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Receptor
PDB id Resolution Class Description Source Keywords
5XVG 2.1 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF PAK4 IN COMPLEX WITH INHIBITOR CZH226 HOMO SAPIENS ATP BINDING POCKET TRANSFERASE
Ref.: STRUCTURE-BASED DESIGN OF 6-CHLORO-4-AMINOQUINAZOLINE-2-CARBOXAMIDE DERIVATIV POTENT AND SELECTIVE P21-ACTIVATED KINASE 4 (PAK4) INHIBITORS. J. MED. CHEM. V. 61 265 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EOH A:604;
A:606;
A:605;
A:603;
A:602;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
46.068 C2 H6 O CCO
EDO A:607;
A:608;
A:609;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
8FX A:601;
Valid;
none;
Ki = 0.009 uM
411.888 C20 H22 Cl N7 O C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XVG 2.1 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF PAK4 IN COMPLEX WITH INHIBITOR CZH226 HOMO SAPIENS ATP BINDING POCKET TRANSFERASE
Ref.: STRUCTURE-BASED DESIGN OF 6-CHLORO-4-AMINOQUINAZOLINE-2-CARBOXAMIDE DERIVATIV POTENT AND SELECTIVE P21-ACTIVATED KINASE 4 (PAK4) INHIBITORS. J. MED. CHEM. V. 61 265 2018
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 5VEF - M77 C14 H17 N3 O2 S c1cc2cnccc....
2 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
3 5VEE ic50 = 779 nM 981 C25 H23 Cl2 F N6 O CCN1c2c(cn....
4 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
5 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
6 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
7 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
8 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
9 5XVG Ki = 0.009 uM 8FX C20 H22 Cl N7 O C[C@@H]1CN....
10 5VED - STU C28 H26 N4 O3 C[C@@]12[C....
11 2X4Z Ki = 18.7 nM X4Z C25 H28 N8 O S Cc1nc2ccsc....
12 5XVA Ki = 0.051 uM 8FU C18 H20 Cl N7 O Cc1cc(n[nH....
13 2CDZ - 23D C19 H24 Cl N7 CCn1cnc2c1....
14 4JDI - ARG ARG ARG ARG SER TRP TYR n/a n/a
70% Homology Family (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 5VEF - M77 C14 H17 N3 O2 S c1cc2cnccc....
2 4APP Ki = 0.064 uM N53 C33 H36 N6 O3 CC1(c2c(c(....
3 5VEE ic50 = 779 nM 981 C25 H23 Cl2 F N6 O CCN1c2c(cn....
4 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
5 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
6 4FII - ARG PRO LYS PRO LEU VAL ASP PRO n/a n/a
7 4NJD ic50 = 0.79 uM NJD C21 H20 N8 O COc1nc(nc(....
8 4JDK - ARG ARG ARG ARG SER TRP TYR n/a n/a
9 5XVG Ki = 0.009 uM 8FX C20 H22 Cl N7 O C[C@@H]1CN....
10 5VED - STU C28 H26 N4 O3 C[C@@]12[C....
11 2X4Z Ki = 18.7 nM X4Z C25 H28 N8 O S Cc1nc2ccsc....
12 5XVA Ki = 0.051 uM 8FU C18 H20 Cl N7 O Cc1cc(n[nH....
13 2CDZ - 23D C19 H24 Cl N7 CCn1cnc2c1....
14 4JDI - ARG ARG ARG ARG SER TRP TYR n/a n/a
15 4KS7 - X4Z C25 H28 N8 O S Cc1nc2ccsc....
16 4KS8 - B49 C22 H27 F N4 O2 CCN(CC)CCN....
17 2F57 - 23D C19 H24 Cl N7 CCn1cnc2c1....
18 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
19 6B16 Ki = 32 nM C7Y C19 H20 N8 C[C@@H](c1....
20 5DFP Ki = 22 nM 59U C28 H32 Cl N7 O CCN1c2c(cn....
21 3FXZ ic50 = 130 nM FLL C30 H18 Cl F N5 O4 Ru c1ccc(cc1)....
22 5IME Ki = 4.6 nM 6BZ C22 H22 Cl N7 O2 CC1=NC=CN(....
23 4ZY6 Ki = 5 nM 4T6 C18 H17 Cl N8 c1cc2c(c(c....
24 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
25 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
26 4ZJJ Kd = 9.9 nM 4OR C24 H29 Cl F N5 O CCN1c2ccc(....
27 5KBR ic50 = 260 nM IPW C22 H20 Cl N5 O c1cc(ccc1C....
28 4ZLO ic50 = 54 uM 4PV C18 H18 F2 N4 CN1CCN(CC1....
29 4ZJI Kd = 340 nM 4OQ C20 H22 Cl F N4 CCN1c2ccc(....
30 5DEY Ki = 3.7 nM 59T C25 H25 Cl N6 O3 Cc1cccc(n1....
31 3Q4Z - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
32 4ZY5 Ki = 26 nM 4T5 C17 H25 N7 c1cnc(nc1N....
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: 8FX; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 8FX 1 1
2 8FU 0.771739 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5XVG; Ligand: 8FX; Similar sites found with APoc: 743
This union binding pocket(no: 1) in the query (biounit: 5xvg.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 1FUT 2GP None
2 5KK4 44E None
3 3LF0 ATP None
4 1C1L GAL BGC None
5 2E1A MSE None
6 5VX5 FUC GAL NAG GAL BGC None
7 4CQK PIO None
8 1Q3P GLU ALA GLN THR ARG LEU None
9 1Y52 BTN None
10 5FUI APY None
11 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
12 2GCG DGY 1.02389
13 3JQ7 DX2 1.04167
14 1I7M CG 1.1236
15 2HZQ STR 1.14943
16 1SDW IYT 1.36519
17 1OFL NGK GCD 1.36519
18 3NKS ACJ 1.36519
19 5NLD LBT 1.43885
20 1SBR VIB 1.5
21 2XOC ADP 1.53257
22 3WG3 A2G GAL NAG FUC 1.68539
23 2FB3 MET 1.70648
24 4MOB ADP 1.70648
25 3HYW DCQ 1.70648
26 2Q7D ANP 1.70648
27 3B1Q NOS 1.70648
28 5JWC 4W0 1.70648
29 1GPM AMP 1.70648
30 3EFS BTN 1.71674
31 3UW5 MAA CHG PRO 0DQ 1.72414
32 2D6M LBT 1.88679
33 2Q8E OGA 2.04778
34 2OS2 OGA 2.04778
35 2YBP 2HG 2.04778
36 2P5B OGA 2.04778
37 5W75 SUC 2.04778
38 1OIJ AKG 2.04778
39 4CC6 L5Y 2.04778
40 2OJW ADP 2.04778
41 1AUA BOG 2.04778
42 4OCJ NDG 2.04778
43 2NZ5 226 2.04778
44 3KV5 OGA 2.04778
45 6GVZ CHO 2.04778
46 3WXL ADP 2.04778
47 2GWH PCI 2.04778
48 5LY2 OGA 2.04778
49 5O9W AKG 2.04778
50 3T1A 5MA 2.04778
51 1OIK AKG 2.04778
52 1R37 ETX 2.04778
53 2WME NAP 2.04778
54 2RCA GLY 2.05479
55 4F8L AES 2.06897
56 4OFG PCG 2.08333
57 4CS9 AMP 2.1164
58 2DC1 CIT 2.11864
59 5TZO 7V7 2.12766
60 5CGE 51F 2.16606
61 4C5N ACP 2.17391
62 4UTW RFW 2.18341
63 1A5Z FBP 2.19436
64 3T4L ZEA 2.22222
65 1BC5 ACE ASN TRP GLU THR PHE 2.23048
66 3EXS 5RP 2.26244
67 4HIA FMN 2.27273
68 5HV0 AKG 2.30415
69 5GZ9 ANP 2.38908
70 3X01 AMP 2.38908
71 1F9V ADP 2.38908
72 2BMB PMM 2.38908
73 3DNT ATP 2.38908
74 2I6A 5I5 2.38908
75 4YRI 4JH 2.38908
76 1IT7 GUN 2.38908
77 3A23 GAL 2.38908
78 4UCF GLA 2.38908
79 4K37 SAM 2.38908
80 1TD2 PXL 2.43902
81 3MBI HSX 2.43902
82 5NC1 NAG 2.53165
83 3TW1 AHN 2.53165
84 1TZD ADP 2.54545
85 4CSD MFU 2.57353
86 1V3S ATP 2.58621
87 4USI AKG 2.5974
88 4LED XXR 2.61194
89 1LK7 DER 2.62009
90 3KYG 5GP 5GP 2.64317
91 1WLJ U5P 2.6455
92 3ORQ ADP 2.65252
93 5TQZ GLC 2.66667
94 4RT1 C2E 2.67857
95 6CZI 38E 2.67857
96 3KCC CMP 2.69231
97 1GSA ADP 2.73038
98 5VZ0 ADP 2.73038
99 2Z3U CRR 2.73038
100 2VQD AP2 2.73038
101 2WKQ FMN 2.73038
102 3ETH ATP 2.73038
103 4OB6 S2T 2.73038
104 4OJ8 AKG 2.73038
105 1YP4 ADP 2.73038
106 3K5I ADP 2.73038
107 5ENZ UDP 2.73038
108 1X8X TYR 2.73038
109 4I9B NAD 2.73038
110 5XLS URA 2.73038
111 4C2C ALA ALA ALA 2.73038
112 3ROE THM 2.73038
113 1IZC PYR 2.73038
114 5F1V 3VN 2.73038
115 1MJT ITU 2.73038
116 1XF1 CIT 2.73038
117 2R3A SAM 2.73038
118 6F3M ADN 2.73038
119 3WWX DIA 2.73038
120 4FE2 ADP 2.7451
121 4FE2 AIR 2.7451
122 3VKC FPQ 2.7972
123 1QKQ MAN 2.8169
124 3WUC GLC GAL 2.91971
125 3NOJ PYR 2.94118
126 6GNO XDI 2.96296
127 3P2H NOO 2.98507
128 2QV6 GTP 2.98507
129 4WJT NAG 2.99401
130 5OES ADP 3.07167
131 3I0O ADP 3.07167
132 1I7L ATP 3.07167
133 4RD0 GDP 3.07167
134 5COU ATP 3.07167
135 6BMN PAP 3.07167
136 3TDV GDP 3.07167
137 2PUL ACP 3.07167
138 4U98 ACP 3.0837
139 2CDO GAL AAL GAL AAL GAL AAL 3.125
140 3H4V DVP 3.125
141 1HDC CBO 3.14961
142 3OJI PYV 3.1746
143 1O68 KIV 3.27273
144 3T2W BTN 3.27869
145 1NXJ TLA 3.27869
146 4CUB GAL NAG 3.27869
147 5K2M ADP 3.2967
148 6F7X MFU 3.33333
149 5WHU SIA GAL 3.3557
150 2J9D ADP 3.36134
151 3PN1 IVH 3.41297
152 5VLQ ANP 3.41297
153 4WOE ADP 3.41297
154 3W5N RAM 3.41297
155 3JU6 ANP 3.41297
156 2YRX AMP 3.41297
157 1GQG DCD 3.41297
158 5H9Y BGC BGC BGC BGC BGC 3.41297
159 1OBD ATP 3.41297
160 1C1X HFA 3.41297
161 3JQQ A2P 3.41297
162 1I1E DM2 3.41297
163 2HGS ADP 3.41297
164 3JQ3 ADP 3.41297
165 4FMS BDP 3.41297
166 5E62 Z3Q GAL 5N6 3.41297
167 5U7W ADE 3.41297
168 5E65 5N6 GAL 3.41297
169 5WS9 OXL 3.41297
170 5WL1 D3D 3.41297
171 5WL1 CUY 3.41297
172 1BXG HCI 3.41297
173 5O0J 8BR 3.41297
174 1BW9 PPY 3.41297
175 3THR C2F 3.41297
176 2IRY DGT 3.41297
177 1BW9 NAD 3.41297
178 1C1D PHE 3.41297
179 1F52 ADP 3.41297
180 1O9P MLA 3.41297
181 5KWW 6YA 3.41297
182 2V0U FMN 3.42466
183 2FUE M1P 3.43511
184 5DKK FMN 3.44828
185 1VL1 CIT 3.44828
186 3ZJX BOG 3.46021
187 5XEG AKG 3.4632
188 4I9A NCN 3.47222
189 4GGZ BTN 3.47826
190 3P7N FMN 3.48837
191 4JMO JAF 3.5
192 3CBC DBS 3.53535
193 4R38 RBF 3.57143
194 5H20 GLC 3.6036
195 4B1L FRU 3.63636
196 1S9D AFB 3.65854
197 4IAW LIZ 3.7234
198 5VX9 FUC GAL NAG GAL BGC 3.72671
199 1P6O HPY 3.72671
200 1DTL BEP 3.72671
201 5DZT AMP 3.75427
202 5L2R MLA 3.75427
203 4XJ6 GH3 3.75427
204 2IO8 ADP 3.75427
205 4GCZ FMN 3.75427
206 1OFZ FUC 3.75427
207 3RS8 ALA TRP LEU PHE GLU ALA 3.75427
208 4NOS ITU 3.75427
209 2ORO 228 3.75427
210 4D1J DGJ 3.75427
211 1OFZ FUL 3.75427
212 5NM7 GLY 3.7594
213 5FS0 5JC 3.79147
214 2GQS ADP 3.79747
215 2GQR ADP 3.79747
216 2GQS C2R 3.79747
217 4RYV ZEA 3.87097
218 1B09 PC 3.8835
219 4D06 NAR 3.88693
220 5JLB SAH 3.94265
221 5ME4 HP4 4.0146
222 4K55 H6P 4.03226
223 6F9G PUT 4.04984
224 5MW8 ATP 4.09556
225 5KJW 53C 4.09556
226 5EQY 5RA 4.09556
227 3N9P OGA 4.09556
228 2IVD ACJ 4.09556
229 4FE9 GLC GLC BGC GLC GLC GLC GLC 4.09556
230 4E8C GAL 4.09556
231 5JBE MAL 4.09556
232 5XQL C2E 4.12371
233 5DJT FMN 4.13793
234 5EFW FMN 4.13793
235 1RGE 2GP 4.16667
236 5J75 6GQ 4.16667
237 3KMT SAH 4.20168
238 1QK3 5GP 4.29185
239 4MTI 2DX 4.34783
240 4CNO 9PY 4.36508
241 2PFC PLM 4.37158
242 3SAO DBH 4.375
243 1F5F DHT 4.39024
244 4LI4 AMP 4.41176
245 1PVC ILE SER GLU VAL 4.41176
246 5OLK DTP 4.43686
247 4UWH JXM 4.43686
248 4ZS4 ATP 4.43686
249 4Y4V DAL 4.43686
250 1CKM GTP 4.43686
251 6C1S EFV 4.43686
252 6EZ6 C5Z 4.43686
253 1CKN GTP 4.43686
254 1LSH PLD 4.43686
255 3W0O ADP 4.43686
256 3W0O HY0 4.43686
257 5X7Q GLC GLC GLC GLC 4.43686
258 5X7Q GLC GLC GLC GLC GLC 4.43686
259 5AE9 OKO 4.43686
260 4D52 GIV 4.43686
261 4CTA ATP 4.43686
262 1HXD BTN 4.43686
263 4BG4 ADP 4.43686
264 1FP1 HCC 4.43686
265 2BS5 BGC GAL FUC 4.44444
266 1FWV SGA MAG FUC 4.47761
267 5H9Q TD2 4.51613
268 2Y91 98J 4.5283
269 1MDC PLM 4.54545
270 1N9L FMN 4.58716
271 4JGP PYR 4.60829
272 3CM2 X23 4.61538
273 3W9F I3P 4.61538
274 3ZZS TRP 4.61538
275 2XG5 EC5 4.62428
276 2XG5 EC2 4.62428
277 3VPD ANP 4.62633
278 2PEL LBT 4.66102
279 3OQJ 3CX 4.66926
280 2YKL NLD 4.71698
281 3PDT ADP 4.72727
282 2ZHL NAG GAL GAL NAG 4.72973
283 1BHX ASP PHE GLU GLU ILE 4.7619
284 1AUX AGS 4.77816
285 1PK8 ATP 4.77816
286 3V4S ATP 4.77816
287 2ZL7 FUC GAL NGA 4.77816
288 5FI4 5XV 4.77816
289 1U6R IOM 4.77816
290 4B0T ADP 4.77816
291 5DXT 5H5 4.77816
292 3S6X SIA GAL BGC 4.77816
293 3B6R ADP 4.77816
294 3B6R CRN 4.77816
295 3A16 PXO 4.77816
296 1U6R ADP 4.77816
297 1X54 4AD 4.77816
298 2RDE C2E 4.78088
299 3IWD M2T 4.83871
300 2AQX ATP 4.84429
301 4XMF HSM 4.8913
302 5DJU FMN 4.91803
303 3KFF ZBT 4.93827
304 3KFF XBT 4.93827
305 6GG9 FMN 4.93827
306 3I9U DTU 4.94297
307 2W58 ADP 4.9505
308 3VPC ADP 4.96454
309 1CBK ROI 5
310 2QX0 PH2 5.03145
311 1GT4 UNA 5.03145
312 2QHS OCA 5.06329
313 1KDK DHT 5.08475
314 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 5.09259
315 4R78 AMP 5.11945
316 3HAV ATP 5.11945
317 4FFG LBS 5.11945
318 2QK4 ATP 5.11945
319 4PZ6 GMP 5.11945
320 5C1P ADP 5.11945
321 4FFG 0U8 5.11945
322 2V58 LZJ 5.11945
323 2YW2 ATP 5.11945
324 4GNC ASO 5.11945
325 4MXP DB4 5.11945
326 3REU ATP 5.11945
327 3DGY 2GP 5.15464
328 4M7T SAM 5.18518
329 5DYO FLU 5.18868
330 5XQW 8EU 5.21327
331 5TBM 79A 5.21739
332 1OPB RET 5.22388
333 3ZXE PGZ 5.26316
334 4NVP 7CH 5.26316
335 1W2D ADP 5.28302
336 5OCG 9R5 5.29101
337 2II3 CAO 5.34351
338 4OCT AKG 5.40541
339 1QAW TRP 5.40541
340 2XMI FLC 5.42986
341 4RF7 ARG 5.46075
342 4DFU QUE 5.46075
343 4L77 CNL 5.46075
344 1ELI PYC 5.46075
345 1EHI ADP 5.46075
346 3GL0 HXX 5.46075
347 4TXE 38F 5.46075
348 2P3V SRT 5.46875
349 3E81 SLB 5.4878
350 5V3D FCN 5.51724
351 1FAO 4IP 5.55556
352 1S68 AMP 5.62249
353 5H9P TD2 5.6962
354 3NV3 GAL NAG MAN 5.7971
355 3WVR AMP 5.80205
356 1NJJ GET 5.80205
357 3ACL 3F1 5.80205
358 3TY5 ADP 5.80205
359 4M51 BEZ 5.80205
360 5C4L 4XR 5.80205
361 5C4L SIS 5.80205
362 6CGD GNP 5.80205
363 6CGD AKN 5.80205
364 3TY5 ATP 5.80205
365 6EOM ALA LYS 5.80205
366 6EWZ APC 5.90717
367 1U4J MAN 5.9322
368 5E6O TRP GLU GLU LEU 5.9322
369 5TVF CGQ 5.96491
370 3RGA LSB 6.00707
371 6HDT BTN 6.01504
372 5HV7 RBL 6.14334
373 5Y4R C2E 6.14334
374 2OG7 SIN 6.14334
375 3DRW AMP 6.14334
376 6F5W KG1 6.14334
377 2AWN ADP 6.14334
378 4KVL PLM 6.14334
379 6GBV FMN 6.16438
380 1Y7P RIP 6.27803
381 2ZMF CMP 6.34921
382 4BJ8 BTN 6.34921
383 5XLY C2E 6.40569
384 2BKK ADP 6.43939
385 3TM0 ANP 6.46388
386 3TM0 B31 6.46388
387 5JSP DQY 6.46766
388 6GW4 CHO 6.48464
389 5I35 ANP 6.48464
390 1UPR 4IP 6.50407
391 5ODY 9SK 6.52174
392 3O75 F1X 6.61765
393 2QHV OC9 6.66667
394 5W10 CMP 6.66667
395 1NKI PPF 6.66667
396 2W5P CL8 6.71141
397 1NBU PH2 6.72269
398 1FQK ALF 6.80272
399 2PYW ADP 6.82594
400 4IRX INS 6.82594
401 4GYI ADP 6.82594
402 3ZW2 NAG GAL FUC 6.89655
403 5D9G GLU ASN LEU TYR PHE GLN 6.91057
404 1U29 I3P 6.97674
405 1R0X ATP 6.99301
406 3AHW 2AM 7.01754
407 3VPB ADP 7.14286
408 3QXV MTX 7.14286
409 4CYI ATP 7.16724
410 3QO8 SSA 7.16724
411 5LUN OGA 7.16724
412 1YKD CMP 7.16724
413 4OE4 NAD 7.16724
414 2GVJ DGB 7.16724
415 5SVV FMN 7.29927
416 5OVV ACE ILE GLU SER THR GLU ILE 7.31707
417 4CPB GAL CN8 7.43802
418 3H0L ADP 7.44681
419 2ET1 GLV 7.46269
420 4WUJ FMN 7.48299
421 2IF8 ADP 7.50853
422 3KAL HGS 7.50853
423 4OCV ANP 7.50853
424 2I4O ATP 7.50853
425 4PBG BGP 7.50853
426 1QB7 ADE 7.62712
427 1UYY BGC BGC 7.63359
428 5KEW 6SB 7.63889
429 4O4F ATP 7.66129
430 4O4F IHP 7.66129
431 5T7I LAT NAG GAL 7.74194
432 1ZTH ADP 7.75194
433 1ZP9 ATP 7.75194
434 2H7C SIA 7.84983
435 2HRL SIA GAL SIA BGC NGA CEQ 7.87402
436 1WAP TRP 8
437 5VM6 9EG 8.0292
438 5VKI THR NGA GAL NAG 8.125
439 2G30 ALA ALA PHE 8.13953
440 5YJS SAL 8.19113
441 2VPQ ANP 8.19113
442 4BXF AKG 8.19113
443 1SQL GUN 8.21918
444 3KYF 5GP 5GP 8.22511
445 2ISJ FMN 8.26087
446 3QRC SCR 8.28025
447 2PR5 FMN 8.33333
448 2HK9 SKM 8.36364
449 4LO6 SIA GAL 8.42105
450 3SJK LYS PRO VAL LEU ARG THR ALA 8.42105
451 4WW7 AMP 8.42912
452 3BF1 PAU 8.43373
453 4PU5 ANP 8.53242
454 5EXK 5AD 8.53242
455 5EXK MET 8.53242
456 4QDC ASD 8.53242
457 1RDS GPC 8.57143
458 1ULE GLA GAL NAG 8.66667
459 3NZ1 3NY 8.81226
460 5EJL C2E 8.87097
461 4IX4 ADP 8.87372
462 5KBF CMP 8.87372
463 1YXM ADE 8.87372
464 3CF6 SP1 8.98204
465 3TAO PGH 8.98876
466 4JLS 3ZE 9.21053
467 1M6P M6P 9.21053
468 6E2B PT7 9.21053
469 3VOT ADP 9.21502
470 1M0W ANP 9.21502
471 4OAV ACP 9.21502
472 4WCX ALA 9.21502
473 5K21 6QF 9.21986
474 2HKA C3S 9.23077
475 2BVE PH5 9.2437
476 2E27 AB0 9.2437
477 6FX2 FUC C4W NAG BMA MAN NAG GAL 9.30233
478 3T50 FMN 9.375
479 1J3R 6PG 9.47368
480 3K7S R52 9.49721
481 1DZK PRZ 9.55414
482 1T36 ADP 9.55631
483 4XYM A12 9.56522
484 3EW2 BTN 9.62963
485 4Z28 BTN 9.70149
486 5U98 1KX 9.74729
487 5KWY C3S 9.77444
488 2P7Q GG6 9.77444
489 3UDZ ADP 9.89761
490 3HQP OXL 9.89761
491 4PAB THG 9.89761
492 3TA2 AKG 10.1695
493 5F90 LMR 10.2564
494 6FA4 D1W 10.4046
495 1RL4 BRR 10.6383
496 1W8S FBP 10.6464
497 5ACM MBT 10.8108
498 5MRH Q9Z 10.9215
499 1M1B SPV 10.9215
500 3O2K DST 10.9215
501 5I0U DCY 11
502 4Y24 TD2 11.039
503 3U7S 017 11.1111
504 1JQN DCO 11.2628
505 5A0U CHT 11.2628
506 1ZEI CRS 11.3208
507 5KJZ PCG 11.3333
508 43CA NPO 11.5044
509 5ZCT ANP 11.6041
510 1N5S ADL 11.6071
511 3O7J 2AL 11.6402
512 4YLZ LAT NAG GAL 11.7647
513 6F5U CQN 11.9048
514 6G9I CXX 11.9048
515 3TII ANP 11.9454
516 5YK1 ANP 12.2867
517 5CIC 51R 12.963
518 6FL8 ADP 12.9693
519 6FL8 TIY 12.9693
520 5VNF VAL THR SER VAL VAL 12.9693
521 1VRP ADP 12.9693
522 5TDF ADP 12.9693
523 1VRP IOM 12.9693
524 1FDJ 2FP 12.9693
525 4K6B GLU 13.0435
526 1FHX 4IP 13.1783
527 5N0L ILE 13.2075
528 4YEE 4CQ 13.3333
529 2QQC AG2 13.3929
530 1N13 AG2 13.4615
531 1TQP ATP 13.4752
532 4NPL AKG 13.6
533 1IA9 ANP 13.9286
534 5F6U 5VK