Receptor
PDB id Resolution Class Description Source Keywords
3KVX 2.4 Å EC: 2.7.11.24 JNK3 BOUND TO AMINOPYRIMIDINE INHIBITOR, SR-3562 HOMO SAPIENS JNK3 MAPK10 INHIBITOR ATP-BINDING EPILEPSY KINASE NUCLBINDING PHOSPHOPROTEIN SERINE/THREONINE-PROTEIN KINASE TRANSFERASE
Ref.: SYNTHESIS, BIOLOGICAL EVALUATION, X-RAY STRUCTURE, PHARMACOKINETICS OF AMINOPYRIMIDINE C-JUN-N-TERMINA (JNK) INHIBITORS J.MED.CHEM. V. 53 419 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMY A:403;
Valid;
none;
ic50 = 0.148 uM
502.543 C26 H27 F N8 O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WHZ 1.79 Å EC: 2.7.11.24 DESIGN AND SYNTHESIS OF HIGHLY POTENT AND ISOFORM SELECTIVE INHIBITORS: SAR STUDIES ON AMINOPYRAZOLE DERIVATIVES HOMO SAPIENS JNK3 JNK2 JNK1 P38 KINASE INHIBITOR PARKINSON DISEASE SELECTIVITY AMINOPYRAZOLE
Ref.: DESIGN AND SYNTHESIS OF HIGHLY POTENT AND ISOFORM S JNK3 INHIBITORS: SAR STUDIES ON AMINOPYRAZOLE DERIV J.MED.CHEM. V. 57 10013 2014
Members (35)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 4H3B Kd = 17.2 uM VAL VAL ARG PRO GLY SER LEU ASP LEU PRO n/a n/a
2 3KVX ic50 = 0.148 uM FMY C26 H27 F N8 O2 c1cc(ccc1/....
3 4H39 Kd = 0.8 uM PRO LYS ARG PRO THR THR LEU ASN LEU PHE n/a n/a
4 4AWI ic50 = 1 uM AQ2 C21 H25 N3 O4 S2 CC(C)c1cc2....
5 2O0U ic50 = 3.2 uM C0M C27 H28 N4 O2 S c1ccc2c(c1....
6 2P33 ic50 = 57 nM J07 C20 H23 Cl N6 O CCNC(=O)N1....
7 2ZDU - 446 C28 H23 Br N2 O6 COC(=O)C1=....
8 2B1P ic50 = 3 nM AIZ C26 H26 Cl N5 O3 CN(C)CCCC(....
9 2OK1 Ki = 0.55 uM 33A C21 H17 Cl N4 O c1ccc(cc1)....
10 3OXI ic50 = 2.2 uM SYY C12 H11 N O3 S2 COC(=O)c1c....
11 3OY1 ic50 = 0.016 uM 589 C28 H31 N5 O2 c1ccc2cc(c....
12 2ZDT - 46C C26 H20 Cl N O4 CCC(=O)C1=....
13 3ELJ - GS7 C22 H21 F N6 O4 S COc1cc(ccc....
14 3FI2 ic50 = 0.025 uM JK1 C26 H25 N5 O5 COc1cc(cc(....
15 4L7F ic50 = 160 nM 1V5 C26 H26 F N5 O2 c1cc(ccc1C....
16 2WAJ ic50 = 0.398 uM SNB C16 H13 Br Cl N O COc1cc2c(c....
17 4QTD ic50 = 1080 nM 38Z C33 H33 N9 O2 c1cnc(nc1)....
18 3G9L Ki = 0.74 uM J67 C25 H19 F N2 O4 c1ccc(cc1)....
19 4Y46 ic50 = 11 nM 4F2 C22 H32 N6 O2 CC(C)NC(=O....
20 1PMN ic50 = 7.1 nM 984 C25 H30 Cl2 N6 CCCn1c(c(n....
21 3FI3 ic50 = 12 nM JK2 C29 H25 F N4 O4 COc1cc(cc(....
22 2O2U ic50 = 4 uM 738 C16 H13 F N2 O S c1ccc(c(c1....
23 4W4V ic50 = 866 nM 3H8 C23 H19 Cl N6 O2 Cc1cc(ccn1....
24 3DA6 - BZ9 C28 H23 N7 O Cc1cc(c2cc....
25 2R9S ic50 = 0.15 uM 255 C24 H24 N4 O2 S CC(C)(C)NS....
26 4Y5H ic50 = 15 nM 519 C20 H30 N6 O2 CC(C)NC(=O....
27 4X21 Kd = 36 nM 3WH C20 H23 I N6 O CCNC(=O)N1....
28 3RTP ic50 = 7 nM 34I C18 H14 N6 O2 S c1ccc2c(c1....
29 3PZE - CFK C12 H11 N3 O2 S c1ccc(cc1)....
30 4Z9L ic50 = 1.6 nM 880 C27 H34 Cl2 N6 CCCn1c(c(n....
31 4WHZ ic50 < 1 nM 3NL C24 H23 Cl N8 O2 c1ccc(c(c1....
32 4W4Y ic50 = 3034 nM 3HQ C24 H22 N6 O2 Cc1ccc(cc1....
33 4W4W ic50 = 6630 nM 3HJ C23 H20 N6 O2 Cc1cc(ccn1....
34 3G90 Ki = 0.44 uM J72 C17 H12 F2 N2 O4 c1cc2c(cc1....
35 1PMV ic50 = 150 nM 537 C14 H8 N2 O c1ccc2c(c1....
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: FMY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FMY 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WHZ; Ligand: 3NL; Similar sites found: 262
This union binding pocket(no: 1) in the query (biounit: 4whz.bio1) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QKQ MAN 0.0001649 0.52006 None
2 4EES FMN 0.02746 0.40048 None
3 4C5N ACP 0.002722 0.41557 1.08696
4 4C5N PXL 0.006399 0.40798 1.08696
5 2GVJ DGB 0.009413 0.4223 1.55844
6 3T50 FMN 0.01556 0.41505 1.5625
7 3ZJX BOG 0.003026 0.48189 1.7301
8 5GWE GWM 0.03428 0.41782 1.81818
9 2Z49 AMG 0.01569 0.44303 2.07792
10 5JBE MAL 0.04551 0.40721 2.07792
11 1EHI ADP 0.02413 0.40593 2.12202
12 4EUO ABU 0.02781 0.40718 2.1875
13 4D4U FUC GAL NAG 0.02838 0.42232 2.22222
14 4ANW O92 0.001201 0.43195 2.33766
15 4BQY FNT 0.00325 0.44385 2.38095
16 5L9V OGA 0.009871 0.44291 2.38095
17 5L9B AKG 0.01108 0.44025 2.38095
18 2Z5Y HRM 0.04492 0.41137 2.5974
19 4OCV ANP 0.003946 0.44343 2.63852
20 1M3U KPL 0.04727 0.41014 2.65152
21 5J6Y GLC 0.03109 0.41401 2.65957
22 5J6Y BGC 0.03109 0.41401 2.65957
23 3HQR OGA 0.007985 0.44356 2.84553
24 1PK8 ATP 0.004138 0.42642 2.85714
25 5NCY 8TK 0.002597 0.42388 2.85714
26 4PU5 ANP 0.01405 0.40853 2.85714
27 4L80 OXL 0.02754 0.42098 2.87356
28 1QXA GLY GLY GLY 0.04524 0.40986 2.97872
29 3TAY MN0 0.01459 0.40262 3.06748
30 2IO8 ADP 0.003605 0.432 3.11688
31 5MRH Q9Z 0.01291 0.44096 3.37662
32 1W2D ADP 0.01821 0.4288 3.39623
33 2TPI ILE VAL 0.005628 0.43964 3.44828
34 4WVW SLT 0.001548 0.49541 3.47222
35 5C5T AKG 0.02131 0.42911 3.50877
36 4R78 AMP 0.0001359 0.54778 3.55987
37 5GZ9 ANP 0.000002989 0.40888 3.60656
38 3QH2 3NM 0.03732 0.4197 3.61991
39 2VQD AP2 0.002303 0.45081 3.63636
40 1CKM GTP 0.00407 0.43929 3.63636
41 4NOS ITU 0.02364 0.42666 3.63636
42 3Q3H UDP 0.03388 0.41441 3.63636
43 1V9A SAH 0.03499 0.40386 3.76569
44 2QHV OC9 0.01892 0.43193 3.80952
45 1DZK PRZ 0.004592 0.44773 3.82166
46 4DFU QUE 0.01355 0.44431 4.03727
47 4OCT AKG 0.01469 0.43376 4.05405
48 4WOV 3SM 0.0003942 0.51096 4.10095
49 3SJK LYS PRO VAL LEU ARG THR ALA 0.01252 0.44453 4.21053
50 4IAW LIZ 0.003214 0.46866 4.25532
51 2VDF OCT 0.002044 0.42698 4.34783
52 3KYG 5GP 5GP 0.004291 0.4417 4.40529
53 1OPB RET 0.03587 0.4004 4.47761
54 2HKA C3S 0.02708 0.40351 4.61538
55 5DMZ ADP 0.000006965 0.58033 4.65753
56 4A4Z ANP 0.03732 0.41215 4.67532
57 4BG4 ADP 0.003775 0.44805 4.77528
58 1EPB REA 0.02634 0.41004 4.87805
59 4U0W 16G 0.03581 0.40044 4.87805
60 1I1E DM2 0.006813 0.46089 4.93506
61 3KFF ZBT 0.0347 0.42148 4.93827
62 3KFF XBT 0.0347 0.42148 4.93827
63 3I0O ADP 0.009421 0.44398 5.01475
64 4NYT PC 0.03834 0.42548 5.06912
65 3P2H NOO 0.0239 0.40906 5.47264
66 3EXS 5RP 0.04402 0.4083 5.88235
67 4U98 ACP 0.02007 0.41594 5.97403
68 4K3P ACE GLN LEU ALA LEU PHE 0.02056 0.40639 6.01093
69 3VPC ADP 0.0007215 0.4703 6.02837
70 3TPV ADE 0.03026 0.4012 6.49351
71 5USZ SKE 0.00004171 0.40232 6.57439
72 4FE2 AIR 0.03701 0.41235 6.66667
73 4FE2 ADP 0.0385 0.40802 6.66667
74 5DCH 1YO 0.04091 0.41901 6.77083
75 4OFG PCG 0.005475 0.45204 6.94444
76 2G30 ALA ALA PHE 0.00001614 0.59795 6.97674
77 4GYI ADP 0.0001895 0.52734 7.01299
78 5F7Y GLC GAL NAG GAL FUC A2G 0.03206 0.41219 7.5
79 3X01 AMP 0.00751 0.45888 7.79221
80 1IA9 ANP 0.001305 0.46625 7.85714
81 5LXT ACP 0.008166 0.41915 8.05195
82 5JAX 6J7 0.008194 0.43527 8.14815
83 3TDV GDP 0.006116 0.43789 8.16993
84 4OAV ACP 0.000003618 0.60098 8.31169
85 2F9W PAU 0.02011 0.43049 8.31169
86 4YVN EBS 0.0003048 0.53806 8.57143
87 1XNG ATP 0.02449 0.40561 8.58209
88 3W0O HY0 0.005304 0.41129 8.59599
89 3W0O ADP 0.005304 0.41129 8.59599
90 4XH0 ADP 0.000007736 0.62865 9.09091
91 4MUV PCG 0.007039 0.44236 9.15493
92 2V0U FMN 0.009887 0.42445 9.58904
93 4AZT LY2 0.0009178 0.49736 9.61039
94 5DJU FMN 0.01444 0.41359 9.65517
95 3P7N FMN 0.01623 0.41417 9.68992
96 4ZS4 ATP 0.0001417 0.51199 10.4235
97 4XT2 43L 0.01601 0.40596 11.1111
98 2GC0 PAN 0.007909 0.43246 11.1702
99 1ZP9 ATP 0.0001147 0.53257 11.6279
100 3VHE 42Q 0.0000005248 0.57364 12.2563
101 1TQP ATP 0.001044 0.45575 12.4113
102 3UIM ANP 0.000002986 0.59812 13.1902
103 2X2M X2M 0.0000002271 0.43257 14.3312
104 3PVW QRX 0.00003426 0.51225 15.0649
105 3GNI ATP 0.000002091 0.40373 17.6623
106 1VJY 460 0.000000004942 0.52074 18.1518
107 4FL3 ANP 0.000001481 0.41641 18.1818
108 4ITH RCM 0.0007399 0.4698 19.7279
109 4O9S 2RY 0.01035 0.40658 20.4651
110 1GT4 UNA 0.00258 0.46011 22.0126
111 4CLI 5P8 0.000008369 0.4601 22.3242
112 5VC5 96M 0.0000001017 0.47016 22.4914
113 5T8O 76Z 0.00000007433 0.6598 22.9226
114 3C1X CKK 0.0003383 0.48532 23.8606
115 4U44 3D9 0.000001755 0.40013 24.0964
116 4Y93 746 0.000005911 0.41385 24.4156
117 4P5Z Q7M 0.000001766 0.46627 24.6537
118 3VRY B43 0.0000001221 0.62259 24.6753
119 5U6C 7YS 0.000003816 0.40673 25.0794
120 3PP0 03Q 0.00000000296 0.68521 25.4438
121 5TA6 79D 0.000001033 0.57172 25.6983
122 2PZI AXX 0.00005612 0.55457 25.7143
123 4ASE AV9 0.000004185 0.41985 25.779
124 4OH4 ANP 0.0000007482 0.4107 25.8258
125 4IDT T28 0.00000004601 0.42263 25.8427
126 5LPZ ADP 0.0000005904 0.40514 25.9036
127 5JFS 6K0 0.00002074 0.44027 25.974
128 4WNK 453 0.000003693 0.43892 25.974
129 4E93 GUI 0.00000448 0.52735 26.2599
130 5LI9 ACP 0.00003428 0.54123 27.1429
131 3KRL KRL 0.000004564 0.57072 27.1642
132 4KBA 1QM 0.0000005233 0.58407 27.1903
133 5W4W 9WG 0.00000002193 0.49898 27.1903
134 2R5T ANP 0.000005713 0.56627 27.3458
135 5HCY 60D 0.00000004654 0.53095 27.7946
136 1U59 STU 0.000008401 0.5764 27.8746
137 1Y57 MPZ 0.000008971 0.55193 28.0519
138 2H8H H8H 0.00000001754 0.43333 28.0519
139 5EOB 5QQ 0.00001065 0.47296 28.2132
140 2PVF ACP 0.000001591 0.6186 28.4431
141 3GQI ACP 0.0000008238 0.62518 28.5276
142 4Y8D 49J 0.00000005193 0.68324 28.5294
143 1U5R ATP 0.000001008 0.62094 28.7356
144 3TKI S25 0.000001731 0.49768 28.7926
145 4AG8 AXI 0.000005097 0.51337 28.7975
146 5LI1 ANP 0.00000382 0.40331 28.8136
147 2HY0 306 0.000002595 0.62334 28.882
148 4YMJ 4EJ 0.000004782 0.64012 29.2763
149 4N70 2HX 0.000005274 0.47699 29.5732
150 4X7Q 3YR 0.0000008428 0.6247 29.8077
151 5HVJ ANP 0.00005374 0.57646 29.8413
152 4U0I 0LI 0.00001937 0.41546 29.8413
153 5UR1 YY9 0.000007304 0.45985 29.9035
154 4QMN DB8 0.00000186 0.45996 30
155 3RI1 3RH 0.00003519 0.40309 30.0319
156 3LXN MI1 0.000003166 0.584 30.1887
157 4BHN BH9 0.000004708 0.40058 30.2395
158 4YZN 4K5 0.00000008158 0.45117 30.3136
159 4WB7 ATP 0.00005166 0.47561 30.3896
160 5JGA 6KC 0.000000186 0.47586 30.4762
161 5DRB 5FJ 0.000129 0.43683 30.5842
162 3HMO STU 0.00000001701 0.43225 30.7018
163 5AX9 4KT 0.0000004867 0.41204 30.8442
164 3CY2 MB9 0.000008066 0.554 30.8917
165 5JKG 6LF 0.000009775 0.4442 31.1897
166 3NW7 LGV 0.000004432 0.47424 31.2704
167 4E1Z 0MX 0.00002084 0.53552 31.2715
168 4GJ3 0XP 0.0000006524 0.46201 31.457
169 4AT3 LTI 0.0001253 0.47727 31.7726
170 3FHR P4O 0.000001992 0.59983 31.8452
171 3LXK MI1 0.0000003136 0.45541 32.1101
172 5HX8 66P 0.000005053 0.54763 32.1192
173 1OPK P16 0.00001345 0.51251 32.4675
174 5VCV 1N1 0.00000001832 0.46813 32.4759
175 4USF 6UI 0.000005475 0.41342 32.5658
176 2XVD AS6 0.0000000379 0.48461 32.7815
177 3SXS PP2 0.000000005371 0.45632 32.8358
178 3EKK GS2 0.0000005761 0.54471 32.899
179 5N87 N66 0.00000001372 0.52213 32.9073
180 3BU5 ATP 0.000000594 0.40546 33.0065
181 1XJD STU 0.000001236 0.60966 33.0435
182 5MJA 7O3 0.00000004216 0.41167 33.1148
183 3IDB ANP 0.000002531 0.57658 33.1429
184 1RE8 BD2 0.0000008374 0.49796 33.1429
185 3FHI ANP 0.000003361 0.42192 33.1429
186 2QCS ANP 0.000003778 0.42083 33.1429
187 3ORK AGS 0.00001256 0.53546 33.4405
188 4WB6 ATP 0.000003021 0.42365 33.7143
189 2GU8 796 0.0000002929 0.5255 34.4214
190 4L3L 5FI 0.00003635 0.41125 34.5395
191 4YZC STU 0.0000003048 0.48583 34.5455
192 4A4X JUP 0.00003042 0.40168 34.767
193 2Z7R STU 0.0000005354 0.42766 34.891
194 5FBN 5WF 0.0000002972 0.48094 35.0554
195 2HK5 1BM 0.00000009973 0.43246 35.1852
196 4WNP 3RJ 0.0000009136 0.6467 35.1916
197 1PHK ATP 0.0000001315 0.4202 35.5705
198 2RIO ADP 0.0000001833 0.40592 35.5844
199 3ALN ANP 0.00000003751 0.44131 35.7798
200 4G31 0WH 0.000007654 0.51428 35.786
201 3HZT J60 0.00001082 0.59897 35.8442
202 3IGO ANP 0.000001276 0.59601 35.8442
203 2A19 ANP 0.00002883 0.57656 36.2676
204 4D2S DYK 0.00000002128 0.41489 36.2676
205 5TO8 7FM 0.000128 0.41375 36.5248
206 5DEY 59T 0.00001667 0.46548 36.7003
207 4NW6 2NS 0.0000003439 0.57114 36.8421
208 3DAK ANP 0.000001314 0.40111 36.8966
209 2WU6 DKI 0.0000001565 0.44299 37.0079
210 2OFV 242 0.0000008761 0.46794 37.1841
211 5UOX 8GY 0.000002742 0.412 37.2694
212 5HES 032 0.0000001756 0.43283 37.785
213 3MVH WFE 0.00001741 0.41484 38.0117
214 3G5D 1N1 0.000001434 0.50276 38.1119
215 5UIU 8CG 0.000001619 0.44231 38.6997
216 3BZ3 YAM 0.0001105 0.41749 38.7681
217 3KRR DQX 0.0000002918 0.53381 39.322
218 2WQN ADP 0.00002908 0.56928 39.3548
219 3SXF BK5 0.0000007335 0.46847 39.7403
220 3E8N ATP 0.0000007552 0.51417 39.8827
221 3E8N VRA 0.0000007552 0.51417 39.8827
222 4CRL C1I 0.000003739 0.44345 39.9015
223 2Y6O 1N1 0.0000002991 0.42857 40.2062
224 5NKB 8ZT 0.000002145 0.50898 40.5229
225 2JDR L20 0.000001423 0.50404 40.6433
226 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.000001423 0.50404 40.6433
227 4EWH T77 0.0000003387 0.59199 40.7273
228 2JLD AG1 0.000000138 0.48562 40.7792
229 5LXC 7AA 0.0000005132 0.40519 40.7792
230 5H2U 1N1 0.00000002884 0.42813 40.824
231 5DA3 58V 0.00000005952 0.71803 41.1321
232 3SRV S19 0.0000004975 0.40431 41.1552
233 4F4P 0SB 0.000008254 0.4809 41.7582
234 4BFM ANP 0.00000342 0.58244 41.9162
235 4C2V YJA 0.0000002122 0.47076 42.1053
236 4RFM 3P6 0.000009022 0.46947 42.1053
237 5IH9 6BF 0.000001461 0.46426 42.3881
238 4NM5 ADP 0.000001278 0.42125 42.4403
239 2PVN P63 0.0000004548 0.4567 42.6136
240 3QCQ 3Q0 0.0000008128 0.53553 42.6282
241 3SLS ANP 0.0000009873 0.41811 42.7632
242 4FG8 ATP 0.00000401 0.40159 42.8571
243 4YLL 4E3 0.000001671 0.42261 43.2133
244 1Q8Y ADP 0.0000006241 0.41454 43.6997
245 2VZ6 FEF 0.000003799 0.61482 43.77
246 3PE2 E1B 0.00003838 0.44499 43.9169
247 2F57 23D 0.00001238 0.58131 44.4795
248 4I6H 1C8 0.0000008441 0.40545 44.8052
249 2YAK OSV 0.00001191 0.42363 44.9123
250 5X8I SQZ 0.000001012 0.40369 45.0867
251 4IJP 1EH 0.00000005928 0.43767 45.5307
252 5EYK 5U5 0.0000005061 0.45413 46.0145
253 4TWP AXI 0.00002312 0.44943 46.1255
254 4XV1 904 0.000007277 0.43692 46.2329
255 4KS7 X4Z 0.00004272 0.52153 46.5753
256 2X4Z X4Z 0.000001257 0.46494 46.9595
257 2XK9 XK9 0.001501 0.41626 47.5155
258 2WEI VGG 0.00000005219 0.41542 47.7352
259 4CQE CQE 0.000003917 0.45598 47.8417
260 2ZV2 609 0.000006139 0.61195 48.6577
261 5JZJ AN2 0.000000274 0.40346 48.8215
262 5EW9 5VC 0.000009221 0.50721 49.0775
263 3E5A VX6 0.00004179 0.51286 50
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