92
325 CNV FAD 0.409722 0.775281
326 FA9 0.409396 0.843373
327 SXZ 0.409091 0.694118
328 HAX 0.409091 0.806818
329 PLP AAD 0.408 0.744444
330 TAP 0.407692 0.884615
331 2MC 0.407407 0.752688
332 62X 0.407407 0.651685
333 GKE 0.40708 0.8625
334 GDD 0.40708 0.8625
335 GDC 0.40708 0.8625
336 FYN 0.406015 0.804598
337 3KK 0.406015 0.786517
338 U G A 0.405797 0.819277
339 NA0 0.40458 0.907895
340 101 0.404255 0.855263
341 G 0.40404 0.883117
342 5GP 0.40404 0.883117
343 MGP 0.403846 0.8625
344 MCD 0.402985 0.786517
345 OXK 0.402985 0.786517
346 CA6 0.402985 0.714286
347 SOP 0.402985 0.786517
348 3AD 0.402299 0.783784
349 S8M 0.401869 0.78481
350 YE1 0.40146 0.795455
351 1VU 0.4 0.777778
352 2VA 0.4 0.779221
353 CMC 0.4 0.786517
354 7RP 0.4 0.902778
355 GMV 0.4 0.873418
356 6G0 0.4 0.8625
357 CO6 0.4 0.786517
358 NMX 0.4 0.782609
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TTI; Ligand: KBI; Similar sites found: 279
This union binding pocket(no: 1) in the query (biounit: 3tti.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4C5N ACP 0.0009782 0.43215 1.08696
2 4C5N PXL 0.003782 0.4099 1.08696
3 2PYW ADP 0.00008808 0.44051 1.66667
4 3ZJX BOG 0.005223 0.45076 1.7301
5 2VPQ ANP 0.0009311 0.41144 1.77384
6 3UDZ ADP 0.00001402 0.46105 1.93966
7 4ANW O92 0.0008666 0.43286 1.93966
8 4OCJ NDG 0.0006824 0.44365 2.11082
9 1I7L ATP 0.001837 0.40463 2.26537
10 5I35 ANP 0.000005453 0.4634 2.29008
11 1PK8 ATP 0.001026 0.41723 2.36967
12 2IO8 ADP 0.001338 0.40895 2.58621
13 4OCV ANP 0.0003328 0.41687 2.63852
14 2VQD AP2 0.001096 0.40381 3.01724
15 2PUL ACP 0.00006109 0.43176 3.27456
16 3BU1 HSM 0.01243 0.41943 3.37838
17 4R78 AMP 0.00003611 0.41149 3.55987
18 5GZ9 ANP 0.000000008188 0.59184 3.60656
19 5C03 AGS 0.000015 0.45755 3.80117
20 4OUC 5ID 0.0000005811 0.48848 4.48179
21 5IQD RIO 0.0007273 0.44253 4.59016
22 5IQD GNP 0.0006772 0.44253 4.59016
23 5DMZ ADP 0.00000003783 0.54029 4.65753
24 5ML3 DL3 0.006474 0.40392 4.69799
25 4O1P ANP 0.00000006103 0.52773 4.9569
26 5MW8 ATP 0.00002777 0.468 4.9569
27 3L8H FX1 0.03275 0.42038 5.02793
28 3RE4 TO1 0.00008231 0.4037 5.03876
29 1ZB6 GST 0.004967 0.40002 5.21173
30 4CYI ATP 0.0001474 0.42926 5.25114
31 4WOV 3SM 0.00002622 0.43296 5.99369
32 3VPC ADP 0.0009988 0.40562 6.02837
33 2BKK ADP 0.0002137 0.40192 6.43939
34 5USZ SKE 0.000002627 0.52504 6.57439
35 4GYI ADP 0.00003991 0.53588 6.80101
36 4OAV ACP 0.0000002668 0.49848 6.89655
37 5A5W GUO 0.005982 0.40847 7.11462
38 2V58 LZJ 0.001402 0.43758 7.12695
39 5C4L SIS 0.00064 0.43663 7.16511
40 5C4L 4XR 0.000641 0.4366 7.16511
41 4KU7 PCG 0.02267 0.40162 7.18954
42 1EWF PC1 0.008521 0.40214 7.23684
43 3HNA SAH 0.01877 0.40209 7.31707
44 1IA9 ANP 0.00003988 0.51178 7.85714
45 4IX4 ADP 0.00007134 0.4454 8
46 3TDV GDP 0.00001592 0.45834 8.16993
47 4XH0 ADP 0.000002491 0.62623 8.68486
48 5M06 ADP 0.00000361 0.45578 9.05797
49 4G17 0VN 0.000004801 0.45748 9.39394
50 4ZS4 ATP 0.00003089 0.45132 10.4235
51 4WW7 AMP 0.0001728 0.43498 10.6952
52 3VPB ADP 0.0003406 0.43573 10.7143
53 1ZP9 ATP 0.00002001 0.43725 11.6279
54 1ZTH ADP 0.000009361 0.43231 11.6279
55 3PDT ADP 0.0001717 0.41281 11.6364
56 4Q5H ANP 0.00001023 0.46304 12.069
57 3VHE 42Q 0.00000003928 0.60109 12.2563
58 2XG5 EC2 0.002081 0.46384 12.3853
59 2XG5 EC5 0.002081 0.46384 12.3853
60 1TQP ATP 0.0001862 0.44189 12.4113
61 3Q60 ATP 0.000005504 0.46664 14.2857
62 2X2M X2M 0.00000006549 0.55578 14.3312
63 4I94 ANP 0.0000005353 0.48814 14.3333
64 5K2M ADP 0.001139 0.41192 15.0943
65 3PVW QRX 0.00002569 0.48245 16.2162
66 3GNI ATP 0.00000002286 0.56019 17.4807
67 1VJY 460 0.0000000002189 0.69528 18.1518
68 4FL3 ANP 0.00000001419 0.58132 18.319
69 4LRJ ANP 0.0000001403 0.51281 20.7101
70 3VRY B43 0.0000001084 0.59117 20.9251
71 4EUU BX7 0.0000002195 0.56116 21.0031
72 4Y93 746 0.00000447 0.50629 21.0762
73 2PZI AXX 0.0000336 0.53951 21.3362
74 4WNK 453 0.0000007007 0.55178 21.5517
75 4Y85 499 0.00001655 0.44877 21.988
76 5VC5 96M 0.00000001889 0.60864 22.4914
77 5T8O 76Z 0.00000009791 0.62045 22.9226
78 2H8H H8H 0.000000002597 0.57185 23.2759
79 4L9I 8PR 0.000005163 0.4688 23.4127
80 3C1X CKK 0.0001869 0.4334 23.8606
81 1Y57 MPZ 0.0000009445 0.52121 23.8938
82 4DC2 ADE 0.000003573 0.40726 23.9899
83 3V8S 0HD 0.0000007325 0.48683 24.1463
84 4OTH DRN 0.0000001318 0.54614 24.3402
85 4P5Z Q7M 0.0000003655 0.5765 24.6537
86 4Y0X ADP 0.00001241 0.4477 24.8
87 4BTK DTQ 0.000003652 0.47816 24.9258
88 5U6C 7YS 0.0000004773 0.52416 25.0794
89 2CSN CKI 0.0001235 0.49279 25.2525
90 4WB7 ATP 0.0000001959 0.58381 25.4321
91 3PP0 03Q 0.000000003846 0.64258 25.4438
92 4CLI 5P8 0.000000805 0.57053 25.6881
93 5TA6 79D 0.000002107 0.52878 25.6983
94 4BKJ STI 0.00002098 0.48016 25.7143
95 4ASE AV9 0.0000008741 0.54368 25.779
96 4OH4 ANP 0.00000001105 0.55667 25.8258
97 4IDT T28 0.000000009953 0.54609 25.8427
98 2OO8 RAJ 0.00006592 0.44609 25.8675
99 5LPZ ADP 0.0000000198 0.54674 25.9036
100 5JFS 6K0 0.0000003156 0.58252 25.974
101 3UIM ANP 0.00000005679 0.5324 26.0736
102 4E93 GUI 0.000001197 0.5466 26.2599
103 4NFN 2KC 0.0000002888 0.49502 26.5372
104 1OPK P16 0.00000541 0.51871 26.9397
105 2R5T ANP 0.0003732 0.46463 27.0777
106 5LI9 ACP 0.0000002852 0.60742 27.1429
107 4F9C 0SX 0.00000001366 0.54637 27.1468
108 3KRL KRL 0.00001044 0.47671 27.1642
109 1U59 STU 0.0000003183 0.514 27.1777
110 5W4W 9WG 0.0000001862 0.57664 27.1903
111 4KBA 1QM 0.000001156 0.53894 27.1903
112 5UKL SIX 0.00002366 0.48781 27.4194
113 3FC2 IBI 0.001319 0.45487 27.4627
114 3TXO 07U 0.0000008963 0.47991 27.4788
115 5HCY 60D 0.0000000029 0.67154 27.7946
116 4FF8 14S 0.00003556 0.41418 27.8638
117 5EOB 5QQ 0.00000005696 0.63156 28.2132
118 4K33 ACP 0.00000003379 0.54922 28.3077
119 2PVF ACP 0.00000002736 0.53607 28.4431
120 3H9R TAK 0.000001249 0.44277 28.4848
121 3GQI ACP 0.00000001199 0.55737 28.5276
122 1U5R ATP 0.002024 0.42562 28.7356
123 3TKI S25 0.000000454 0.59201 28.7926
124 4AG8 AXI 0.0000001775 0.58555 28.7975
125 5LI1 ANP 0.000000005775 0.59063 28.8136
126 2HY0 306 0.00001909 0.43404 28.882
127 5LPB ADP 0.0000001045 0.4856 29.0541
128 2QCS ANP 0.00000001417 0.60688 29.1429
129 3FHI ANP 0.00000001445 0.60662 29.1429
130 4U44 3D9 0.0000002797 0.50912 29.2169
131 4WB6 ATP 0.00000002069 0.6005 29.7143
132 3IGO ANP 0.000000002845 0.67892 29.7414
133 3HZT J60 0.00002575 0.42603 29.7414
134 4X7Q 3YR 0.0000001536 0.51852 29.8077
135 4U0I 0LI 0.000005403 0.51873 29.8413
136 5HVJ ANP 0.000003555 0.4108 29.8413
137 5UR1 YY9 0.0000009212 0.56661 29.9035
138 4QMN DB8 0.00000004103 0.61117 30
139 3RI1 3RH 0.000001067 0.53548 30.0319
140 3KMW ATP 0.0001133 0.42137 30.2326
141 4BHN BH9 0.0000006551 0.51408 30.2395
142 4YMJ 4EJ 0.000000572 0.43469 30.2632
143 4YZN 4K5 0.00000002773 0.57582 30.3136
144 3HMO STU 0.000000001549 0.56908 30.4094
145 3DLS ADP 0.0000008816 0.47807 30.4478
146 5JGA 6KC 0.0000001149 0.58708 30.4762
147 3LXN MI1 0.0000000194 0.56575 30.5031
148 3GGF GVD 0.00000008309 0.5157 30.5648
149 5DRB 5FJ 0.00000293 0.55011 30.5842
150 5AX9 4KT 0.00000002955 0.53908 30.8442
151 4Y8D 49J 0.00000003633 0.53664 30.8824
152 3CY2 MB9 0.0000003267 0.53796 30.8917
153 1BYG STU 0.00000004214 0.52048 30.9353
154 5JKG 6LF 0.000006986 0.52446 31.1897
155 3PLS ANP 0.00000002233 0.53894 31.2081
156 3NW7 LGV 0.000002928 0.55012 31.2704
157 4E1Z 0MX 0.0000009452 0.52076 31.2715
158 4GJ3 0XP 0.0000001233 0.58372 31.457
159 2RIO ADP 0.000000006091 0.55621 31.5668
160 4AT3 LTI 0.00005148 0.47825 31.7726
161 5DBX ANP 0.00000002299 0.5175 32.0122
162 1K3A ACP 0.0000001582 0.49256 32.107
163 3LXK MI1 0.00000006615 0.58741 32.1101
164 5HX8 66P 0.0000002823 0.55693 32.1192
165 4USF 6UI 0.000001273 0.52098 32.2368
166 5VCV 1N1 0.000000006602 0.60414 32.4759
167 4YZC STU 0.000000001238 0.67465 32.5926
168 3C0G 3AM 0.000001167 0.46595 32.7635
169 2XVD AS6 0.0000001198 0.57972 32.7815
170 3SXS PP2 0.00000002318 0.56046 32.8358
171 4M69 ANP 0.000000009621 0.57688 32.8622
172 5KO1 6UY 0.000001157 0.48201 32.8622
173 3EKK GS2 0.0000002026 0.58509 32.899
174 5N87 N66 0.00000000844 0.63884 32.9073
175 3BU5 ATP 0.00000007969 0.52658 33.0065
176 1XJD STU 0.00000006746 0.54027 33.0435
177 1RE8 BD2 0.0000008604 0.57225 33.1429
178 3IDB ANP 0.0000001701 0.5451 33.1429
179 4JR7 GNP 0.00000005949 0.53154 33.1551
180 3SXF BK5 0.0000002072 0.58092 33.1897
181 3ORK AGS 0.000000465 0.54354 33.4405
182 5MJA 7O3 0.00000001278 0.52818 33.4426
183 2GU8 796 0.000000003518 0.68438 34.4214
184 4L3L 5FI 0.00000764 0.5109 34.5395
185 4A4X JUP 0.000001104 0.53494 34.767
186 2Z7R STU 0.000000001373 0.61543 34.891
187 5FBN 5WF 0.0000005374 0.56431 35.0554
188 4WNP 3RJ 0.00000005436 0.51074 35.1916
189 2HK5 1BM 0.00000005174 0.54738 35.5556
190 1PHK ATP 0.000000002343 0.58526 35.5705
191 1ZY5 ANP 0.00004097 0.43557 35.6436
192 4N70 2HX 0.00000005664 0.6245 35.6707
193 3ALN ANP 0.000000005679 0.58206 35.7798
194 5CEO 50D 0.000001194 0.4934 36
195 2YAB AMP 0.000001627 0.4959 36.0111
196 4G31 0WH 0.000002353 0.53678 36.1204
197 5TO8 7FM 0.000008607 0.5223 36.1702
198 2A19 ANP 0.000001854 0.60922 36.2676
199 4D2S DYK 0.00000002217 0.51317 36.2676
200 4NW6 2NS 0.00000001192 0.62622 36.8421
201 3DAK ANP 0.0000004899 0.48448 36.8966
202 2WU6 DKI 0.00000002408 0.57796 37.0079
203 2OFV 242 0.00000002597 0.61917 37.1841
204 5UOX 8GY 0.000001166 0.51146 37.2694
205 3MVH WFE 0.0000005456 0.55607 37.4269
206 5HES 032 0.00000004853 0.55662 37.785
207 5UIU 8CG 0.0000001694 0.57608 38.0805
208 2JLD AG1 0.00000002324 0.6169 38.0952
209 3G5D 1N1 0.0000003015 0.6021 38.1119
210 5LXC 7AA 0.00000002846 0.52847 38.4804
211 3BZ3 YAM 0.000008049 0.40561 38.7681
212 4CRL C1I 0.0000003741 0.56869 38.9163
213 3KRR DQX 0.000000006548 0.68235 39.322
214 2WQN ADP 0.0000000225 0.69396 39.3548
215 3M2W L8I 0.0000001196 0.50152 39.4649
216 5DH3 5BS 0.000009658 0.47282 39.6825
217 3E8N ATP 0.0001768 0.50906 39.8827
218 3E8N VRA 0.0001768 0.50906 39.8827
219 2WEL K88 0.000001029 0.42634 40.0612
220 4JDI ANP 0.0000000632 0.5476 40.1734
221 2Y6O 1N1 0.0000002542 0.53111 40.2062
222 5NKB 8ZT 0.000000187 0.48543 40.5229
223 4EWH T77 0.0000001013 0.58019 40.7273
224 5MY8 RXZ 0.00000213 0.51887 40.7311
225 5H2U 1N1 0.00000018 0.51158 40.824
226 3KN5 ANP 0.000003854 0.46821 40.9231
227 2JDR L20 0.0000001363 0.61805 40.9357
228 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0000001363 0.61805 40.9357
229 4CSV STI 0.000003222 0.49876 41.0909
230 5DA3 58V 0.000000132 0.47931 41.1321
231 3SRV S19 0.000000016 0.54182 41.1552
232 5LVP ATP 0.000001407 0.4732 41.1576
233 4NM5 ADP 0.003602 0.42516 41.6446
234 3FHR P4O 0.000001263 0.57861 41.6667
235 4F4P 0SB 0.0000005462 0.59469 41.7582
236 4BFM ANP 0.000000009515 0.57687 41.9162
237 3ZRM ZRM 0.0000008192 0.49911 42.0485
238 4C2V YJA 0.0000009246 0.54704 42.1053
239 4RFM 3P6 0.00004055 0.50498 42.1053
240 5IH9 6BF 0.0000003407 0.57413 42.3881
241 2PVN P63 0.00000006592 0.58989 42.6136
242 3QCQ 3Q0 0.0000003491 0.62485 42.6282
243 3SLS ANP 0.000000006897 0.58898 42.7632
244 4FG8 ATP 0.00000008358 0.54629 42.8571
245 4C2W ANP 0.0000001513 0.48776 43.0108
246 2V7O DRN 0.000002625 0.44543 43.1548
247 4YLL 4E3 0.0000001324 0.55212 43.2133
248 3AQV TAK 0.0001551 0.42372 43.4783
249 2VN9 GVD 0.0000002369 0.46853 43.5216
250 3PE2 E1B 0.000006933 0.53455 43.6202
251 4XLI 1N1 0.00000011 0.51267 43.6567
252 1Q8Y ADP 0.00000001012 0.57666 43.6997
253 1Q8Y ADE 0.000003513 0.44225 43.6997
254 3OFM 4B0 0.000008651 0.44462 43.7143
255 2VZ6 FEF 0.0000007694 0.47104 43.77
256 5EFQ ADP 0.000000009723 0.55446 44.3804
257 2F57 23D 0.000005884 0.46065 44.4795
258 3F7Z 34O 0.000000174 0.52313 44.5714
259 4I6H 1C8 0.000003162 0.47908 44.8052
260 2YAK OSV 0.0000003944 0.56162 44.9123
261 5X8I SQZ 0.00000001313 0.55429 45.0867
262 4IJP 1EH 0.00000001317 0.56977 45.5307
263 5EYK 5U5 0.000002741 0.52432 46.0145
264 4TWP AXI 0.000001758 0.55794 46.1255
265 4KS7 X4Z 0.0000006481 0.5285 46.5753
266 5DEY 59T 0.00000004511 0.63447 46.8013
267 2X4Z X4Z 0.0000003407 0.57225 46.9595
268 5G1X ADP 0.0000002583 0.50882 47.0175
269 5L8L ADP 0.0000005658 0.47405 47.0175
270 5LXM ADP 0.0000001602 0.51423 47.3498
271 2XK9 XK9 0.00009313 0.51124 47.5155
272 4NST ADP 0.000000002376 0.57255 47.5783
273 2WEI VGG 0.00000007606 0.51055 47.7352
274 4CQE CQE 0.000004924 0.48797 47.8417
275 4XV1 904 0.00000008014 0.59542 47.9452
276 5A6N U7E 0.000009647 0.46744 48.4099
277 3GC0 AMP 0.000005128 0.45271 48.6322
278 2ZV2 609 0.000001233 0.61805 48.6577
279 5EW9 5VC 0.00000742 0.57427 49.0775
280 3E5A VX6 0.00001781 0.50158 50
Feedback