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Receptor
PDB id Resolution Class Description Source Keywords
4QMO 1.9 Å EC: 2.-.-.- MST3 IN COMPLEX WITH IMIDAZOLO-OXINDOLE PKR INHIBITOR C16 HOMO SAPIENS PROTEIN KINASE MST3 STK24 STERILE 20-LIKE KINASE ATP-BINNUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINE-TRANSFTRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF DIVERSE SMALL-MOLECULE INHIBITORS OF M STERILE20-LIKE KINASE 3 (MST3). CHEMMEDCHEM V. 11 1137 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:404;
Invalid;
none;
submit data
78.133 C2 H6 O S CS(=O...
CL A:405;
Invalid;
none;
submit data
35.453 Cl [Cl-]
EDO A:401;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
34L A:402;
Valid;
none;
ic50 = 0.019 uM
268.294 C13 H8 N4 O S c1cc2...
PG4 A:403;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QMN 2.09 Å EC: 2.-.-.- MST3 IN COMPLEX WITH BOSUTINIB HOMO SAPIENS PROTEIN KINASE MST3 STK24 STERILE 20-LIKE KINASE ATP-BINNUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINE-TRANSFTRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF DIVERSE SMALL-MOLECULE INHIBITORS OF M STERILE20-LIKE KINASE 3 (MST3). CHEMMEDCHEM V. 11 1137 2016
Members (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 4QMP ic50 = 0.014 uM DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
2 4U8Z - 3FE C17 H15 N5 O c1cc(cc(c1....
3 4QMX ic50 = 11 uM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
4 4QMT ic50 = 0.01 uM H1N C29 H32 N4 O3 S CCS(=O)(=O....
5 4QMM ic50 = 0.46 uM 35R C19 H23 N7 O2 c1cc2c(cc1....
6 4QMU ic50 = 1.3 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
7 4W8E - 3JB C20 H17 N7 O2 Cc1nc(no1)....
8 4QMZ ic50 = 0.21 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
9 4QNA ic50 = 0.023 uM X11 C9 H9 N5 O c1ccc(c(c1....
10 4QMO ic50 = 0.019 uM 34L C13 H8 N4 O S c1cc2c(c3c....
11 4QMW ic50 = 0.086 uM KS1 C17 H17 N7 c1c[nH]c2c....
12 3A7H - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 4QML - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
14 4QO9 ic50 = 0.16 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
15 4QMQ ic50 = 0.26 uM 34U C24 H27 N5 O2 COCCOc1ccc....
16 4QMY ic50 = 0.004 uM STU C28 H26 N4 O3 C[C@@]12[C....
17 3A7J - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 4W8D - 3JA C14 H16 N6 O Cn1cc(cn1)....
19 4QMN ic50 = 0.003 uM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
20 4QMS ic50 = 7.4 uM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
21 4QMV ic50 = 0.023 uM 34W C23 H25 F3 N6 O2 CC(=O)NCC(....
22 3A7I - ADE C5 H5 N5 c1[nH]c2c(....
70% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 4QMP ic50 = 0.014 uM DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
2 4U8Z - 3FE C17 H15 N5 O c1cc(cc(c1....
3 4QMX ic50 = 11 uM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
4 4QMT ic50 = 0.01 uM H1N C29 H32 N4 O3 S CCS(=O)(=O....
5 4QMM ic50 = 0.46 uM 35R C19 H23 N7 O2 c1cc2c(cc1....
6 4QMU ic50 = 1.3 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
7 4W8E - 3JB C20 H17 N7 O2 Cc1nc(no1)....
8 4QMZ ic50 = 0.21 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
9 4QNA ic50 = 0.023 uM X11 C9 H9 N5 O c1ccc(c(c1....
10 4QMO ic50 = 0.019 uM 34L C13 H8 N4 O S c1cc2c(c3c....
11 4QMW ic50 = 0.086 uM KS1 C17 H17 N7 c1c[nH]c2c....
12 3A7H - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 4QML - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
14 4QO9 ic50 = 0.16 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
15 4QMQ ic50 = 0.26 uM 34U C24 H27 N5 O2 COCCOc1ccc....
16 4QMY ic50 = 0.004 uM STU C28 H26 N4 O3 C[C@@]12[C....
17 3A7J - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 4W8D - 3JA C14 H16 N6 O Cn1cc(cn1)....
19 4QMN ic50 = 0.003 uM DB8 C26 H29 Cl2 N5 O3 CN1CCN(CC1....
20 4QMS ic50 = 7.4 uM 1N1 C22 H26 Cl N7 O2 S Cc1cccc(c1....
21 4QMV ic50 = 0.023 uM 34W C23 H25 F3 N6 O2 CC(=O)NCC(....
22 3A7I - ADE C5 H5 N5 c1[nH]c2c(....
23 3GGF - GVD C22 H19 N7 c1ccc2c(c1....
50% Homology Family (420)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3IGO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
2 3NCG - BK1 C19 H19 N5 CC(C)n1c2c....
3 3MWU - BK3 C22 H24 N6 c1ccc2c(c1....
4 2XF0 ic50 = 30 uM 4UB C15 H11 N5 c1ccc(cc1)....
5 2YM6 ic50 = 0.88 uM YM6 C14 H16 N6 O c1cncc2c1c....
6 6FCK ic50 = 0.031 uM D4Z C20 H22 N4 O c1ccc(cc1)....
7 4QYG ic50 = 0.0041 uM 3DW C22 H21 N5 O2 CN1CCN(CC1....
8 3TKH ic50 = 47 nM 07S C23 H27 N7 O2 S c1cc(cnc1)....
9 2XEZ ic50 = 1.5 uM XEZ C12 H9 N7 c1c[nH]nc1....
10 2HXL ic50 = 12 nM 422 C23 H24 N6 c1cc2c(cc1....
11 5OQ7 ic50 = 0.8743 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
12 5F4N ic50 = 2.2 nM 5UY C17 H19 N7 O3 COC(=O)c1c....
13 2E9N ic50 = 6.2 nM 76A C29 H27 N3 O3 c1cc(ccc1c....
14 2YM3 ic50 = 1.2 uM YM3 C14 H19 N5 O3 CCOC(=O)c1....
15 2YDI - YDI C16 H20 N4 O3 S CN(C)CCOc1....
16 5OP5 ic50 = 0.4964 uM 3FE C17 H15 N5 O c1cc(cc(c1....
17 3NLB ic50 = 35 nM 5BE C21 H28 N6 O Cc1c(c([nH....
18 3JVR Ki = 1.89 uM AGX C16 H13 Cl2 N3 O2 C[C@@H](c1....
19 2WMX ic50 = 0.86 uM ZY6 C17 H19 N5 O c1ccc(cc1)....
20 2C3J Ki = 0.659 uM DBQ C11 H11 N5 O2 c1c[nH]c2c....
21 2YM7 ic50 = 0.13 uM YM7 C15 H18 N8 c1c(ncnc1N....
22 2X8I ic50 = 0.19 uM X8I C17 H13 N3 O2 CC1=CC2=NN....
23 2YDJ ic50 = 0.005 uM YDJ C17 H19 F N4 O2 S c1cc(cc(c1....
24 4QYE ic50 = 1.2 uM 3DL C17 H12 N2 O3 c1cc(cc(c1....
25 5OP7 - A1K C19 H21 Cl N6 O3 CNc1c2c(c[....
26 5OOP - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
27 5OPR ic50 = 5.8506 uM A3E C21 H26 N6 O CC(C)n1cc(....
28 2BRG ic50 = 6.1 uM DFY C21 H19 N3 O2 CN(CCO)c1c....
29 5OQ5 ic50 = 0.052 uM 4K4 C31 H38 N8 O3 CN1CCN(CC1....
30 2CGU ic50 = 13.4 uM 3A3 C17 H13 N O7 c1cc-2c(cc....
31 2WMR ic50 = 52 uM ZYR C10 H10 N2 O S C1CCc2c(c3....
32 3PA5 ic50 = 2 nM C73 C17 H19 Cl N4 O2 S c1cc(ccc1c....
33 2WMV ic50 = 9.2 uM ZYV C10 H14 N6 O c1[nH]c2c(....
34 5OQ8 ic50 = 4.0577 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
35 2CGX ic50 = 15.6 uM 3D3 C7 H8 N6 O S c1nc(c2c(n....
36 4QYF - 3DV C17 H13 N3 O3 c1cc(cc(c1....
37 5OPS ic50 = 1.9827 uM A3Q C14 H9 N3 O c1cc(cc(c1....
38 3JVS Ki = 0.146 uM AGY C22 H22 N4 O4 CC(C)(C)c1....
39 2WMW ic50 = 0.39 uM ZYW C11 H14 Br N5 O c1c2c(c(cn....
40 2BR1 Ki = 7.2 uM PFP C22 H21 N3 O4 COc1ccc(cc....
41 2C3L Ki = 0.026 uM IDZ C14 H10 N4 c1ccc2c(c1....
42 5OP2 ic50 = 0.5543 uM A0Q C24 H26 N4 O2 CN1CCN(CC1....
43 2X8E ic50 = 0.014 uM X8E C16 H12 N4 O CC1=CC2=NN....
44 2X8D ic50 = 0.8 uM X8D C11 H9 N3 O CC1=CC2=NN....
45 2YEX ic50 = 0.0001 uM YEX C15 H12 N4 O CC1=CC2=NN....
46 2BRM Ki = 1.3 uM DFZ C20 H18 N4 O c1ccc(cc1)....
47 1NVQ Ki = 5.6 nM UCN C28 H26 N4 O4 C[C@@]12[C....
48 5OOR - STU C28 H26 N4 O3 C[C@@]12[C....
49 3PA4 ic50 = 3 nM C72 C19 H19 Cl N4 O S c1cc(ccc1c....
50 4RVK ic50 = 13.5 nM 3XK C19 H13 N5 O CC(=O)Nc1c....
51 2HOG ic50 = 0.3 nM 710 C24 H25 N7 O c1cc2c(cc1....
52 6FC8 ic50 = 0.012 uM D4Q C19 H19 F N4 O S c1cc(cc(c1....
53 3LFN Ki = 3160 nM A27 C23 H21 N3 O2 CCCC(=O)Nc....
54 3PY1 Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
55 2A4L ic50 = 0.4 uM RRC C19 H26 N6 O CC[C@H](CO....
56 1Y8Y ic50 = 2 uM CT7 C13 H11 Cl N4 O2 S CS(=O)(=O)....
57 6GUH Kd = 26 nM FB8 C18 H21 N5 O2 S Cc1ncc(n1C....
58 1OIR ic50 = 0.032 uM HDY C23 H26 N6 O2 Cc1c(n2ccc....
59 1PXJ - CK2 C9 H10 N4 S Cc1c(sc(n1....
60 2VTO ic50 = 0.14 uM LZ8 C17 H13 F N4 O2 c1ccc(cc1)....
61 2BTR ic50 = 95 nM U73 C13 H15 N3 O S CC(C)C1=CN....
62 2VTA ic50 = 185 uM LZ1 C7 H6 N2 c1ccc2c(c1....
63 3EZR - EZR C26 H27 N7 O CN1CCN(CC1....
64 3ULI ic50 = 0.07 uM 1N3 C21 H25 Br N6 O2 COc1ccc(cc....
65 2DS1 ic50 = 6.4 nM 1CD C22 H21 N5 O3 C[C@@H]1C[....
66 5FP5 - 1Y6 C7 H5 F O2 c1cc(ccc1C....
67 2VTH ic50 = 120 uM LZ2 C10 H9 N O3 S c1cc2c(ccc....
68 1KE5 ic50 = 560 nM LS1 C16 H15 N3 O3 S CNS(=O)(=O....
69 3FZ1 - B98 C13 H15 N3 O2 S COc1ccc2c(....
70 1WCC ic50 = 350 uM CIG C4 H4 Cl N3 c1c(nc(cn1....
71 1PXO Ki = 2 nM CK7 C14 H12 N6 O2 S Cc1c(sc(n1....
72 1H00 ic50 = 38 uM FAP C21 H23 F2 N5 O2 CN(C)C[C@@....
73 2R3R - 6SC C18 H14 Br N5 c1ccc(cc1)....
74 1B39 Kd = 0.12 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
75 3PXF Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
76 3TI1 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
77 2R3G ic50 = 800 nM SC9 C18 H14 F N5 c1ccc(c(c1....
78 2C69 ic50 = 26 uM CT8 C17 H14 Br N6 c1cc(cc(c1....
79 2VTM ic50 ~ 1 mM LZM C7 H4 N4 c1cnc2c(cn....
80 4ERW - STU C28 H26 N4 O3 C[C@@]12[C....
81 1E1V Ki = 12 uM CMG C12 H17 N5 O c1[nH]c2c(....
82 2VV9 ic50 = 0.017 uM IM9 C23 H29 N7 O2 Cc1ncc(n1C....
83 5IEV - R0N C18 H23 F3 N4 O3 S C[C@H]([C@....
84 4D1X - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
85 5MHQ - 8QT C19 H27 N7 O CC[C@@H]([....
86 2BTS ic50 = 20 nM U32 C12 H15 N3 O2 S2 CC(C)c1cnc....
87 1URW ic50 < 0.003 uM I1P C21 H24 N8 O2 S CN(C)CCCNS....
88 5FP6 - MFZ C11 H7 Cl2 N O c1cc(c2c(c....
89 1CKP - PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
90 1KE6 ic50 = 5.7 nM LS2 C17 H15 N5 O3 S2 CNS(=O)(=O....
91 2C6K ic50 = 0.73 uM DT2 C17 H21 N7 O2 S c1cc(ccc1N....
92 2R3Q - 5SC C19 H16 Br N5 O Cc1ccccc1c....
93 1OIT ic50 < 0.003 uM HDT C17 H14 N6 O2 S c1ccn2c(c1....
94 3NS9 ic50 = 0.003 uM NS9 C20 H27 N5 O3 CC(C)c1cnn....
95 1H01 ic50 = 22 uM FAL C21 H23 Cl2 N5 O2 CN(C)C[C@H....
96 2EXM - ZIP C10 H13 N5 CC(=CCNc1c....
97 4BGH ic50 = 4 nM 3I6 C13 H16 Br N5 O3 S C[C@H](CO)....
98 2R3F ic50 = 500 nM SC8 C18 H13 Cl2 N5 c1cc(c(c(c....
99 1GII - 1PU C17 H16 N4 O2 c1ccnc(c1)....
100 2R64 ic50 = 0.03 uM 740 C23 H27 N5 O3 S c1cc(ccc1C....
101 5A14 - LQ5 C24 H26 F3 N7 O2 CN1CCN(CC1....
102 2C6L ic50 = 0.27 uM DT4 C17 H22 N8 O2 S c1cc(ccc1N....
103 2W06 - FRV C18 H20 N6 O2 S Cc1ncc(n1C....
104 4EZ7 - STU C28 H26 N4 O3 C[C@@]12[C....
105 5D1J ic50 = 48 nM 56H C17 H24 N4 O2 S2 CC(C)(C)c1....
106 5IEY - 6AE C14 H19 N5 O3 S C[C@H]([C@....
107 2VTT ic50 = 0.044 uM LZD C16 H17 F2 N5 O2 c1cc(c(c(c....
108 2VU3 ic50 = 0.047 uM LZE C16 H17 Cl2 N5 O2 c1cc(c(c(c....
109 2B54 - D05 C20 H15 Cl3 N4 O3 CCc1c2c(n(....
110 1GZ8 - MBP C10 H13 N5 O2 CC(C)C(=O)....
111 3PY0 ic50 = 0.13 uM SU9 C13 H11 N3 O2 COc1ccc2c(....
112 2VTR ic50 = 1.5 uM LZB C10 H10 Cl N5 CC(C)Nc1cc....
113 1E1X Ki = 1.3 uM NW1 C11 H17 N5 O2 C1CCC(CC1)....
114 3UNJ ic50 = 11 uM 0BX C17 H14 N4 O2 c1ccc(cc1)....
115 2A0C - CK9 C19 H26 N6 O2 CC[C@H](CO....
116 3TIY - TIY C11 H8 O5 c1c2c(c(c(....
117 2R3I ic50 = 1000 nM SCF C18 H14 F N5 c1ccc(c(c1....
118 1VYZ ic50 = 290 nM N5B C13 H13 N3 O c1ccc(cc1)....
119 3WBL ic50 = 23 uM PDY C20 H26 N6 O CCOc1ccc(c....
120 4RJ3 ic50 = 93 nM 3QS C22 H28 N6 O COC1CCN(CC....
121 2VTN ic50 = 0.85 uM LZ7 C12 H11 F N4 O2 CC(=O)Nc1c....
122 1AQ1 - STU C28 H26 N4 O3 C[C@@]12[C....
123 2C6M ic50 = 0.35 uM DT5 C17 H20 N6 O3 S c1cc(ccc1N....
124 2R3L ic50 = 100 nM SCW C18 H14 Br N5 c1ccc(cc1)....
125 1H08 - BYP BWP n/a n/a
126 1B38 Kd = 0.254 uM ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
127 2B52 ic50 = 8 nM D42 C21 H23 N7 O2 S Cc1c(sc(n1....
128 1PXL - CK4 C16 H13 F3 N4 S Cc1c(sc(n1....
129 3S2P ic50 = 0.068 uM PMU C17 H22 N4 O3 CC(C)c1cc(....
130 2R3O ic50 = 600 nM 2SC C19 H17 N5 O c1ccc(cc1)....
131 3IGG ic50 = 95 nM EFQ C16 H19 N3 O3 COc1ccc(cc....
132 1R78 ic50 = 3 nM FMD C20 H20 F N3 O4 C[C@H]([C@....
133 2FVD Ki = 0.003 uM LIA C18 H21 F2 N5 O4 S COc1ccc(c(....
134 2VTL ic50 = 97 uM LZ5 C10 H9 N3 O c1ccc(cc1)....
135 1KE9 ic50 = 660 nM LS5 C16 H15 N5 O3 S c1ccc2c(c1....
136 1PYE ic50 = 0.32 uM PM1 C21 H13 F2 N3 O2 c1ccc(cc1)....
137 4EZ3 - 0S0 C11 H10 N4 O4 S c1cc(ccc1/....
138 1H07 ic50 = 3 uM MFP C24 H27 Br N6 O2 Cc1ccc(c(c....
139 2B53 ic50 = 0.6 uM D23 C19 H19 F3 N4 CC(C)(C)Nc....
140 6GUK Kd = 725 nM FC8 C19 H24 Cl N7 CCn1cnc2c1....
141 2DUV ic50 = 0.087 uM 371 C19 H17 N O7 S Cc1cc2c(c(....
142 4D1Z - WG8 C13 H10 N2 O3 S c1cc2ccc(n....
143 4ACM Ki = 210 nM 7YG C20 H23 N7 O3 S CN(C)CCNS(....
144 2C5Y ic50 = 0.25 uM MTW C19 H15 N7 O2 c1cc(cc(c1....
145 2R3K ic50 = 100 nM SCQ C18 H14 Br N5 c1ccc(cc1)....
146 2V0D - C53 C9 H7 N3 O S [H]/N=C1/N....
147 2W1H ic50 = 0.052 uM L0F C17 H13 N5 O c1ccc(cc1)....
148 1Y91 ic50 = 0.059 uM CT9 C23 H33 N7 O2 S CC(C)c1cnn....
149 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
150 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
151 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
152 5XVG Ki = 0.009 uM 8FX C20 H22 Cl N7 O C[C@@H]1CN....
153 2ZV2 - 609 C19 H10 N2 O3 c1ccc2c(c1....
154 4ONA ic50 = 0.002 uM UW1 C19 H23 N5 O2 CCOc1ccc2c....
155 4JBV ic50 = 0.003 uM V68 C26 H32 N6 O CC(C)COc1c....
156 3NYV - DTQ C16 H15 N3 O3 COc1cc2c(c....
157 3T3U Ki = 0.0025 uM BK6 C22 H24 N6 O COc1ccc2cc....
158 3KU2 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
159 4M84 ic50 = 0.049 uM 21E C17 H19 N5 O CC(C)(C)n1....
160 3HX4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
161 3UPX Ki = 0.0075 uM B6A C20 H22 N4 O c1ccc(cc1)....
162 3SXF Ki = 0.0025 uM BK5 C20 H21 N5 O CCOc1ccc2c....
163 3T3V Ki = 0.003 uM BK4 C19 H19 N5 O CC(C)n1c2c....
164 3I7B ic50 = 0.066 uM BK1 C19 H19 N5 CC(C)n1c2c....
165 3V5P Ki = 0.011 uM C88 C19 H24 N6 O Cc1cc(ccc1....
166 3V51 - I76 C25 H22 Cl N5 O CC(C)n1c2c....
167 3UPZ - B5A C11 H16 N6 c1c2c(ncnc....
168 3I7C ic50 = 0.018 uM BK2 C19 H19 N5 CC(C)(C)n1....
169 3V5T - UW9 C24 H30 N6 O CCOc1ccc2c....
170 3N51 - BK3 C22 H24 N6 c1ccc2c(c1....
171 5OTO - AQW C24 H23 Cl2 N3 CCc1ccccc1....
172 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
173 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
174 6EII - B5W C22 H23 Cl N c1ccc(cc1)....
175 5CU0 - 54R C18 H21 Cl N2 O CC(=O)NCCC....
176 5H8E ic50 < 0.003 uM 5Y3 C21 H25 N9 O CC(=O)Nc1c....
177 5OWH - B0K C10 H9 Br4 N3 c1nc2c(n1C....
178 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
179 5MOE Kd = 500 uM OQC C11 H10 Cl N O c1cc(c(cc1....
180 5OUE - AVZ C18 H19 Cl N3 c1ccc(cc1)....
181 5MOD Kd = 300 uM 86L C10 H14 Cl N O CC(C)Oc1cc....
182 5OWL - B0K C10 H9 Br4 N3 c1nc2c(n1C....
183 5CU3 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
184 5OTR - AU8 C13 H12 Cl2 N c1ccc(cc1)....
185 4KWP Ki = 0.04 uM EXX C12 H10 Br4 N2 O3 c1nc2c(n1[....
186 5OSL - A9K C13 H12 Cl N O c1ccc(c(c1....
187 5N9N Ki = 0.4 nM KC5 C20 H15 Cl2 N O4 COc1ccc(cc....
188 5CSP Kd = 58 uM 54G C8 H8 O3 Cc1ccc(c(c....
189 5CTP - 54R C18 H21 Cl N2 O CC(=O)NCCC....
190 5MOW - BR9 C5 H6 Br N3 c1c(cnc(c1....
191 4UB7 Ki = 2.5 nM 3G5 C16 H8 Br2 O5 c1cc(ccc1C....
192 5MMF - JMB C16 H19 Cl N CCC[NH2+]C....
193 5OTH - AQ8 C25 H26 Cl N3 O CCc1ccccc1....
194 1PJK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
195 3NSZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
196 5OTI - AOK C25 H26 Cl N3 CCc1ccccc1....
197 3AXW - TID C9 H7 N3 O2 S c1cc(ccc1c....
198 5MO6 - KXZ C19 H21 Cl N2 O3 c1ccc(cc1)....
199 2PVR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
200 3C13 - EMO C15 H10 O5 Cc1cc2c(c(....
201 5CS6 Kd = 630 uM K82 C10 H14 Cl N O CCCOc1ccc(....
202 3PE2 Ki = 0.175 nM E1B C20 H12 N4 O2 C#Cc1cccc(....
203 5CT0 - 54P C16 H18 Cl N O c1ccc(cc1)....
204 5CU6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
205 5M4C - 7EY C16 H14 N2 O2 S2 Cc1ccc(cc1....
206 5MO7 - YRA C16 H17 Cl N2 O c1ccc(cc1)....
207 5N9L Ki = 15 nM 8QH C20 H15 Cl2 N O3 Cc1ccc(cc1....
208 5OT5 - AWK C25 H26 Cl N3 CCc1ccccc1....
209 3OWK ic50 = 1.5 uM 18E C16 H11 Cl N2 O Cc1cnc(c2c....
210 5MMR - H83 C17 H21 Cl N2 c1ccc(cc1)....
211 5MPJ - J2P C15 H17 Cl N CC[NH2+]Cc....
212 5OQU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
213 6GIH - EZN C15 H13 Cl N2 c1cc(c2cc[....
214 5CSV - GAB C7 H7 N O2 c1cc(cc(c1....
215 5MOT - HBD C7 H7 N O2 c1cc(ccc1C....
216 3R0T ic50 = 0.91 nM FU9 C22 H16 F3 N5 O2 c1cc(cc(c1....
217 3PE1 Ki = 0.38 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
218 3JUH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
219 5CLP - 42J C8 H9 Cl2 N c1cc(c(cc1....
220 5ORH Kd = 41 uM A4N C14 H14 Cl N Cc1ccccc1c....
221 3H30 Ki = 29.2 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
222 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
223 5OSZ - AHK C24 H25 Cl N3 CCc1ccccc1....
224 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
225 5OT6 - AJK C19 H20 Cl N2 c1ccc(cc1)....
226 6EHK - AUW C24 H23 Cl2 N3 CCc1ccccc1....
227 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
228 5OS8 - J27 C14 H14 Cl F N Cc1cc(ccc1....
229 5OTY - AUW C24 H23 Cl2 N3 CCc1ccccc1....
230 5OTD - AOW C24 H24 Cl N4 O2 CCc1ccccc1....
231 6GMD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
232 5CVF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
233 5CX9 - 551 C20 H23 Cl N2 O3 COC(=O)CC(....
234 5OUL - AWE C13 H11 Cl F N c1cc(cc(c1....
235 3SHE - I85 C24 H22 F3 N5 O2 c1cc(cc(c1....
236 5IZJ - 6J9 C10 H13 N5 c1c[nH]c2c....
237 3AG9 Ki = 9 nM A02 C40 H70 N18 O9 [H]/N=C(N)....
238 5IZF Kd = 1.7 nM 6J9 AZ1 DAR ACA DAR NH2 n/a n/a
239 2VZ6 - FEF C20 H19 N3 O4 c1ccc2c(c1....
240 2Z7R ic50 = 3 nM STU C28 H26 N4 O3 C[C@@]12[C....
241 4J8M ic50 = 48 nM CJ5 C26 H25 F3 N8 O c1cc(cc(c1....
242 5ORO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
243 5OS4 Kd = 1665 uM A8H C14 H15 N O2 c1ccc(cc1)....
244 6HJJ ic50 = 1.7 uM G7T C26 H24 F4 N6 O2 Cc1cc(ccc1....
245 5ORS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
246 5ORL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
247 5DR9 - 5E2 C16 H9 Br Cl N O2 c1cc(cc(c1....
248 4DEA ic50 = 256 nM NHI C18 H14 N4 O4 c1cc(ccc1C....
249 5DN3 Kd = 3.77 uM 5DN C16 H9 Br F N O2 c1cc(cc(c1....
250 5ORP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
251 4DEE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
252 5OSE Kd = 681 uM A98 C6 H9 N3 O2 S2 CCSc1nnc(s....
253 5DNR - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
254 3UOD Kd = 49 nM 0C3 C18 H13 F3 N4 O2 c1ccc(c(c1....
255 3EFW - AK8 C25 H21 F3 N6 O2 Cc1cc(ccc1....
256 5DT0 - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
257 3UO4 Kd = 299 nM 0C0 C23 H18 N4 O2 c1ccc(cc1)....
258 3UP2 Kd = 40 nM 0C8 C18 H13 F3 N4 O3 c1ccc(c(c1....
259 5ORX ic50 = 308 uM A6H C11 H8 Cl2 N2 O c1cc(c(c(c....
260 5ORN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
261 5OS5 ic50 = 108 uM A8K C12 H10 O2 S c1cc(ccc1O....
262 5DR2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
263 3DJ5 - AK5 C21 H20 Br N5 O3 S COc1ccc(cc....
264 3UOL ic50 = 3.1 nM 0C7 C17 H13 Cl N8 c1ccc(c(c1....
265 3D14 ic50 = 22 nM AK1 C19 H15 F3 N6 O S2 c1cc(cc(c1....
266 5OSD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
267 5OS2 Kd = 1821 uM A7K C13 H21 N2 O c1ccc(c(c1....
268 4BN1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
269 2NP8 ic50 = 42 nM CC3 C21 H18 F3 N5 O c1cc(cc(c1....
270 5ORR ic50 = 899 uM A5Q C9 H6 F3 N3 S c1cc(ccc1c....
271 4JBQ - VX6 C23 H28 N8 O S Cc1cc([nH]....
272 5OS3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
273 5DRD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
274 5DPV - SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
275 5ORZ ic50 = 245 uM A6W C10 H9 N O2 S2 COC(=O)c1c....
276 4UYN ic50 = 2 nM Y3M C25 H22 N4 O4 S CCOC(=O)c1....
277 5DT3 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
278 2WTV Ki = 1.8 nM ZZL C25 H15 Cl F2 N4 O2 c1cc(c(c(c....
279 6HJK ic50 = 25 nM G7W C25 H20 F4 N6 O2 CC(C)n1c2c....
280 3O50 - LJE C24 H17 F3 N4 O2 Cc1cc(ccc1....
281 2J4Z ic50 = 65 nM 626 C23 H24 N6 O2 S CN1CCN(CC1....
282 3LAU ic50 = 0.044 uM OFI C17 H17 N3 O2 CCCC(=O)Nc....
283 3DAJ ic50 = 2.9 uM FXG C22 H29 N7 O2 CCCCNC(=O)....
284 4JBO ic50 = 24 nM WPH C31 H32 N6 O3 CN(C)CCOc1....
285 5ORW Kd = 796 uM A6E C13 H16 F N O2 S c1cc(ccc1O....
286 2C6D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
287 5OS0 Kd = 2792 uM A6Z C12 H15 Cl N3 c1cc(cc(c1....
288 3K5U ic50 = 309 nM PFQ C20 H17 N3 O2 c1ccc(cc1)....
289 4KS7 - X4Z C25 H28 N8 O S Cc1nc2ccsc....
290 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
291 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
292 2OXY - K17 C7 H2 Br4 N2 c1[nH]c2c(....
293 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
294 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
295 1ZOE Ki = 0.04 uM K25 C9 H7 Br4 N3 CN(C)c1[nH....
296 2PVL Ki = 0.024 uM P55 C18 H20 N8 CCN1CCN(CC....
297 1LP4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
298 2PVN Ki = 0.00035 uM P63 C20 H16 N8 O CC(=O)Nc1c....
299 3KXG - K6X C7 H Br5 N2 c12c(c(c(c....
300 3BE9 Ki = 24 nM P04 C19 H21 N7 O c1cc2cc(c1....
301 2OXX - K22 C7 H2 Br4 N2 S c12c(c(c(c....
302 3KXM - K74 C11 H9 Br4 N3 O S CNC(=O)CSc....
303 1LR4 - BEN C7 H8 N2 [H]/N=C(c1....
304 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
305 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
306 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
307 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
308 3EH9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
309 1IG1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
310 5AUW ic50 = 8.9 uM QUE C15 H10 O7 c1cc(c(cc1....
311 5AV2 - KMP C15 H10 O6 c1cc(ccc1C....
312 5AUU ic50 = 21 uM LU2 C15 H10 O6 c1cc(c(cc1....
313 3EHA - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
314 5AV3 - KMP C15 H10 O6 c1cc(ccc1C....
315 5AUT Kd = 6.7 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
316 5AV0 ic50 = 280 uM 47X C15 H10 O5 c1cc(c(cc1....
317 1JKK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
318 3F5U - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
319 5AV4 - GEN C15 H10 O5 c1cc(ccc1C....
320 5AUX ic50 = 10 uM KMP C15 H10 O6 c1cc(ccc1C....
321 5AUV ic50 = 31 uM AGI C15 H10 O5 c1cc(ccc1C....
322 2XK6 - EQH C18 H21 N3 O2 S c1csc(c1C2....
323 2W5A - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
324 5M55 ic50 = 0.24 uM 7GG C17 H20 N6 CCN(CC)/C=....
325 2XNM ic50 = 0.16 uM WGZ C27 H27 F3 N4 O3 S C[C@H](c1c....
326 2XKF ic50 = 0.87 uM BX1 C19 H24 N4 O5 COc1cc(cc(....
327 2JAV ic50 ~ 8 uM 5Z5 C17 H16 Cl N3 O2 Cc1c([nH]c....
328 5M53 ic50 = 0.62 uM 7GJ C21 H26 N6 O2 CN(C)C(=O)....
329 2XK8 ic50 = 2.4 uM 5R1 C21 H21 N3 O6 COc1cc(ccc....
330 2WQO - VGK C21 H20 N2 O5 COc1cc(cc(....
331 2XKE ic50 = 4.2 uM WI2 C17 H20 N4 O3 COc1cccc(c....
332 2XNN - 430 C21 H16 F3 N3 O2 S C[C@H](c1c....
333 2XK7 ic50 = 1.5 uM 30E C21 H28 N4 O5 CC[C@H]1C[....
334 1Z5M ic50 = 30 nM LI8 C23 H31 Br N8 O3 CC(C)(C(=O....
335 5HKM ic50 = 0.013 uM 61Y C16 H15 N7 CCc1cc(nc(....
336 3QD0 ic50 = 0.00000001 M 3Q4 C24 H26 N8 O C[C@@H]1CC....
337 3ORZ - BI4 C27 H26 N4 O2 C[N@]1CCC[....
338 5LVN Kd = 20 uM ADN C10 H13 N5 O4 c1nc(c2c(n....
339 2XCH ic50 = 374 nM CKG C22 H25 N7 O c1c2c(nc(n....
340 4AW0 - MJF C18 H15 Cl O5 c1ccc(cc1)....
341 3OTU - BI4 C27 H26 N4 O2 C[N@]1CCC[....
342 3QCX ic50 = 0.00000001 M 3Q2 C16 H19 N7 O C[C@@H]1CO....
343 1UU3 ic50 = 0.75 uM LY4 C28 H28 N4 O3 CN(C)C[C@@....
344 5LVL Kd = 1.25 uM 537 C14 H8 N2 O c1ccc2c(c1....
345 3QC4 ic50 = 0.002 uM MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
346 3QCY ic50 = 0.00000001 M 3Q3 C22 H22 N8 O2 c1ccc(cc1)....
347 1UU8 ic50 = 9 uM BI1 C25 H24 N4 O2 CN(C)CCCn1....
348 4CT1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
349 4A07 - AZ7 C17 H13 Cl3 N2 O2 c1cc(ccc1[....
350 2X39 ic50 = 30 nM X39 C19 H21 Cl N6 O c1cc(ccc1C....
351 3E87 - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
352 4QNA ic50 = 0.023 uM X11 C9 H9 N5 O c1ccc(c(c1....
353 4QMO ic50 = 0.019 uM 34L C13 H8 N4 O S c1cc2c(c3c....
354 4QMW ic50 = 0.086 uM KS1 C17 H17 N7 c1c[nH]c2c....
355 3A7H - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
356 4QML - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
357 4QO9 ic50 = 0.16 uM 627 C26 H30 N6 O3 CN1CCN(CC1....
358 4QMQ ic50 = 0.26 uM 34U C24 H27 N5 O2 COCCOc1ccc....
359 4EL9 - AFE C21 H20 O10 C[C@H]1[C@....
360 5D9L ic50 = 0.024 uM 583 C15 H12 N2 O2 c1cc(ccc1c....
361 2XK9 ic50 = 0.03 nM XK9 C18 H17 N7 O4 C/C(=NNC(=....
362 2YCS ic50 = 1.36 nM NXP C18 H18 N6 O C/C(=NNC(=....
363 2WTI ic50 = 0.092 uM WTI C18 H15 N3 O3 S c1cc(ccc1c....
364 2YIR ic50 = 0.17 nM YIR C20 H19 N7 O3 [H]/N=C(N)....
365 2XBJ ic50 = 0.86 uM XBJ C23 H27 F N4 O4 CC(C)([C@@....
366 2XM9 ic50 = 0.009 uM LWH C21 H20 N6 O c1ccc2c(c1....
367 2YIQ ic50 = 12.67 nM YIQ C20 H19 N7 O C/C(=NNC(=....
368 2CN5 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
369 3HZT - J60 C22 H27 Cl N4 O2 CCN(CC)CCN....
370 4FG8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
371 5L2S - 6ZV C27 H32 F2 N8 CCN1CCN(CC....
372 4AUA ic50 = 7.2 uM 4AU C12 H9 N3 O c1ccc2c(c1....
373 5K00 ic50 = 7.1 nM 6PV C32 H34 N6 O4 COc1cccc(c....
374 5MAG - 7KC C25 H30 N8 O S Cc1nc2ccsc....
375 5IHC ic50 = 0.013 uM 6BB C20 H21 F N4 O c1ccc(c(c1....
376 6BUU - GLY ARG PRO ARG THR THR ZXW PHE ALA GLU n/a n/a
377 3QKM ic50 = 0.038 uM SM9 C31 H43 N5 O4 S CCOCCN(C[C....
378 3CQU ic50 = 151 nM CQU C15 H13 N7 Cc1[nH]c(n....
379 2WEI ic50 = 3.4 nM VGG C17 H21 N5 Cc1cccc(c1....
380 3C0G - 3AM C10 H14 N5 O7 P c1nc(c2c(n....
381 3MFR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
382 4OTI ic50 = 43 nM MI1 C16 H20 N6 O C[C@@H]1CC....
383 3OFM - 4B0 C9 H7 Br4 N3 O C(Cn1c2c(c....
384 5YF9 - NIO C6 H5 N O2 c1cc(cnc1)....
385 5ONI - 9YE C23 H25 N O3 CC(C)n1c2c....
386 3WF7 ic50 = 206 nM FS9 C18 H17 F3 N6 O c1cc(cc(c1....
387 4L3J - 5FI C19 H21 F3 N6 CCc1cncnc1....
388 3WF6 ic50 = 33 nM FZ9 C18 H16 N6 c1ccc2c(c1....
389 4AU8 ic50 = 551 nM Z3R C11 H8 N2 O2 S3 c1ccc2c(c1....
390 6B16 Ki = 32 nM C7Y C19 H20 N8 C[C@@H](c1....
391 5DFP Ki = 22 nM 59U C28 H32 Cl N7 O CCN1c2c(cn....
392 3FXZ ic50 = 130 nM FLL C30 H18 Cl F N5 O4 Ru c1ccc(cc1)....
393 5IME Ki = 4.6 nM 6BZ C22 H22 Cl N7 O2 CC1=NC=CN(....
394 4ZY6 Ki = 5 nM 4T6 C18 H17 Cl N8 c1cc2c(c(c....
395 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
396 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
397 5JZJ - AN2 C10 H16 N6 O9 P2 c1nc(c2c(n....
398 5AX9 ic50 = 8 nM 4KT C24 H24 N4 O3 COc1ccc(cc....
399 2J7T - 274 C28 H30 Cl N5 O4 S Cc1c([nH]c....
400 4JQE - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
401 4MWH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
402 4LFI - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
403 3GGF - GVD C22 H19 N7 c1ccc2c(c1....
404 4U44 ic50 = 0.008 uM 3D9 C17 H13 N5 c1ccc(cc1)....
405 3DAK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
406 1QL6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
407 1PHK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
408 3M2W ic50 < 0.003 uM L8I C23 H21 F N4 O CN1CC2(C1)....
409 3BHY - 7CP C18 H18 Cl2 N4 O Cn1c2c(ccc....
410 2J90 - IZA C18 H16 F N3 O CC(C)(C)c1....
411 5VJA - DUK C14 H12 Cl N5 O2 S C[C@H](C(=....
412 5A6N ic50 = 2.1 uM U7E C7 H7 N5 O2 S c1cc(cc(c1....
413 6CMJ ic50 = 5 nM F6J C24 H22 N2 O2 CC(C)Cc1cc....
414 2VN9 - GVD C22 H19 N7 c1ccc2c(c1....
415 4EJN ic50 = 0.005 uM 0R4 C33 H26 F N7 O2 CC(=O)Nc1c....
416 4WNO ic50 = 160 nM 3RF C20 H19 N7 c1ccc2c(c1....
417 4WNP ic50 = 8 nM 3RJ C22 H20 N8 c1ccc2c(c1....
418 5CI7 ic50 = 120 nM 51W C18 H24 I N7 O c1cc(cc(c1....
419 2V7O - DRN C25 H23 N5 O2 S [H]/N=C(/N....
420 3AQV - TAK C24 H25 N5 O c1cc(ccc1c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 34L; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 34L 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4QMN; Ligand: DB8; Similar sites found with APoc: 539
This union binding pocket(no: 1) in the query (biounit: 4qmn.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1UYY BGC BGC None
2 1P6O HPY None
3 6GBV FMN None
4 4DD8 BAT 1.44231
5 1AUX AGS 1.6129
6 2QK4 ATP 1.6129
7 3ETH ATP 1.6129
8 2YRX AMP 1.6129
9 3B6R ADP 1.6129
10 3B6R CRN 1.6129
11 2V58 LZJ 1.6129
12 1I7L ATP 1.61812
13 5DEQ ARA 1.75439
14 1TZD ADP 1.81818
15 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 1.82648
16 3GQK ATP 1.84049
17 1W2D ADP 1.88679
18 1W2D 4IP 1.88679
19 5J75 6GQ 1.89394
20 1SDW IYT 1.93548
21 1F9V ADP 1.93548
22 3ORQ ADP 1.93548
23 3SUC ATP 1.93548
24 1E4E ADP 1.93548
25 1A5Z FBP 1.93548
26 2VD9 EPC 1.93548
27 2VD9 IN5 1.93548
28 3KFF ZBT 1.93548
29 3KFF XBT 1.93548
30 2WKQ FMN 1.93548
31 3WV6 GAL GLC 2.02703
32 4ZGP ADP 2.04778
33 5V1B 8UY 2.08333
34 5GLT BGC GAL NAG GAL 2.11268
35 4MLO PAM 2.17391
36 3X01 AMP 2.25806
37 3PN1 IVH 2.25806
38 2YBP 2HG 2.25806
39 2OS2 OGA 2.25806
40 2Q8E OGA 2.25806
41 3W5N RAM 2.25806
42 3OPT AKG 2.25806
43 1F52 ADP 2.25806
44 1FBL HTA 2.25806
45 1VRP ADP 2.25806
46 1DKU AP2 2.25806
47 1VRP IOM 2.25806
48 1CKM GTP 2.25806
49 6CC0 EWM 2.53165
50 4OCV ANP 2.58065
51 5H9Q TD2 2.58065
52 4KYS VIB 2.58065
53 3JQ3 ADP 2.58065
54 2FB3 MET 2.58065
55 2PYW ADP 2.58065
56 4X3R 686 2.58065
57 4C2C ALA ALA ALA 2.58065
58 5C1P ADP 2.61438
59 3SJK LYS PRO VAL LEU ARG THR ALA 2.63158
60 4WUJ FMN 2.72109
61 4M6T SAM 2.73224
62 1JBU BEN 2.75591
63 3RGA LSB 2.82686
64 2IF8 ADP 2.90323
65 3KAL HGS 2.90323
66 2HGS ADP 2.90323
67 5XLS URA 2.90323
68 2AL2 2PG 2.90323
69 2AL2 PEP 2.90323
70 4OUJ LBT 2.9316
71 3ZXE PGZ 3.00752
72 4FE2 ADP 3.13725
73 2QX0 PH2 3.14465
74 2D6M LBT 3.14465
75 4CC6 L5Y 3.22581
76 3TPV ADE 3.22581
77 4ARU TLA 3.22581
78 3JU6 ANP 3.22581
79 3S6X SIA GAL BGC 3.22581
80 3DNT ATP 3.22581
81 3KYG 5GP 5GP 3.22581
82 2GPT SKM 3.22581
83 3W0O HY0 3.22581
84 3W0O ADP 3.22581
85 3T1A 5MA 3.22581
86 1Q19 SSC 3.22581
87 2XYA 7L4 3.2967
88 3KP6 SAL 3.31126
89 5KBF CMP 3.32226
90 3WG3 A2G GAL NAG FUC 3.37079
91 4WVW SLT 3.47222
92 1BKC INN 3.51562
93 5OES ADP 3.54839
94 4WOE ADP 3.54839
95 6C1S EFV 3.54839
96 5L2R MLA 3.54839
97 3TY5 ADP 3.54839
98 3TY5 ATP 3.54839
99 5W75 SUC 3.54839
100 5LUN OGA 3.54839
101 1MJT ITU 3.54839
102 4LRJ ANP 3.5503
103 4RW3 PLM 3.64238
104 4RW3 DKA 3.64238
105 3I8T LBT 3.65854
106 1LNX URI 3.7037
107 4IAW LIZ 3.7234
108 3M3E GAL A2G NPO 3.72671
109 1WW5 SGA BGC 3.75
110 2GQR ADP 3.79747
111 2GQS ADP 3.79747
112 3ZJX BOG 3.80623
113 4UWH JXM 3.87097
114 5VZ0 ADP 3.87097
115 5YJS SAL 3.87097
116 4RYV ZEA 3.87097
117 2VL1 GLY GLY 3.87097
118 2UYQ SAM 3.87097
119 1I06 TZL 3.88889
120 4RDL FUC GAL NDG FUC 3.8961
121 3PNA CMP 3.8961
122 4ZS4 ATP 3.90879
123 1OBD ATP 3.92157
124 3TTZ 07N 4.0404
125 6EZ6 C5Z 4.19355
126 5AE9 OKO 4.19355
127 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 4.19355
128 5X7Q GLC GLC GLC GLC GLC 4.19355
129 5X7Q GLC GLC GLC GLC 4.19355
130 2VFT SOR 4.19355
131 2Z3U CRR 4.19355
132 3L24 GOA 4.19355
133 6A5K SAM 4.19355
134 5T96 79J 4.19355
135 4JX1 CAH 4.19355
136 6CGD AKN 4.2623
137 6CGD GNP 4.2623
138 3PDT ADP 4.36364
139 3SAO DBH 4.375
140 5X80 SAL 4.375
141 2BOS GLA GAL 4.41176
142 3THR C2F 4.43686
143 6GNO XDI 4.44444
144 1Y7P RIP 4.4843
145 3RV5 DXC 4.49438
146 4CYI ATP 4.51613
147 2VPQ ANP 4.51613
148 5EQY 5RA 4.51613
149 6FL8 TIY 4.51613
150 6FL8 ADP 4.51613
151 4F06 PHB 4.51613
152 5MW8 ATP 4.51613
153 1GPJ CIT 4.51613
154 3UDZ ADP 4.51613
155 5Y4R C2E 4.51613
156 4K37 SAM 4.51613
157 1CX4 CMP 4.59016
158 4LA7 A1O 4.66321
159 3FDZ 3PG 4.66926
160 3GP3 SEP 4.66926
161 5OF1 SAL 4.7619
162 1RL4 BRR 4.78723
163 2V0U FMN 4.79452
164 4Z4P SAH 4.81928
165 5EFW FMN 4.82759
166 5KJW 53C 4.83871
167 4RD0 GDP 4.83871
168 2PUL ACP 4.83871
169 5FPN KYD 4.83871
170 2AQX ATP 4.84429
171 5ZCT ANP 4.90196
172 4IEN GDP 4.90798
173 2GTF P1R 5
174 6A63 LAT 5.07246
175 3DGY 2GP 5.15464
176 1NU4 MLA 5.15464
177 1T36 ADP 5.16129
178 4PU5 ANP 5.16129
179 1GSA ADP 5.16129
180 3EHH ADP 5.16129
181 5EXK 5AD 5.16129
182 2PR5 FMN 5.16129
183 3K5I ADP 5.21092
184 2CBO TH2 5.21739
185 1GVF PGH 5.24476
186 2P7Q GG6 5.26316
187 4NS0 PIO 5.26316
188 4CS9 AMP 5.29101
189 2DT9 THR 5.38922
190 2ZL7 FUC GAL NGA 5.42373
191 6MJ7 ARG 5.45455
192 5TDF ADP 5.48387
193 4LIT AKG 5.48387
194 2Q7D ANP 5.48387
195 1JS8 MAN MAN BMA 5.48387
196 4ZDC CO8 5.48387
197 1GPM AMP 5.48387
198 1QKQ MAN 5.6338
199 5I35 ANP 5.80645
200 1YFS ALA 5.80645
201 3R1Z ALA DGL 5.80645
202 1MMQ RRS 5.88235
203 3FUU ADN 5.90406
204 1RM8 BAT 5.91716
205 3T4L ZEA 5.92593
206 2ET1 GLV 5.97015
207 3VPC ADP 6.02837
208 3VPB ADP 6.02837
209 2VQD AP2 6.03448
210 3AI3 SOE 6.08365
211 1S9D AFB 6.09756
212 5VLQ ANP 6.12903
213 3TII ANP 6.12903
214 2G50 PYR 6.12903
215 5Z21 OXM 6.12903
216 2HK9 SKM 6.18182
217 6FA4 D1W 6.35838
218 2GC0 PAN 6.38298
219 5OLK DTP 6.45161
220 3UG4 AHR 6.45161
221 3TDV GDP 6.45161
222 5XNA SHV 6.52174
223 5KBE IPH 6.55022
224 5DJT FMN 6.55738
225 3CBC DBS 6.56566
226 4JLS 3ZE 6.57895
227 2AGC DAO 6.79012
228 4P25 FUC GAL NAG FUC 6.95364
229 5F6U 5VK 7.00637
230 1U6R ADP 7.09677
231 1U6R IOM 7.09677
232 4CFT M48 7.09677
233 4CU1 71S 7.09677
234 5LRT ADP 7.09677
235 4M1U A2G MBG 7.14286
236 2BKK ADP 7.19697
237 1ULE GLA GAL NAG 7.33333
238 5DXT 5H5 7.41935
239 4BG4 ADP 7.41935
240 3MN5 LAB 7.41935
241 5J6Y BGC 7.41935
242 5J6Y GLC 7.41935
243 1WK9 TSB 7.53425
244 5DKK FMN 7.58621
245 1RDS GPC 7.61905
246 4RKK GLC GLC GLC GLC GLC GLC 7.74194
247 3ZGJ RMN 7.74194
248 5AVF TAU 7.7821
249 5DYO FLU 7.79817
250 4XZ3 ACP 7.82609
251 4XYM A12 7.82609
252 3AB4 THR 7.86517
253 2DTJ THR 7.86517
254 4LO6 SIA GAL 7.89474
255 2Z77 NCA 7.91367
256 4R78 AMP 8.09062
257 4WGF HX2 8.29268
258 3WVR AMP 8.3871
259 3V4S ATP 8.3871
260 2XOC ADP 8.42912
261 2Z6C FMN 8.52713
262 1IA9 ANP 8.57143
263 5XEG AKG 8.65801
264 4XMF HSM 8.69565
265 5FI4 5XV 8.70968
266 1LSH PLD 8.70968
267 5VKI THR NGA GAL NAG 8.75
268 4LO2 GAL BGC 8.84354
269 5VNF VAL THR SER VAL VAL 8.9172
270 5KEW 6SB 9.02778
271 1EHI ADP 9.03226
272 2YW2 ATP 9.03226
273 1XL8 152 9.03226
274 5C4L SIS 9.03226
275 5C4L 4XR 9.03226
276 4GCZ FMN 9.03226
277 2P5B OGA 9.09091
278 1Q3P GLU ALA GLN THR ARG LEU 9.17431
279 6EWZ APC 9.2827
280 5NLD LBT 9.35252
281 6EOM ALA LYS 9.35484
282 2IO8 ADP 9.35484
283 5HZX 2GE 9.65909
284 4K55 H6P 9.67742
285 4DFU QUE 9.67742
286 3AKK ADP 9.67742
287 4U98 ACP 9.67742
288 4Y24 TD2 9.74026
289 4WW7 AMP 9.96169
290 5YK1 ANP 10
291 4H6B 10Y 10.2564
292 4H6B 10X 10.2564
293 5LXT ACP 10.3226
294 3NZ1 3NY 10.3448
295 1RGE 2GP 10.4167
296 1I82 BGC BGC 10.582
297 4RJD TFP 10.6061
298 2W5P CL8 10.7383
299 5DZT AMP 10.9677
300 5IM3 DTP 11.2903
301 2XG5 EC5 11.9266
302 2XG5 EC2 11.9266
303 1M0W ANP 11.9355
304 5W7B MYR 12.766
305 3VOT ADP 13.2258
306 1PK8 ATP 13.2258
307 3Q60 ATP 13.5484
308 4O4F ATP 13.7097
309 4O4F IHP 13.7097
310 3H0L ADP 13.8298
311 6E8I PTR 14.2012
312 2XN3 ID8 15
313 4O1P ANP 15.1613
314 5CKW ANP 15.4839
315 1GT4 UNA 15.7233
316 4OAV ACP 15.8065
317 1S5O 152 16.129
318 4ZSI 4R1 16.129
319 2G30 ALA ALA PHE 16.2791
320 3RE4 TO1 17.0543
321 4AZW ATP 17.4194
322 5GZ9 ANP 17.4194
323 1MZV AMP 17.4468
324 3VPD ANP 18.1495
325 5MRH Q9Z 18.3871
326 6AC9 ANP 18.9189
327 2PZI AXX 19.6774
328 6E2B PT7 19.7368
329 3IWD M2T 20.5882
330 5SVV FMN 21.1679
331 4IX4 ADP 22.5806
332 5DMZ ADP 22.9032
333 4Y0X ADP 23.4667
334 1NBU PH2 23.5294
335 4OUC 5ID 24.1935
336 6G34 5ID 24.1935
337 5OMY 9YE 25.0639
338 4XH0 ADP 27.7419
339 4JR7 GNP 28.6096
340 2CSN CKI 28.6195
341 3PE2 E1B 28.7834
342 5YF9 NIO 28.9086
343 2PVN P63 29.2614
344 3UIM ANP 29.3548
345 6FYV 3NG 29.6774
346 6FYL 3NG 29.6774
347 1Q8Y ADE 29.6774
348 1Q8Y ADP 29.6774
349 2QLU ADE 30
350 4UX9 ANP 30
351 3TTI KBI 30
352 4WHZ 3NL 30
353 3PTG 932 30
354 4IJP 1EH 30.3226
355 5AWM ANP 30.3226
356 3E7O 35F 30.3226
357 4G17 0VN 30.3226
358 4IZY 1J2 30.6452
359 4H3P ANP 30.9677
360 4H3Q ANP 30.9677
361 4F9C 0SX 30.9677
362 6BFN DL1 30.9677
363 5W4W 9WG 31.2903
364 4KBA 1QM 31.2903
365 5BVE 4VG 31.2903
366 6GZD LCI 31.2903
367 3GC8 B45 31.9355
368 4WNK 453 31.9355
369 5EKO N17 31.9355
370 5ZTN CUR 32.2581
371 6A1G 9OL 32.5806
372 4I94 ANP 32.5806
373 2JLD AG1 32.5806
374 3F7Z 34O 32.5806
375 3ZRM ZRM 32.5806
376 5Y86 HRM 32.5806
377 4WOV 3SM 32.9032
378 4OTH DRN 32.9032
379 4EUU BX7 32.9032
380 4NM5 ADP 33.3333
381 3KN5 ANP 33.5484
382 4CRL C1I 33.5484
383 5LI1 ANP 33.5484
384 5OKT 9XK 33.758
385 3TXO 07U 33.871
386 5MY8 RXZ 33.871
387 5QIN J2V 33.871
388 5K2M ADP 33.9623
389 3PP0 03Q 34.1936
390 4WB6 ATP 34.1936
391 4X7Q 3YR 34.1936
392 4BTK DTQ 34.1936
393 4NFN 2KC 34.3042
394 1VJY 460 34.3234
395 5M06 ADP 34.4203
396 2GU8 796 34.5161
397 2WU6 DKI 34.5161
398 1RE8 BD2 34.5161
399 2QCS ANP 34.5161
400 3FHI ANP 34.5161
401 4WB7 ATP 34.5161
402 3IDB ANP 34.5161
403 6C0T EE4 34.8387
404 3TKI S25 35.1613
405 5UKL SIX 35.1613
406 4E93 GUI 35.1613
407 2HY0 306 35.1613
408 4G31 0WH 35.4515
409 4AU8 Z3R 35.473
410 3PVW QRX 35.4839
411 4UAL 3FV 35.4839
412 2BPM 529 35.5987
413 3O0G 3O0 35.9589
414 1UNH IXM 35.9589
415 4CFU 2WC 36.3036
416 6GUE FB8 36.4238
417 4QTB 38Z 36.4516
418 4BCQ TJF 36.5448
419 4BCM T7Z 36.5448
420 4BCN T9N 36.6667
421 4N70 2HX 36.7742
422 1XJD STU 36.7742
423 6BXI ANP 36.7742
424 4Q5H ANP 36.7816
425 2XMY CDK 36.9128
426 3RWP ABQ 36.9775
427 5LVP ATP 36.9775
428 5LMK 6ZK 37.037
429 5C03 AGS 37.1345
430 6C7Y ADP 37.4126
431 2Z7R STU 37.4194
432 4NW6 2NS 38.0645
433 5LPZ ADP 38.0645
434 4OH4 ANP 38.0645
435 3FHR P4O 38.3871
436 5UIU 8CG 38.3901
437 5VCV 1N1 38.7097
438 5USZ SKE 38.7543
439 1O9U ADZ 38.8889
440 4IDT T28 39.0323
441 5HQ0 LZ9 39.0728
442 6GU6 1QK 39.0728
443 1IR3 ANP 39.2157
444 5T8O 76Z 39.3548
445 5WNL STU 39.3548
446 3V8S 0HD 39.3548
447 5LPB ADP 39.527
448 3BU5 ATP 39.5425
449 2QQC AG2 39.6226
450 4DC2 ADE 39.6774
451 5IH9 6BF 39.6774
452 4BFM ANP 39.6774
453 3ORK AGS 39.6774
454 2R5T ANP 39.6774
455 2JDR L20 40
456 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 40
457 5LI9 ACP 40
458 4FL3 ANP 40
459 2B9H ADP 40
460 2B9F ADP 40
461 2B9I ADP 40
462 2B9J ADP 40
463 4L3L 5FI 40.1316
464 5HVJ ANP 40.3226
465 2XK9 XK9 40.3226
466 4M69 ANP 40.3226
467 1N13 AG2 40.3846
468 5Y80 IRE 40.6452
469 3MVH WFE 40.9677
470 4L9I 8PR 40.9677
471 5JGA 6KC 41.2903
472 5JZJ AN2 41.4141
473 3HZT J60 41.6129
474 3FC2 IBI 41.6129
475 5TA6 79D 41.6129
476 1K3A ACP 41.806
477 3SRV S19 41.8773
478 6G33 5ID 41.9355
479 4Y8D 49J 41.9355
480 6F3G CJN 42.0339
481 4WNP 3RJ 42.1603
482 4ITH RCM 42.517
483 5X8I SQZ 42.5806
484 3M2W L8I 42.8094
485 3CY2 MB9 42.8571
486 1OUK 084 42.9032
487 4LOO SB4 42.9032
488 2WQN ADP 42.9032
489 2YAK OSV 43.1579
490 5A6N U7E 43.4629
491 4PNI KQQ 43.5484
492 3GQI ACP 43.5484
493 2A19 ANP 43.662
494 2YAB AMP 43.871
495 4FG8 ATP 43.871
496 1PHK ATP 43.9597
497 5EFQ ADP 44.1936
498 6ES0 BW8 44.4795
499 2PVF ACP 44.5161
500 4BHN BH9 44.5161
501 3DLS ADP 44.8387
502 4YZC STU 44.8387
503 5N87 N66 44.8387
504 6CMJ F6J 44.8387
505 4ONA UW1 44.8387
506 2ZV2 609 44.8387
507 3IGO ANP 45.1613
508 3HMO STU 45.1613
509 6GIN IR2 45.1827
510 1ZY5 ANP 45.2145
511 2F2U M77 45.4839
512 3AQV TAK 45.6522
513 4I6H 1C8 45.7792
514 4Y85 499 45.8064
515 2V7O DRN 45.8064
516 5DRB 5FJ 46.0481
517 3C0G 3AM 46.129
518 4C2V YJA 46.3158
519 2VZ6 FEF 46.4516
520 2WEL K88 46.7742
521 1V0O INR 46.875
522 6E2O S0L 47.1186
523 4A4X JUP 47.3118
524 4C2W ANP 47.3118
525 2WEI VGG 47.3868
526 4NST ADP 47.4194
527 2VN9 GVD 47.5083
528 3H9R TAK 47.7419
529 5ODT