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Receptor
PDB id Resolution Class Description Source Keywords
4Y5H 2.06 Å EC: 2.7.11.24 PYRIDOPYRIMIDINONE DERIVATIVES AS POTENT AND SELECTIVE C-JUN TERMINAL KINASE (JNK) INHIBITORS HOMO SAPIENS JNK MAP KINASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: PYRIDOPYRIMIDINONE DERIVATIVES AS POTENT AND SELECT N-TERMINAL KINASE (JNK) INHIBITORS. ACS MED.CHEM.LETT. V. 6 413 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
519 A:501;
Valid;
none;
ic50 = 15 nM
386.491 C20 H30 N6 O2 CC(C)...
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 (38)
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 6EMH ic50 = 833 nM BGE C19 H21 N5 O Cc1c([nH]c....
13 2ZDT - 46C C26 H20 Cl N O4 CCC(=O)C1=....
14 3ELJ - GS7 C22 H21 F N6 O4 S COc1cc(ccc....
15 3FI2 ic50 = 0.025 uM JK1 C26 H25 N5 O5 COc1cc(cc(....
16 4L7F ic50 = 160 nM 1V5 C26 H26 F N5 O2 c1cc(ccc1C....
17 6EQ9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
18 2WAJ ic50 = 0.398 uM SNB C16 H13 Br Cl N O COc1cc2c(c....
19 4QTD ic50 = 1080 nM 38Z C33 H33 N9 O2 c1cnc(nc1)....
20 6EKD ic50 = 184 nM B9K C20 H23 N5 O S Cc1c([nH]c....
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....
70% Homology Family (44)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 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 6EMH ic50 = 833 nM BGE C19 H21 N5 O Cc1c([nH]c....
16 2ZDT - 46C C26 H20 Cl N O4 CCC(=O)C1=....
17 3ELJ - GS7 C22 H21 F N6 O4 S COc1cc(ccc....
18 3FI2 ic50 = 0.025 uM JK1 C26 H25 N5 O5 COc1cc(cc(....
19 4L7F ic50 = 160 nM 1V5 C26 H26 F N5 O2 c1cc(ccc1C....
20 6EQ9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
21 2WAJ ic50 = 0.398 uM SNB C16 H13 Br Cl N O COc1cc2c(c....
22 4QTD ic50 = 1080 nM 38Z C33 H33 N9 O2 c1cnc(nc1)....
23 6EKD ic50 = 184 nM B9K C20 H23 N5 O S Cc1c([nH]c....
24 3G9L Ki = 0.74 uM J67 C25 H19 F N2 O4 c1ccc(cc1)....
25 4Y46 ic50 = 11 nM 4F2 C22 H32 N6 O2 CC(C)NC(=O....
26 1PMN ic50 = 7.1 nM 984 C25 H30 Cl2 N6 CCCn1c(c(n....
27 3FI3 ic50 = 12 nM JK2 C29 H25 F N4 O4 COc1cc(cc(....
28 2O2U ic50 = 4 uM 738 C16 H13 F N2 O S c1ccc(c(c1....
29 4W4V ic50 = 866 nM 3H8 C23 H19 Cl N6 O2 Cc1cc(ccn1....
30 3DA6 - BZ9 C28 H23 N7 O Cc1cc(c2cc....
31 2R9S ic50 = 0.15 uM 255 C24 H24 N4 O2 S CC(C)(C)NS....
32 4Y5H ic50 = 15 nM 519 C20 H30 N6 O2 CC(C)NC(=O....
33 4X21 Kd = 36 nM 3WH C20 H23 I N6 O CCNC(=O)N1....
34 3RTP ic50 = 7 nM 34I C18 H14 N6 O2 S c1ccc2c(c1....
35 3PZE - CFK C12 H11 N3 O2 S c1ccc(cc1)....
36 4Z9L ic50 = 1.6 nM 880 C27 H34 Cl2 N6 CCCn1c(c(n....
37 4WHZ ic50 < 1 nM 3NL C24 H23 Cl N8 O2 c1ccc(c(c1....
38 4W4Y ic50 = 3034 nM 3HQ C24 H22 N6 O2 Cc1ccc(cc1....
39 4W4W ic50 = 6630 nM 3HJ C23 H20 N6 O2 Cc1cc(ccn1....
40 3G90 Ki = 0.44 uM J72 C17 H12 F2 N2 O4 c1cc2c(cc1....
41 1PMV ic50 = 150 nM 537 C14 H8 N2 O c1ccc2c(c1....
42 5AWM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
43 3NPC - B96 C31 H37 N5 O3 Cc1ccc(cc1....
44 3E7O ic50 = 120 nM 35F C20 H14 N6 O2 c1cc(cc(c1....
50% Homology Family (281)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 4FBX - 0TJ GLY ASP ASP ASP ASP ASP n/a n/a
2 5OUU - AWN C22 H20 Cl N3 c1ccc(cc1)....
3 4RLL - E91 C21 H14 N2 O2 c1ccc2c(c1....
4 5CU4 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
5 4O6E ic50 = 1 nM 2SH C21 H25 Cl F N5 O3 c1cc(c(cc1....
6 5NHJ ic50 < 0.0003 uM 8XE C18 H21 N7 O2 Cn1c(ccn1)....
7 4QYY Kd = 0.05 uM 3G7 C25 H29 Cl N4 O4 CC(=O)c1cc....
8 4I5H Ki < 2 nM G17 C26 H21 F3 N4 O Cc1ccc(cc1....
9 6G93 ic50 = 11 nM EU2 C17 H17 Cl N4 O2 c1cc2c(cc1....
10 4QTE Kd = 0.084 uM 390 C24 H20 Cl2 F N5 O2 Cc1cnc(nc1....
11 4XNE - TT4 C8 H9 N5 c1ccc(cc1)....
12 3QYW - 6PB C11 H8 Br N5 c1cc(cc(c1....
13 5BUE ic50 = 0.003 uM 4V8 C23 H21 N5 O c1ccc(cc1)....
14 6GE0 ic50 = 2.1 nM EVQ C28 H30 Cl N5 O4 C[C@H](c1c....
15 6G9N ic50 = 3 nM ESN C29 H32 Cl N5 O4 Cc1cccc(c1....
16 2Z7L - S91 C20 H19 N5 O3 Cc1cccc(c1....
17 4ZXT - CAQ C6 H6 O2 c1ccc(c(c1....
18 1WZY ic50 = 0.56 uM F29 C21 H17 N7 C=CCn1c2c(....
19 6DMG - EK6 C27 H26 Cl2 F N5 O4 CCOC(=O)CN....
20 5NHH ic50 < 0.00113 uM 8XH C19 H25 N5 O3 COCCN1CCc2....
21 6G9H ic50 = 4 nM ERW C24 H30 Cl N5 O3 CC(C)(C)N(....
22 4N4S - 2H1 C25 H24 N6 O Cc1cc(cc2c....
23 4QP8 ic50 = 0.28 uM 362 C14 H10 N6 c1cc(cnc1)....
24 4QP4 - 36O C11 H15 N5 c1[nH]c2c(....
25 6G9D ic50 = 4.3 nM ER8 C23 H28 Cl N5 O3 CC(C)(C)NC....
26 6GJB ic50 = 0.008 uM F0H C35 H34 Cl F N6 O4 c1cc(c(cc1....
27 6G91 ic50 = 3200 nM EQW C9 H12 Cl N3 O c1c(cnc(n1....
28 6G8X - EQT C7 H6 Cl N3 c1cc2c(c(c....
29 6DCG ic50 = 7 nM G67 C37 H41 N9 O3 S CC(C)Oc1cc....
30 4QP9 ic50 = 0.071 uM 35X C17 H16 N6 CCCn1cc(cn....
31 5BVE ic50 = 0.01 nM 4VG C25 H28 Cl N5 O3 c1cc(cc(c1....
32 5KE0 - 6S9 C20 H18 N6 O Cc1cc(ccn1....
33 6CPW ic50 = 5.6 nM F8V C35 H35 F N8 O2 S CS[C@]1(CC....
34 4XOY - DX4 C5 H5 N5 S c1[nH]c2c(....
35 6G9K - ESK C27 H28 Cl N5 O4 c1ccc(cc1)....
36 3QYZ - Z8B C10 H11 Br N8 O3 c1nc(c2c(n....
37 5BVF ic50 = 0.19 nM 4VJ C25 H28 Cl N5 O3 c1cc(cc(c1....
38 6G9M ic50 = 7.9 nM ESW C28 H30 Cl N5 O3 CC(C)(c1cc....
39 4XOZ - 620 C15 H16 N6 O c1ccc(cc1)....
40 5HD7 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
41 4XRJ - 620 C15 H16 N6 O c1ccc(cc1)....
42 2OJJ Ki = 0.002 uM 82A C22 H17 Cl2 F N4 O2 c1cc(cc(c1....
43 4QTA Kd = 0.013 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
44 5NHO ic50 < 0.0003 uM 8XN C20 H25 N7 O2 Cc1cnc(nc1....
45 2OJG Ki = 2.3 uM 19A C16 H16 N4 O CN(C)C(=O)....
46 4XP0 - 42A C8 H5 N3 c1cc2c(c[n....
47 4QP2 Kd = 940 uM 36R C7 H5 Cl N2 O c1cc2c(cc1....
48 5NHF ic50 = 0.0012 uM 8X5 C23 H25 N5 O2 c1ccc(cc1)....
49 5BUJ ic50 = 0.005 uM 4VB C16 H15 N5 O c1cnccc1c2....
50 6G9J ic50 = 4.1 nM ERK C27 H28 Cl N5 O3 C[C@H](c1c....
51 5BUI ic50 = 0.089 uM 4V9 C17 H15 F N4 c1ccnc(c1)....
52 4QP7 ic50 = 5.9 uM 363 C9 H7 N5 c1c[nH]c2c....
53 3ERK ic50 = 18 uM SB4 C18 H19 F N6 c1cc(ccc1c....
54 6GDQ - EVK C21 H22 Cl2 N4 O2 CC(C)Nc1cc....
55 5V60 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
56 1TVO Ki = 0.14 uM FRZ C18 H13 N7 c1ccc(cc1)....
57 6G9A ic50 = 21 nM ESQ C23 H28 Cl N5 O3 c1cc2c(cc1....
58 5BVD ic50 = 0.16 nM 4VF C24 H26 Cl N5 O3 c1cc(cc(c1....
59 4ZZN ic50 = 0.26 uM CQ8 C18 H21 Cl N4 O2 CNC(=O)c1c....
60 3SA0 - NRA C13 H8 O6 c1c(cc2c(c....
61 4ERK ic50 = 27 uM OLO C15 H18 N6 O Cn1cnc2c1n....
62 6GJD ic50 = 0.022 uM F0E C46 H55 N11 O5 c1cnc(nc1)....
63 5U6I - 81Y C19 H22 N4 O2 CC(C)Oc1cc....
64 5NHV ic50 = 0.0028 uM 8QB C16 H19 N5 O2 c1cnc(nc1c....
65 3I5Z Ki = 2 nM Z48 C24 H23 N5 O2 Cc1cnc(nc1....
66 4N0S - DHC C9 H8 O4 c1cc(c(cc1....
67 5NHP ic50 = 0.023 uM 8XK C19 H23 N7 O2 Cn1c(ccn1)....
68 3I60 Ki < 2 nM E86 C24 H22 Cl N5 O2 Cc1cnc(nc1....
69 4XP2 - TT4 C8 H9 N5 c1ccc(cc1)....
70 1PME Ki = 0.76 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
71 5NHL ic50 < 0.0003 uM 8XB C20 H25 N7 O2 Cc1cnc(nc1....
72 5HD4 - 38Z C33 H33 N9 O2 c1cnc(nc1)....
73 6G97 ic50 = 4.2 nM EQZ C20 H23 Cl N4 O3 COCCN1Cc2c....
74 6G92 ic50 = 76000 nM ERZ C10 H13 N5 Cc1cnc(nc1....
75 5K4I ic50 = 3.1 nM 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
76 4FA2 - SB0 C20 H21 F N4 O2 COc1nccc(n....
77 2GHM - LIC C24 H28 Cl N5 O3 C[C@@H](C(....
78 1W84 ic50 = 35 uM L12 C15 H14 N2 c1ccc2c(c1....
79 4EH5 - IRG C17 H16 N4 c1ccc(cc1)....
80 2BAK Kd = 37 nM AQZ C32 H37 N7 O4 Cc1ccc(cc1....
81 3HV6 ic50 = 5500 nM R39 C27 H35 N5 O3 Cc1ccc(cc1....
82 3HP2 - P36 C19 H16 Br N O2 c1ccc(cc1)....
83 1WBO ic50 = 1 mM 2CH C6 H5 Cl O c1ccc(c(c1....
84 4KIQ ic50 = 23 nM 1RA C23 H23 N3 O4 CCOC(=O)n1....
85 3GC7 ic50 = 0.4 nM B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
86 4EH6 - IRG C17 H16 N4 c1ccc(cc1)....
87 5MTX Kd = 17.7 nM FJI C34 H31 F N4 O5 c1ccc(cc1)....
88 2ZB0 Ki = 0.24 uM GK3 C24 H18 N4 O2 Cc1ccc(cc1....
89 2GTM ic50 = 542 nM LID C19 H15 Cl F2 N6 CCn1c2c(cn....
90 5N66 - B96 C31 H37 N5 O3 Cc1ccc(cc1....
91 2YIX Kd = 3.3 nM YIX C19 H23 N5 O S CCNC(=O)NC....
92 3OCG ic50 = 3 nM OCG C21 H18 N6 O3 Cc1ccc(cc1....
93 1BL7 - SB4 C18 H19 F N6 c1cc(ccc1c....
94 3P7C ic50 = 0.022 uM P7C C25 H33 Cl2 N5 O3 S CC(C)(C)c1....
95 5TBE Kd = 4.4 nM 78L C33 H30 F2 N4 O4 S c1cc(sc1)C....
96 4KIP ic50 = 7 nM 1R9 C21 H18 Cl N3 O2 S Cc1ccc(cc1....
97 2EWA - SB2 C21 H16 F N3 O S C[S@](=O)c....
98 2GHL - LIB C23 H26 Cl N5 O3 C[C@@H](C(....
99 1ZZ2 ic50 = 6 uM B11 C24 H26 F N3 O4 S c1ccc(c(c1....
100 3ZSI - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
101 2YIW - YIW C30 H33 N7 O S CC(C)c1nnc....
102 5WJJ ic50 = 5.4 nM AQY C25 H19 F N6 O2 Cc1cc(ccc1....
103 1A9U - SB2 C21 H16 F N3 O S C[S@](=O)c....
104 1M7Q ic50 = 2.6 nM DQO C24 H20 Cl2 F2 N4 O c1cc(c(c(c....
105 5MTY Kd = 1.3 nM HB9 C29 H23 F2 N3 O4 S c1cc(sc1)C....
106 4EH7 - IRG C17 H16 N4 c1ccc(cc1)....
107 1YQJ ic50 = 7.3 nM 6NP C30 H27 N5 c1ccc(cc1)....
108 4EH3 - NAR C15 H12 O5 c1cc(ccc1[....
109 4AA5 ic50 = 6.7 nM NQB C24 H27 N5 O2 Cc1ccc(cc1....
110 1OVE ic50 = 0.74 nM 358 C26 H22 Cl2 F2 N2 O c1cc(c(c(c....
111 3UVP ic50 = 0.035 uM 048 C24 H21 F N2 O2 c1ccc(cc1)....
112 5N67 - 8ON C28 H30 N6 O CC(=O)N1CC....
113 3NNV ic50 = 27 nM 437 C25 H26 N4 O2 CC(C)(C)c1....
114 3CTQ ic50 = 40 nM 337 C30 H34 N6 O5 S Cc1ccc(cc1....
115 3IW7 - IPK C26 H26 N4 O S c1ccc(cc1)....
116 3ITZ ic50 = 1.4 nM P66 C21 H15 Cl F2 N6 O c1cc(c(c(c....
117 2ZB1 Ki = 0.48 uM GK4 C21 H21 N3 O2 Cc1ccc(cc1....
118 3HV5 ic50 = 150 nM R24 C30 H29 N7 O3 Cc1ccc(cc1....
119 1WBW ic50 = 44 uM LI4 C16 H14 N2 O c1ccc2c(c1....
120 3P79 ic50 = 2.3 uM P79 C24 H29 N5 O4 S CC(C)(C)c1....
121 3HV7 ic50 = 90 nM 1AU C24 H25 N5 O CC(C)(C)c1....
122 3GFE ic50 = 3.2 nM P37 C24 H21 F2 N5 O2 Cc1ccc(cc1....
123 3ZYA - 2A8 C21 H18 N2 O c1ccc2c(c1....
124 2RG5 ic50 = 3.1 nM 279 C19 H22 N6 O3 CCNC(=O)c1....
125 3L8X ic50 = 10 nM N4D C20 H18 N6 O Cc1ccc(cc1....
126 3GCS Kd = 56 nM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
127 3ZS5 - SB2 C21 H16 F N3 O S C[S@](=O)c....
128 3D83 Ki = 4.4 nM GK6 C28 H30 N4 O3 Cc1ccc(cc1....
129 1YW2 ic50 = 141 nM PGJ C22 H18 F N3 O5 CCOC[N@]1C....
130 1W82 ic50 = 196 nM L10 C20 H21 Cl N4 O CC(C)(C)C1....
131 3ZSG - T75 C24 H21 N3 O S CCc1nc(c(s....
132 5TCO Kd = 3.14 nM 79Q C35 H33 F N4 O4 c1ccc(cc1)....
133 4EH8 - IRG C17 H16 N4 c1ccc(cc1)....
134 3GCP Kd = 15 nM SB2 C21 H16 F N3 O S C[S@](=O)c....
135 3HLL Ki = 0.0058 uM I45 C22 H19 Br F2 N2 O3 Cc1ccc(cc1....
136 1ZZL ic50 = 5 nM TZY C18 H15 F N4 O CC(C)c1nnc....
137 2RG6 ic50 = 2.2 nM 287 C25 H26 N6 O3 Cc1ccc(cc1....
138 3MPT ic50 = 0.25 uM 1GK C18 H16 N2 O3 Cc1ccccc1C....
139 1BL6 - SB6 C18 H16 F N3 c1cc(ccc1c....
140 3NNW ic50 = 9 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
141 3GI3 Kd < 1.8 nM B10 C33 H39 N5 O5 S CC(C)(C)c1....
142 3K3J - I46 C14 H9 F2 N3 c1cc(ccc1c....
143 3HEC ic50 = 70 uM STI C29 H31 N7 O Cc1ccc(cc1....
144 1IAN - D13 C21 H16 I N3 O S C[S@@](=O)....
145 3FC1 - 52P C19 H9 Cl2 F2 N3 O S c1cc(c(c(c....
146 3MVM ic50 = 13 nM 39P C22 H23 N7 O3 CCCNC(=O)c....
147 3NNU ic50 = 48 nM EDB C22 H17 Cl2 N5 O2 S c1cc(cc(c1....
148 1W7H ic50 = 1 mM 3IP C12 H12 N2 O c1ccc(cc1)....
149 3U8W ic50 = 1 nM 09J C24 H21 Cl F N5 O2 CCN1C(=O)C....
150 1WBS ic50 = 0.63 uM LI2 C26 H25 F N4 O2 c1cc2c(cc1....
151 4E6C Kd ~ 15 uM 0O8 C25 H53 N O4 P CCCCCCCCCC....
152 5N68 - 8OK C26 H27 N5 O c1ccc(cc1)....
153 1WBV ic50 = 162 uM LI3 C19 H18 F N3 O2 c1cc2c(cc[....
154 4EH2 - IRG C17 H16 N4 c1ccc(cc1)....
155 3HA8 - 5JZ C36 H38 N8 O5 CCOc1nc(nc....
156 3HEG ic50 = 0.057 uM BAX C21 H16 Cl F3 N4 O3 CNC(=O)c1c....
157 2ZAZ Ki = 0.4 uM GK1 C20 H15 N3 O2 S Cc1ccc(cc1....
158 3HP5 - I46 C14 H9 F2 N3 c1cc(ccc1c....
159 5ML5 ic50 = 10 nM 1VI C26 H25 F N4 O3 S COc1ccc(c(....
160 4DLI Kd = 2.4 uM IRG C17 H16 N4 c1ccc(cc1)....
161 3P78 ic50 = 0.11 uM P78 C24 H27 N3 O4 S2 CC(C)(C)c1....
162 4EH9 - IRG C17 H16 N4 c1ccc(cc1)....
163 1YWR ic50 = 32 nM LI9 C27 H29 F N6 O C[C@@H](c1....
164 3IW5 Kd = 0.839 uM DF3 C28 H24 F3 N3 O4 S c1ccc2c(c1....
165 3HV3 ic50 = 900 nM R49 C30 H31 N7 O Cc1cccc(c1....
166 4A9Y - RNY C32 H37 N7 O4 Cc1ccc(cc1....
167 3GCU - R48 C29 H30 N8 O Cc1ccc(cc1....
168 1OUY ic50 = 4.3 nM 094 C24 H18 Cl2 F2 N4 O S c1cc(c(c(c....
169 3D7Z Ki = 12 nM GK5 C22 H24 N2 O2 Cc1ccc(cc1....
170 2YIS - YIS C35 H34 Cl N7 O3 S2 CC(C)(C)c1....
171 1OUK ic50 = 0.13 nM 084 C28 H29 F3 N6 C[C@@H](c1....
172 3BV2 Ki = 0.44 nM P38 C33 H32 N8 O3 Cc1ccc(cc1....
173 4R3C - GG5 C14 H10 F N3 c1cc(ccc1c....
174 4L8M ic50 = 0.001 uM F46 C33 H30 F N3 O5 c1ccc(cc1)....
175 4E6A - 0O9 C32 H65 O10 P CCCCCCCCCC....
176 1WBN ic50 = 0.35 uM L09 C20 H22 Cl N5 O2 CC(C)(C)c1....
177 2QD9 ic50 = 13 nM LGF C27 H24 F2 N6 O5 COc1c(cc2c....
178 3HUC Kd = 1030 nM G97 C20 H16 N6 O C=CC(=O)Nc....
179 3HL7 Ki = 0.023 uM I47 C20 H20 Cl N5 O2 c1cc(ccc1c....
180 4EHV - IRG C17 H16 N4 c1ccc(cc1)....
181 2GTN ic50 = 4 nM LIE C20 H16 F3 N5 O CC(C)n1c2c....
182 3HRB ic50 = 21 nM I39 C19 H14 F2 N2 O2 Cc1ccccc1c....
183 3BX5 ic50 = 1.5 nM 304 C17 H22 N4 O2 S CC[C@@H](C....
184 3HVC ic50 = 600 nM GG5 C14 H10 F N3 c1cc(ccc1c....
185 2GFS ic50 = 0.7 uM PQB C19 H18 F N3 O4 c1cc(cc(c1....
186 5N63 - 8OW C21 H17 F N4 c1ccc(cc1)....
187 2NPQ Kd = 3.08 uM BOG C14 H28 O6 CCCCCCCCO[....
188 3IW6 Kd = 3.29 uM PP0 C23 H31 N3 O3 CCn1c(c(c(....
189 3S4Q ic50 = 4 nM NK0 C25 H23 N5 O2 Cc1ccc(cc1....
190 2BAJ Kd = 4 nM 1PP C20 H20 Cl2 N4 O CC(C)(C)c1....
191 3ROC - 29B C14 H10 F N3 c1cc(ccc1c....
192 3NWW ic50 = 7 nM 3NW C24 H34 N8 O S CCNC(=O)NC....
193 1W83 ic50 = 0.065 uM L11 C23 H25 Cl F N3 O3 c1cc(cnc1)....
194 3ZSH - 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
195 3IPH Ki = 0.0000251 mM G11 C21 H23 N3 O2 Cc1ccc(cc1....
196 5MZ3 ic50 = 0.00021 uM 8EN C24 H19 F3 N4 O2 Cc1ccc(cc1....
197 3P7B ic50 = 0.018 uM P7B C25 H28 N4 O3 S CC(C)(C)c1....
198 3GCQ Kd = 342 nM 1BU C29 H30 N8 O Cc1cccc(c1....
199 4F9Y Ki = 184 nM LM3 C21 H18 N4 CN(C)c1cc(....
200 2BAL Kd = 490 nM PQA C21 H21 F N4 O2 c1cc(cc(c1....
201 3HUB Kd = 8.2 nM 469 C27 H30 Cl F N4 O3 C[C@@H]1C[....
202 4F9W Ki = 114 nM LM4 C21 H18 N4 CN(C)c1cc(....
203 3P5K ic50 = 0.076 uM P5K C24 H27 N3 O4 S2 CC(C)(C)c1....
204 2I0H ic50 = 9 nM 222 C27 H19 Cl2 F N4 O3 c1ccc2c(c1....
205 1ZYJ ic50 = 1.5 uM BI5 C19 H16 N2 O2 c1ccc(cc1)....
206 3K3I - JZJ C18 H16 Br N3 c1ccc2c(c1....
207 1WBT ic50 = 0.34 uM WBT C26 H25 F N4 O2 c1cc(cc2c1....
208 1BMK - SB5 C17 H16 F N5 c1cc(ccc1c....
209 3E92 Ki = 10 nM G6A C21 H21 N3 O2 Cc1ccc(cc1....
210 3P7A ic50 = 0.52 uM P7A C23 H27 N3 O3 S2 CC(C)(C)c1....
211 6ANL ic50 = 240 nM T75 C24 H21 N3 O S CCc1nc(c(s....
212 3NNX ic50 = 11 nM EDD C22 H23 Cl2 N5 O2 CC(C)(C)C1....
213 4EH4 - IRG C17 H16 N4 c1ccc(cc1)....
214 1KV1 Kd = 1.16 uM BMU C15 H19 Cl N4 O CC(C)(C)c1....
215 3KF7 ic50 = 40 nM L9G C22 H18 F2 N4 O Cc1ccc(cc1....
216 4KIN ic50 = 4.8 nM 1M8 C22 H19 Cl N2 O2 S Cc1ccc(cc1....
217 4AA4 ic50 = 9 nM QC0 C25 H25 N5 O3 Cc1ccc(cc1....
218 5XYY ic50 = 9.221 uM P0F C15 H12 Cl F N4 O c1cc(cc(c1....
219 3E93 Ki = 1.4 nM 19B C30 H32 N4 O3 Cc1ccc(cc1....
220 4AAC ic50 = 16 nM AAV C24 H24 N6 O3 Cc1ccc(cc1....
221 4AA0 ic50 = 35 nM AA0 C30 H33 N7 O3 Cc1ccc(cc1....
222 1OZ1 ic50 = 6.5 nM FPH C18 H12 F N3 O c1cc2c(c(c....
223 5N64 - 8OH C19 H16 N4 S c1ccc(cc1)....
224 3IW8 Kd = 13.4 uM HIZ C19 H18 Cl F N4 O2 S c1ccc(cc1)....
225 3TTI ic50 = 0.006 uM KBI C21 H23 F3 N6 O2 c1c(cc(c(c....
226 3TTJ ic50 = 0.21 uM JBI C23 H23 F N6 O COc1ccc(cc....
227 1JNK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
228 3KVX ic50 = 0.148 uM FMY C26 H27 F N8 O2 c1cc(ccc1/....
229 4H39 Kd = 0.8 uM PRO LYS ARG PRO THR THR LEU ASN LEU PHE n/a n/a
230 4AWI ic50 = 1 uM AQ2 C21 H25 N3 O4 S2 CC(C)c1cc2....
231 2O0U ic50 = 3.2 uM C0M C27 H28 N4 O2 S c1ccc2c(c1....
232 2P33 ic50 = 57 nM J07 C20 H23 Cl N6 O CCNC(=O)N1....
233 2ZDU - 446 C28 H23 Br N2 O6 COC(=O)C1=....
234 2B1P ic50 = 3 nM AIZ C26 H26 Cl N5 O3 CN(C)CCCC(....
235 2OK1 Ki = 0.55 uM 33A C21 H17 Cl N4 O c1ccc(cc1)....
236 3OXI ic50 = 2.2 uM SYY C12 H11 N O3 S2 COC(=O)c1c....
237 3OY1 ic50 = 0.016 uM 589 C28 H31 N5 O2 c1ccc2cc(c....
238 6EMH ic50 = 833 nM BGE C19 H21 N5 O Cc1c([nH]c....
239 2ZDT - 46C C26 H20 Cl N O4 CCC(=O)C1=....
240 3ELJ - GS7 C22 H21 F N6 O4 S COc1cc(ccc....
241 3FI2 ic50 = 0.025 uM JK1 C26 H25 N5 O5 COc1cc(cc(....
242 4L7F ic50 = 160 nM 1V5 C26 H26 F N5 O2 c1cc(ccc1C....
243 6EQ9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
244 2WAJ ic50 = 0.398 uM SNB C16 H13 Br Cl N O COc1cc2c(c....
245 4QTD ic50 = 1080 nM 38Z C33 H33 N9 O2 c1cnc(nc1)....
246 6EKD ic50 = 184 nM B9K C20 H23 N5 O S Cc1c([nH]c....
247 3G9L Ki = 0.74 uM J67 C25 H19 F N2 O4 c1ccc(cc1)....
248 4Y46 ic50 = 11 nM 4F2 C22 H32 N6 O2 CC(C)NC(=O....
249 1PMN ic50 = 7.1 nM 984 C25 H30 Cl2 N6 CCCn1c(c(n....
250 3FI3 ic50 = 12 nM JK2 C29 H25 F N4 O4 COc1cc(cc(....
251 2O2U ic50 = 4 uM 738 C16 H13 F N2 O S c1ccc(c(c1....
252 4W4V ic50 = 866 nM 3H8 C23 H19 Cl N6 O2 Cc1cc(ccn1....
253 3DA6 - BZ9 C28 H23 N7 O Cc1cc(c2cc....
254 2R9S ic50 = 0.15 uM 255 C24 H24 N4 O2 S CC(C)(C)NS....
255 4Y5H ic50 = 15 nM 519 C20 H30 N6 O2 CC(C)NC(=O....
256 4X21 Kd = 36 nM 3WH C20 H23 I N6 O CCNC(=O)N1....
257 3RTP ic50 = 7 nM 34I C18 H14 N6 O2 S c1ccc2c(c1....
258 3PZE - CFK C12 H11 N3 O2 S c1ccc(cc1)....
259 4Z9L ic50 = 1.6 nM 880 C27 H34 Cl2 N6 CCCn1c(c(n....
260 4WHZ ic50 < 1 nM 3NL C24 H23 Cl N8 O2 c1ccc(c(c1....
261 4W4Y ic50 = 3034 nM 3HQ C24 H22 N6 O2 Cc1ccc(cc1....
262 4W4W ic50 = 6630 nM 3HJ C23 H20 N6 O2 Cc1cc(ccn1....
263 3G90 Ki = 0.44 uM J72 C17 H12 F2 N2 O4 c1cc2c(cc1....
264 1PMV ic50 = 150 nM 537 C14 H8 N2 O c1ccc2c(c1....
265 3GC8 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
266 3GC9 - B45 C28 H27 Cl3 F N3 O CC(C)N1CCC....
267 2PVH Ki = 0.26 uM P19 C17 H14 N6 c1ccc(cc1)....
268 5BYZ ic50 = 0.042 uM 4WE C25 H32 F N7 O Cc1ncc(n1C....
269 4ZSJ ic50 = 2.3 uM 4R0 C13 H17 Cl N6 O Cc1cc(ccc1....
270 4ZSG - 4QX C12 H15 Cl N6 O CC(C)NC(=O....
271 2F9G - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
272 2B9F - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
273 5AWM - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
274 4EYM - 0RX C21 H20 N4 O3 c1cc(ccc1N....
275 5EKO ic50 = 15785 nM N17 C22 H18 N4 O2 Cc1cn(cn1)....
276 4EYJ - N61 C20 H23 N5 O2 CC(C)(C)c1....
277 1CM8 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
278 4QTB Kd = 0.084 uM 38Z C33 H33 N9 O2 c1cnc(nc1)....
279 2ZOQ ic50 = 0.9 uM 5ID C11 H13 I N4 O4 c1c(c2c(nc....
280 3NPC - B96 C31 H37 N5 O3 Cc1ccc(cc1....
281 3E7O ic50 = 120 nM 35F C20 H14 N6 O2 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 519; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 519 1 1
2 4F2 0.666667 0.966102
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WHZ; Ligand: 3NL; Similar sites found with APoc: 704
This union binding pocket(no: 1) in the query (biounit: 4whz.bio1) has 47 residues
No: Leader PDB Ligand Sequence Similarity
1 2WBV SIA None
2 4CSD MFU None
3 3ZW2 NAG GAL FUC None
4 3ZW0 FUC None
5 4EES FMN None
6 2BS5 BGC GAL FUC None
7 6F7X MFU None
8 3ZW2 GLA NAG GAL FUC None
9 4C5N ACP 1.08696
10 4C5N PXL 1.08696
11 5MW8 ATP 1.2987
12 5C1P ADP 1.30719
13 5C1P DAL DAL 1.30719
14 1F5F DHT 1.46341
15 5YJS SAL 1.55844
16 1ELI PYC 1.55844
17 4GCZ FMN 1.55844
18 4PIV 2W4 1.55844
19 2GVJ DGB 1.55844
20 3T50 FMN 1.5625
21 3ACL 3F1 1.68919
22 3ZJX BOG 1.7301
23 5C3R HMU 1.74927
24 5C3R AKG 1.74927
25 4RF7 ARG 1.81818
26 4WOE ADP 1.81818
27 5OES ADP 1.81818
28 5GWE GWM 1.81818
29 5L2R MLA 1.81818
30 1GPM AMP 1.81818
31 5XJN 88L 1.81818
32 2HGS ADP 1.81818
33 5UY8 AMZ 1.81818
34 5G48 1FL 1.87166
35 5FU3 BGC BGC BGC 1.88679
36 4IJ6 SEP 1.89573
37 6GVZ CHO 1.96721
38 3CBC DBS 2.0202
39 1RJW ETF 2.0649
40 3UDZ ADP 2.07792
41 4UWH JXM 2.07792
42 2Z49 AMG 2.07792
43 2VPQ ANP 2.07792
44 3K5I ADP 2.07792
45 1F52 ADP 2.07792
46 5JBE MAL 2.07792
47 1U6R ADP 2.10526
48 1EHI ADP 2.12202
49 2RIF AMP 2.12766
50 5K21 6QF 2.12766
51 3A16 PXO 2.14477
52 5VM6 9EG 2.18978
53 4CC6 L5Y 2.20126
54 4D4U FUC GAL NAG 2.22222
55 4D52 GXL 2.22222
56 1SDW IYT 2.2293
57 3FW4 CAQ 2.24719
58 3W68 4PT 2.25564
59 3CL7 HYN 2.27273
60 3MF2 AMP 2.31214
61 2I6A 5I5 2.31884
62 4IBF 1D5 2.32558
63 5I35 ANP 2.33766
64 6EOM ALA LYS 2.33766
65 1YKD CMP 2.33766
66 6FL8 ADP 2.33766
67 6FL8 TIY 2.33766
68 1RYD GLC 2.33766
69 5TSH ANP 2.33766
70 6C1S EFV 2.33766
71 2IVD ACJ 2.33766
72 5L9V OGA 2.38095
73 4MOB ADP 2.40964
74 1S68 AMP 2.40964
75 5KR7 6X9 2.45232
76 5T8U LPA 2.5
77 1TL2 NDG 2.54237
78 4ARU TLA 2.5974
79 3KYF 5GP 5GP 2.5974
80 4YRI 4JH 2.5974
81 3N9O OGA 2.5974
82 3N9P OGA 2.5974
83 2A9G ARG 2.5974
84 2Z5Y HRM 2.5974
85 5O0J 8BR 2.5974
86 1LFW AEP 2.5974
87 4OCV ANP 2.63852
88 5J75 6GQ 2.65152
89 5J6Y BGC 2.65957
90 5J6Y GLC 2.65957
91 2YKL NLD 2.77778
92 3HQR OGA 2.84553
93 1GSA ADP 2.8481
94 5W75 SUC 2.85714
95 1PK8 ATP 2.85714
96 1GQG DCD 2.85714
97 6EZ6 C5Z 2.85714
98 5AE9 OKO 2.85714
99 4PU5 ANP 2.85714
100 4GK9 MAN BMA MAN MAN MAN 2.86738
101 4L80 OXL 2.87356
102 1KZN CBN 2.92683
103 1QXA GLY GLY GLY 2.97872
104 1SLT NDG GAL 2.98507
105 4YGF AZM 2.99145
106 3ZXE PGZ 3.00752
107 2O4N TPV 3.0303
108 4ZEV M6P 3.04054
109 3TAY MN0 3.06748
110 5IKB KAI 3.11284
111 1M0W ANP 3.11688
112 3E7S AT2 3.11688
113 2IO8 ADP 3.11688
114 3T1A 5MA 3.11688
115 4FMS BDP 3.11688
116 2UVF AD0 3.11688
117 3DLG GWE 3.11688
118 2OJW ADP 3.125
119 5GLT BGC GAL NAG GAL 3.16901
120 4XAC AKG 3.1746
121 1I7L ATP 3.23625
122 3JU6 ANP 3.24324
123 2CM4 RCL 3.33333
124 5VNF VAL THR SER VAL VAL 3.37662
125 2PUL ACP 3.37662
126 2Z3U CRR 3.37662
127 5MRH Q9Z 3.37662
128 4KCT PYR 3.37662
129 1KDK DHT 3.38983
130 1W2D ADP 3.39623
131 1FQK ALF 3.40136
132 3HCH RSM 3.42466
133 2TPI ILE VAL 3.44828
134 5JBX MLI 3.44828
135 6AOV SIA GAL NAG GAL NAG 3.44828
136 4UTW RFW 3.49345
137 6B2M COA 3.4965
138 2H04 4UN 3.51438
139 1AUX AGS 3.53698
140 4R78 AMP 3.55987
141 4RDL FUC GAL NDG FUC 3.57143
142 6FOF LAT 3.57143
143 5GZ9 ANP 3.60656
144 3QH2 3NM 3.61991
145 2VQD AP2 3.63636
146 1CKM GTP 3.63636
147 4NOS ITU 3.63636
148 3Q3H UDP 3.63636
149 2XN2 GLA 3.63636
150 3GWZ SAH 3.63636
151 5UGH 8AJ 3.63636
152 3V4S ATP 3.63636
153 5O1I 9GH 3.65297
154 3AKK ADP 3.69231
155 6GG9 FMN 3.7037
156 1W6P NDG GAL 3.73134
157 1GZW GAL BGC 3.73134
158 1F9V ADP 3.7464
159 1V9A SAH 3.76569
160 2D6M LBT 3.77358
161 5C03 AGS 3.80117
162 2AQX ATP 3.80623
163 5OF1 SAL 3.80952
164 1DZK PRZ 3.82166
165 4DD8 BAT 3.84615
166 5DZT AMP 3.8961
167 4B0T ADP 3.8961
168 2OO0 PLP 3.8961
169 3WG3 A2G GAL NAG FUC 3.93258
170 1T5B FMN 3.9801
171 3G1Z AMP 3.98773
172 1NX4 AKG 4.0293
173 1Y7P RIP 4.03587
174 4DFU QUE 4.03727
175 4WOV 3SM 4.10095
176 5DYO FLU 4.12844
177 5YK1 ANP 4.15584
178 5X7Q GLC GLC GLC GLC GLC 4.15584
179 5X7Q GLC GLC GLC GLC 4.15584
180 5OCA 9QZ 4.20168
181 3SJK LYS PRO VAL LEU ARG THR ALA 4.21053
182 3TII ANP 4.21053
183 2WKQ FMN 4.21687
184 4CS9 AMP 4.2328
185 5ZCT ANP 4.24837
186 4IAW LIZ 4.25532
187 4R38 RBF 4.28571
188 1BKC INN 4.29688
189 5XNC N4P 4.31267
190 6F5W KG1 4.33604
191 2VDF OCT 4.34783
192 1WW5 SGA BGC 4.375
193 3KYG 5GP 5GP 4.40529
194 2IF8 ADP 4.41558
195 2PYW ADP 4.41558
196 5VZ0 ADP 4.41558
197 5OLK DTP 4.41558
198 3T4L ZEA 4.44444
199 5DG2 GAL GLC 4.44444
200 2HJ4 PNZ 4.44444
201 4YBN FAD 4.46429
202 1OPB RET 4.47761
203 4OUC 5ID 4.48179
204 6G34 5ID 4.48179
205 1M26 GAL A2G 4.51128
206 3ITA AIC 4.54545
207 1D4D SIN 4.54545
208 1UYY BGC BGC 4.58015
209 1N9L FMN 4.58716
210 6CGD GNP 4.59016
211 1QY1 PRZ 4.5977
212 6GR0 F8W 4.5977
213 1IV2 CDP 4.60526
214 2HKA C3S 4.61538
215 2GQR ADP 4.64135
216 5DMZ ADP 4.65753
217 5OSW DIU 4.67532
218 4ZH7 FUC GAL NAG GAL FUC 4.67532
219 6A5K SAM 4.67532
220 4A4Z ANP 4.67532
221 5WXK TYD 4.71204
222 3B6R ADP 4.72441
223 5OCG 9R5 4.7619
224 3QXV MTX 4.7619
225 4WUJ FMN 4.7619
226 4BG4 ADP 4.77528
227 4XZ3 ACP 4.78261
228 4XYM A12 4.78261
229 2FR6 CTN 4.79452
230 5Y4R C2E 4.82759
231 5EJL C2E 4.83871
232 4U0W 16G 4.87805
233 4GLW NMN 4.91803
234 1I1E DM2 4.93506
235 3KFF XBT 4.93827
236 3KFF ZBT 4.93827
237 3VPD ANP 4.98221
238 1CBK ROI 5
239 3I0O ADP 5.01475
240 3RE4 TO1 5.03876
241 3OQJ 3CX 5.05837
242 5H9P TD2 5.06329
243 4NYT PC 5.06912
244 1TZD ADP 5.09091
245 1C1L GAL BGC 5.10949
246 4K37 SAM 5.13514
247 4K39 SAM 5.13514
248 4K38 SAM 5.13514
249 3GD9 GLC BGC BGC BGC 5.17711
250 5H9Y BGC BGC BGC BGC 5.19481
251 1G51 AMP 5.19481
252 1K0E TRP 5.19481
253 6FA4 D1W 5.20231
254 1GT6 OLA 5.20446
255 5RHN 8BR 5.21739
256 4YLZ LAT NAG GAL 5.22876
257 5TDF ADP 5.24691
258 5XLY C2E 5.26316
259 1BW9 PPY 5.33708
260 1C1X HFA 5.35211
261 5L83 ASP TRP GLU ILE VAL 5.35714
262 4RT1 C2E 5.35714
263 4QYS PLR 5.45455
264 4WH9 3M8 5.46448
265 3P2H NOO 5.47264
266 2QK4 ATP 5.53097
267 1E4E ADP 5.53936
268 2GTF P1R 5.55556
269 3TTZ 07N 5.55556
270 2AGC DAO 5.55556
271 5ETJ IM5 5.55556
272 3ORQ ADP 5.57029
273 3PN1 IVH 5.66038
274 5IM3 DTP 5.71429
275 4PAB THG 5.71429
276 5ENZ UDP 5.71429
277 2H12 OAA 5.71429
278 6E1Q CFA 5.71429
279 5CIC 51R 5.78231
280 1ZNY GDP 5.7971
281 4ZGP ADP 5.80205
282 2ZMF CMP 5.82011
283 3GD8 GOL 5.8296
284 4ZSI 4R1 5.84795
285 2IUW AKG 5.88235
286 3EXS 5RP 5.88235
287 6CC0 EWM 5.90717
288 6GNO XDI 5.92593
289 1LSH PLD 5.95611
290 1A78 TDG 5.97015
291 4O1P ANP 5.97403
292 5CKW ANP 5.97403
293 4CYI ATP 5.97403
294 3TY5 ATP 5.97403
295 4U98 ACP 5.97403
296 3CF6 SP1 5.98802
297 3OZG SSI 6
298 3QSB 743 6.01093
299 3HAV ATP 6.02007
300 3VPC ADP 6.02837
301 1VRP ADP 6.03675
302 2YMZ LAT 6.15385
303 1OW4 2AN 6.20155
304 2ORO 228 6.23377
305 1KGI T4A 6.29921
306 6BR8 6OU 6.34921
307 5F6U 5VK 6.36943
308 5GVR LMR 6.41026
309 6BFN DL1 6.43275
310 2BKK ADP 6.43939
311 4K55 H6P 6.45161
312 3DNT ATP 6.49351
313 4XMF HSM 6.52174
314 5USZ SKE 6.57439
315 4FE2 AIR 6.66667
316 4FE2 ADP 6.66667
317 4IEN GDP 6.74847
318 5DCH 1YO 6.77083
319 5DKK FMN 6.89655
320 2G30 ALA ALA PHE 6.97674
321 1OIK C26 6.97674
322 4GYI ADP 7.01299
323 5T7I LAT NAG GAL 7.09677
324 5C4L 4XR 7.16511
325 2AKO ADP 7.17131
326 5ACM MBT 7.20721
327 5FI4 5XV 7.27273
328 1T36 ADP 7.27273
329 5DXT 5H5 7.27273
330 3EFS BTN 7.29614
331 3QPB URA 7.44681
332 5F7Y GLC GAL NAG GAL FUC A2G 7.5
333 5F7N NAG GAL FUC FUC A2G 7.5
334 4NS0 PIO 7.5188
335 5FCF GLY GLY GLY 7.53247
336 3UEC ALA ARG TPO LYS 7.53425
337 1SU2 ATP 7.54717
338 2PR5 FMN 7.57576
339 2GQS ADP 7.59494
340 1RDS GPC 7.61905
341 2PFC PLM 7.65027
342 5D9G GLU ASN LEU TYR PHE GLN 7.72358
343 4H2W AMP 7.76699
344 4RD0 GDP 7.79221
345 3X01 AMP 7.79221
346 1IA9 ANP 7.85714
347 4IX4 ADP 8
348 5SVV FMN 8.0292
349 4I94 ANP 8.05195
350 5LXT ACP 8.05195
351 4ZU4 4TG 8.10811
352 4LCN GNG 8.12183
353 5JAX 6J7 8.14815
354 6CGZ HL6 8.15603
355 3TDV GDP 8.16993
356 1Y60 H4M 8.28402
357 4OAV ACP 8.31169
358 2F9W PAU 8.31169
359 2V58 LZJ 8.31169
360 5C8W PCG 8.39161
361 6DW2 HD4 8.43882
362 3DG6 MUC 8.44687
363 4HN1 TYD 8.45771
364 2Z6D FMN 8.46154
365 3CM2 X23 8.46154
366 2Z6C FMN 8.52713
367 1BC5 ACE ASN TRP GLU THR PHE 8.55019
368 4YVN EBS 8.57143
369 1XNG ATP 8.58209
370 3W0O ADP 8.59599
371 3W0O HY0 8.59599
372 5EO8 TFU 8.68167
373 2ED4 NAD 8.72483
374 3THR C2F 8.87372
375 1WEI ADE 8.88889
376 5EZU MYR 8.98876
377 5M06 ADP 9.05797
378 4XH0 ADP 9.09091
379 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 9.13242
380 5HWV MBN 9.23077
381 6DZN AE3 9.38967
382 3WUD GLC GAL 9.55882
383 2RDE C2E 9.56175
384 5KEW 6SB 9.57447
385 2V0U FMN 9.58904
386 4AZW ATP 9.61039
387 3FIU POP 9.63855
388 3FIU AMP 9.63855
389 5EFW FMN 9.65517
390 5DJU FMN 9.65517
391 3P7N FMN 9.68992
392 4H6B 10X 9.74359
393 5TPV TYD 9.80392
394 2FUE M1P 9.92366
395 5KJW 53C 10.1299
396 1NE6 SP1 10.2473
397 4ZS4 ATP 10.4235
398 3ZO7 K6H 10.6383
399 4WW7 AMP 10.6952
400 3VPB ADP 10.7143
401 2W5P CL8 10.7383
402 5ODY 9SK 10.8696
403 4Y24 TD2 11.039
404 1J3R 6PG 11.0526
405 1IS3 LAT 11.1111
406 5FQK 6NT 11.1524
407 2JIG PD2 11.1607
408 4K90 MLA 11.1628
409 2GC0 PAN 11.1702
410 1X0P FAD 11.1888
411 3SAO DBH 11.25
412 2Y69 CHD 11.25
413 3SAO NKN 11.25
414 1DBT U5P 11.2971
415 1MH5 HAL 11.3043
416 5TBM 79A 11.3043
417 5DJT FMN 11.4754
418 5B09 4MX 11.5385
419 1ZTH ADP 11.6279
420 1ZP9 ATP 11.6279
421 3PDT ADP 11.6364
422 6GBV FMN 11.6438
423 5O3Q CMP 11.6667
424 6AC9 ANP 11.8919
425 4Q5H ANP 12.069
426 1QAW TRP 12.1622
427 3I8T LBT 12.1951
428 3VHE 42Q 12.2563
429 2XG5 EC2 12.3853
430 2XG5 EC5 12.3853
431 3WUC GLC GAL 12.4088
432 1TQP ATP 12.4113
433 5BV6 35G 12.5
434 3H0L ADP 12.766
435 4O4F ATP 12.9032
436 4O4F IHP 12.9032
437 4L4V 1VY 13.1313
438 3KMW ATP 13.1783
439 3UIM ANP 13.1902
440 2FB3 MET 13.2353
441 3RGA LSB 13.4276
442 4RYV ZEA 13.5484
443 1PJ6 FOL 13.7662
444 3Q60 ATP 14.2857
445 2X2M X2M 14.3312
446 3PVW QRX 15.0649
447 5K2M ADP 15.0943
448 1M6P M6P 15.1316
449 5ZCO CHD 15.2174
450 5W97 CHD 15.2174
451 5VX9 FUC GAL NAG GAL BGC 15.528
452 5WNL STU 16.0819
453 3GNI ATP 17.6623
454 1VJY 460 18.1518
455 4FL3 ANP 18.1818
456 1GP6 SIN 18.5393
457 1GP6 DH2 18.5393
458 4ITH RCM 19.7279
459 4HIA FMN 19.8864
460 4HEE 14R 20
461 6GZD LCI 20.0535
462 1KQW RTL 20.1493
463 4O9S 2RY 20.4651
464 4LRJ ANP 20.7101
465 4EUU BX7 21.0031
466 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 21.0526
467 4Y85 499 21.988
468 1GT4 UNA 22.0126
469 4CLI 5P8 22.3242
470 5VC5 96M 22.4914
471 4G17 0VN 22.7273
472 5T8O 76Z 22.9226
473 5OKT 9XK 23.2484
474 5QIN J2V 23.7342
475 3C1X CKK 23.8606
476 4U44 3D9 24.0964
477 4OGQ 1O2 24.1379
478 4OTH DRN 24.3402
479 4Y93 746 24.4156
480 4P5Z Q7M 24.6537
481 3VRY B43 24.6753
482 4Y0X ADP 24.8
483 4BTK DTQ 24.9258
484 4DC2 ADE 24.9351
485 5U6C 7YS 25.0794
486 4L9I 8PR 25.1948
487 4PNI KQQ 25.1948
488 2CSN CKI 25.2525
489 3PP0 03Q 25.4438
490 6ES0 BW8 25.552
491 5TA6 79D 25.6983
492 2PZI AXX 25.7143
493 3V8S 0HD 25.7143
494 6GWR FEW 25.7143
495 4ASE AV9 25.779
496 5UKL SIX 25.8065
497 4OH4 ANP 25.8258
498 4IDT T28 25.8427
499 2OO8 RAJ 25.8675
500 5LPZ ADP 25.9036
501 4WNK 453 25.974
502 5JFS 6K0 25.974
503 6C0T EE4 26.2248
504 4UAL 3FV 26.2338
505 4E93 GUI 26.2599
506 4NFN 2KC 26.5372
507 5LI9 ACP 27.1429
508 3KRL KRL 27.1642
509 4KBA 1QM 27.1903
510 5W4W 9WG 27.1903
511 2F2U M77 27.2727
512 2R5T ANP 27.3458
513 4F9C 0SX 27.4238
514 3FC2 IBI 27.4627
515 3TXO 07U 27.4788
516 4UXL 5P8 27.6398
517 5HCY 60D 27.7946
518 4FF8 14S 27.8638
519 1U59 STU 27.8746
520 2H8H H8H 28.0519
521 1Y57 MPZ 28.0519
522 5EOB 5QQ 28.2132
523 4K33 ACP 28.3077
524 2PVF ACP 28.4431
525 3H9R TAK 28.4848
526 3GQI ACP 28.5276
527 4Y8D 49J 28.5294
528 1U5R ATP 28.7356
529 3TKI S25 28.7926
530 4AG8 AXI 28.7975
531 5LI1 ANP 28.8136
532 2HY0 306 28.882
533 5LPB ADP 29.0541
534 4YMJ 4EJ 29.2763
535 6BXI ANP 29.4294
536 4N70 2HX 29.5732
537 4X7Q 3YR 29.8077
538 5HVJ ANP 29.8413
539 4U0I 0LI 29.8413
540 5UR1 YY9 29.9035
541 4QMN DB8 30
542 3RI1 3RH 30.0319
543 3LXN MI1 30.1887
544 4BHN BH9 30.2395
545 4YZN 4K5 30.3136
546 4WB7 ATP 30.3896
547 3DLS ADP 30.4478
548 5JGA 6KC 30.4762
549 3GGF GVD 30.5648
550 5DRB 5FJ 30.5842
551 3HMO STU 30.7018
552 3LQV ADE 30.7692
553 5AX9 4KT 30.8442
554 3CY2 MB9 30.8917
555 6GIN IR2 30.897
556 1BYG STU 30.9353
557 6FYL 3NG 31.1295
558 5JKG 6LF 31.1897
559 3PLS ANP 31.2081
560 3NW7 LGV 31.2704
561 4E1Z 0MX 31.2715
562 6GQM F8H 31.4024
563 4GJ3 0XP 31.457
564 4AT3 LTI 31.7726
565 3FHR P4O 31.8452
566 5DBX ANP 32.0122
567 1K3A ACP 32.107
568 3LXK MI1 32.1101
569 5WO4 B7V 32.1192
570 4M69 ANP 32.1555
571 6CQF F97 32.3232
572 1OPK P16 32.4675
573 5VCV 1N1 32.4759
574 4USF 6UI 32.5658
575 1FMB HYB 32.6923
576 3C0G 3AM 32.7635
577 2XVD AS6 32.7815
578 3SXS PP2 32.8358
579 5KO1 6UY 32.8622
580 4JR7 GNP 32.8877
581 3EKK GS2 32.899
582 5N87 N66 32.9073
583 3BU5 ATP 33.0065
584 1XJD STU 33.0435
585 5MJA 7O3 33.1148
586 3FHI ANP 33.1429
587 1RE8 BD2 33.1429
588 2QCS ANP 33.1429
589 3IDB ANP 33.1429
590 3GJ4 GDP 33.3333
591 3ORK AGS 33.4405
592 4WB6 ATP 33.7143
593 6C7Y ADP 33.9161
594 6E2O S0L 34.2373
595 2GU8 796 34.4214
596 5Y80 IRE 34.5048
597 4L3L 5FI 34.5395
598 4YZC STU 34.5455
599 4A4X JUP 34.767
600 2Z7R STU 34.891
601 5FBN 5WF 35.0554
602 2HK5 1BM 35.1852
603 4WNP 3RJ 35.1916
604 1PHK ATP 35.5705
605 2RIO ADP 35.5844
606 1ZY5 ANP 35.6436
607 3ALN ANP 35.7798
608 4G31 0WH 35.786
609 3HZT J60 35.8442
610 3IGO ANP 35.8442
611 5CEO 50D 36
612 2YAB AMP 36.0111
613 2A19 ANP 36.2676
614 5TO8 7FM 36.5248
615 5DEY 59T 36.7003
616 4NW6 2NS 36.8421
617 3DAK ANP 36.8966
618 2WU6 DKI 37.0079
619 2OFV 242 37.1841
620 5EH0 5NW 37.2093
621 6F3G CJN 37.2881
622 2J7T 274 37.4172
623 5OMY 9YE 37.5959
624 5HES 032 37.785
625 3MVH WFE 38.0117
626 3G5D 1N1 38.1119
627 5UIU 8CG 38.6997
628 3BZ3 YAM 38.7681
629 5Y86 HRM 39.2208
630 2WQN ADP 39.3548
631 3M2W L8I 39.4649
632 4ONA UW1 39.7403
633 3E8N ATP 39.8827
634 3E8N VRA 39.8827
635 4CRL C1I 39.9015
636 5DH3 5BS 40
637 2WEL K88 40.0612
638 5UPK ANP 40.1734
639 2Y6O 1N1 40.2062
640 5ZTN CUR 40.5195
641 5NKB 8ZT 40.5229
642 2JDR L20 40.6433
643 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 40.6433
644 4EWH T77 40.7273
645 5MY8 RXZ 40.7311
646 2JLD AG1 40.7792
647 5H2U 1N1 40.824
648 3KN5 ANP 40.9231
649 4CSV STI 41.0909
650 3SRV S19 41.1552
651 5LVP ATP 41.1576
652 1IR3 ANP 41.1765
653 6CZ3 FLJ 41.2879
654 2V7O DRN 41.6667
655 4F4P 0SB 41.7582
656 4BFM ANP 41.9162
657 3ZRM ZRM 42.0485
658 4RFM 3P6 42.1053
659 4C2V YJA 42.1053
660 5IH9 6BF 42.3881
661 4NM5 ADP