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Receptor
PDB id Resolution Class Description Source Keywords
4EQC 2.01 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF PAK1 KINASE DOMAIN IN COMPLEX WITH FRAX INHIBITOR HOMO SAPIENS SERINE/THREONINE KINASE PHOSPHORYLATION ATP-BINDING TRANSTRANSFERASE INHIBITOR COMPLEX
Ref.: FRAX597, A SMALL MOLECULE INHIBITOR OF THE P21-ACTI KINASES, INHIBITS TUMORIGENESIS OF NEUROFIBROMATOSI (NF2)-ASSOCIATED SCHWANNOMAS. J.BIOL.CHEM. V. 288 29105 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:603;
A:602;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
XR1 A:601;
Valid;
none;
ic50 = 0.008 uM
558.097 C29 H28 Cl N7 O S CCN1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DEY 2.1 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF PAK1 IN COMPLEX WITH AN INHIBITOR COMPO HOMO SAPIENS TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DESIGN OF SELECTIVE PAK1 INHIBITOR G-5555: IMPROVIN PROPERTIES BY EMPLOYING AN UNORTHODOX LOW-PK A POLA ACS MED.CHEM.LETT. V. 6 1241 2015
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 4O0R Ki = 0.036 uM X4Z C25 H28 N8 O S Cc1nc2ccsc....
2 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
3 6B16 Ki = 32 nM C7Y C19 H20 N8 C[C@@H](c1....
4 5DFP Ki = 22 nM 59U C28 H32 Cl N7 O CCN1c2c(cn....
5 3FXZ ic50 = 130 nM FLL C30 H18 Cl F N5 O4 Ru c1ccc(cc1)....
6 5IME Ki = 4.6 nM 6BZ C22 H22 Cl N7 O2 CC1=NC=CN(....
7 4ZY6 Ki = 5 nM 4T6 C18 H17 Cl N8 c1cc2c(c(c....
8 3Q53 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
9 4EQC ic50 = 0.008 uM XR1 C29 H28 Cl N7 O S CCN1c2c(cn....
10 4ZJJ Kd = 9.9 nM 4OR C24 H29 Cl F N5 O CCN1c2ccc(....
11 5KBR ic50 = 260 nM IPW C22 H20 Cl N5 O c1cc(ccc1C....
12 4ZLO ic50 = 54 uM 4PV C18 H18 F2 N4 CN1CCN(CC1....
13 4ZJI Kd = 340 nM 4OQ C20 H22 Cl F N4 CCN1c2ccc(....
14 5DEY Ki = 3.7 nM 59T C25 H25 Cl N6 O3 Cc1cccc(n1....
15 3Q4Z - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
16 4ZY5 Ki = 26 nM 4T5 C17 H25 N7 c1cnc(nc1N....
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: XR1; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 XR1 1 1
2 59U 0.461538 0.878378
3 981 0.460317 0.802632
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5DEY; Ligand: 59T; Similar sites found with APoc: 631
This union binding pocket(no: 1) in the query (biounit: 5dey.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
1 4WVW SLT None
2 4V1F BQ1 None
3 1PTR PRB None
4 5FU3 BGC BGC BGC None
5 5ACM MBT None
6 4IBF 1D5 None
7 3KPE TM3 None
8 3KP6 SAL None
9 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
10 3QRC SCR None
11 1FUT 2GP None
12 2P7Q GG6 None
13 4JH6 FCN None
14 3IWD M2T None
15 2D0N PRO SER ILE ASP ARG SER THR LYS PRO None
16 3L1N PLM None
17 5KK4 44E None
18 2UV4 AMP None
19 1X0P FAD None
20 2VPQ ANP 1.3468
21 1OFL NGK GCD 1.3468
22 1OFZ FUC 1.3468
23 1OFZ FUL 1.3468
24 5NLD LBT 1.43885
25 5WGD EST 1.53257
26 5WGQ EST 1.53257
27 5DXE EST 1.53257
28 5DX3 EST 1.53257
29 5DXG EST 1.53257
30 5HYR EST 1.55039
31 2QA8 GEN 1.55039
32 2QZO KN1 1.55039
33 4MG7 27H 1.56863
34 4TUZ 36J 1.56863
35 4MG8 27J 1.56863
36 4MGA 27L 1.56863
37 4MGD 27N 1.56863
38 4MGB XDH 1.56863
39 2DUR MAN MAN 1.58103
40 2BJ4 OHT 1.5873
41 3UUD EST 1.59363
42 4TV1 36M 1.59363
43 5VLQ ANP 1.6835
44 1SDW IYT 1.6835
45 5KJW 53C 1.6835
46 2HGS ADP 1.6835
47 1YKD CMP 1.6835
48 4YGF AZM 1.7094
49 4G86 BNT 1.76056
50 4CSD MFU 1.83824
51 3M3E GAL A2G NPO 1.86335
52 3W5N RAM 2.0202
53 3ORQ ADP 2.0202
54 3WXL ADP 2.0202
55 4RD0 GDP 2.0202
56 3JQ3 ADP 2.0202
57 1YBQ BDH 2.0202
58 3DNT ATP 2.0202
59 1W3T 3GR 2.04082
60 5FIT AP2 2.04082
61 5UMY TNN 2.14286
62 1BC5 ACE ASN TRP GLU THR PHE 2.23048
63 4L4J NAG NAG BMA MAN NAG 2.26244
64 2QES ADE 2.29885
65 2XN5 FUN 2.3569
66 5COU ATP 2.3569
67 5EO8 TFU 2.3569
68 3S6X SIA GAL BGC 2.3569
69 3K5I ADP 2.3569
70 1U6R ADP 2.3569
71 4DK7 0KS 2.42915
72 1RDT L79 2.47934
73 5X80 SAL 2.5
74 1DZK PRZ 2.54777
75 1MZV AMP 2.55319
76 1FM9 9CR 2.57353
77 4M8E 29V 2.5974
78 4POJ 2VP 2.5974
79 5NM7 GLY 2.63158
80 5OCG 9R5 2.6455
81 5GZ9 ANP 2.6936
82 4U98 ACP 2.6936
83 5OES ADP 2.6936
84 3VOT ADP 2.6936
85 4GYI ADP 2.6936
86 5VZ0 ADP 2.6936
87 2PSJ CEI 2.6936
88 5AZC PGT 2.6936
89 4GLW 0XT 2.6936
90 4YVN EBS 2.6936
91 5OSW DIU 2.6936
92 2PNC CLU 2.6936
93 5IM3 DTP 2.6936
94 1CKM GTP 2.6936
95 1E4I NFG 2.6936
96 4DXD 9PC 2.6936
97 1ZTH ADP 2.71318
98 1ZP9 ATP 2.71318
99 4LSJ LSJ 2.71318
100 1M2Z BOG 2.72374
101 2PFC PLM 2.73224
102 6GBV FMN 2.73973
103 3BQD DAY 2.7451
104 4E2J MOF 2.8
105 6FA4 D1W 2.89017
106 4R78 AMP 3.0303
107 3UDZ ADP 3.0303
108 1EHI ADP 3.0303
109 5OLK DTP 3.0303
110 3KLL MAL 3.0303
111 6FL8 TIY 3.0303
112 6FL8 ADP 3.0303
113 5F7J ADE 3.0303
114 3DRW AMP 3.0303
115 4Q0A 4OA 3.0303
116 3GFZ FMN 3.0303
117 2I6A 5I5 3.0303
118 1TT8 PHB 3.04878
119 6BMN PAP 3.05085
120 6A5Y 9CR 3.07018
121 2G30 ALA ALA PHE 3.10078
122 5HCV 60R 3.11284
123 3KU0 ADE 3.18725
124 2GC0 PAN 3.19149
125 3WBD SIA SIA SIA SIA SIA SIA SIA 3.25203
126 1QIN GIP 3.27869
127 5YW5 ADE 3.35196
128 1AUX AGS 3.367
129 3PN1 IVH 3.367
130 3RFA SAM 3.367
131 1PK8 ATP 3.367
132 2WH8 II2 3.367
133 4CC6 L5Y 3.367
134 1TV5 N8E 3.367
135 2Q7D ANP 3.367
136 5MWY YNU 3.367
137 5L7G 6QE 3.367
138 3B4Y F42 3.367
139 2GQR ADP 3.37553
140 4HIA FMN 3.40909
141 4P7X AKG 3.42466
142 4P7X YCP 3.42466
143 2FUE M1P 3.43511
144 3NZ1 3NY 3.44828
145 1S9D AFB 3.44828
146 5JBX COA 3.44828
147 1QY1 PRZ 3.44828
148 6ACS CIT 3.48837
149 5GLT BGC GAL NAG GAL 3.52113
150 1QPR PPC 3.52113
151 2BKK ADP 3.5503
152 4RT1 C2E 3.57143
153 2RDE C2E 3.58566
154 3QH2 3NM 3.61991
155 2YIP YIO 3.62319
156 3W21 AKG 3.663
157 4OCV ANP 3.69393
158 3HAV ATP 3.7037
159 1GSA ADP 3.7037
160 2QK4 ATP 3.7037
161 4UWH JXM 3.7037
162 5C1P ADP 3.7037
163 6E1Q CFA 3.7037
164 6EZ6 C5Z 3.7037
165 5AE9 OKO 3.7037
166 5MRH Q9Z 3.7037
167 5FI4 5XV 3.7037
168 2GJ5 VD3 3.7037
169 5DXT 5H5 3.7037
170 1NKI PPF 3.7037
171 5FPN KYD 3.7037
172 1OKE BOG 3.7037
173 6A5K SAM 3.7037
174 1Q6O LG6 3.7037
175 3THR C2F 3.75427
176 2AQX ATP 3.80623
177 2BHW NEX 3.87931
178 2A3I C0R 3.95257
179 3KYG 5GP 5GP 3.96476
180 2W5P CL8 4.02685
181 4K55 H6P 4.03226
182 2PYW ADP 4.0404
183 5VNF VAL THR SER VAL VAL 4.0404
184 5YJS SAL 4.0404
185 6C1S EFV 4.0404
186 2YRX AMP 4.0404
187 3V4S ATP 4.0404
188 2Z3U CRR 4.0404
189 5O9W AKG 4.0404
190 3CBC DBS 4.0404
191 2R0D 4IP 4.0404
192 4CJN QNZ 4.0404
193 2R09 4IP 4.0404
194 6BR9 6OU 4.0404
195 6DIO CIT 4.0404
196 4RW3 TDA 4.0404
197 4RW3 IPD 4.0404
198 2HHP FLC 4.0404
199 5TT6 ATP 4.0404
200 4ZU4 4TG 4.05405
201 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 4.08163
202 4OR7 25U 4.24242
203 1QXA GLY GLY GLY 4.25532
204 1NHZ 486 4.28571
205 4P6X HCY 4.31373
206 3NV3 GAL NAG MAN 4.34783
207 1NF8 BOG 4.34783
208 1TZD ADP 4.36364
209 6BR8 6OU 4.36508
210 6BR8 PGV 4.36508
211 3SAO DBH 4.375
212 3SAO NKN 4.375
213 5HV7 RBL 4.3771
214 3TDV GDP 4.3771
215 4CYI ATP 4.3771
216 1I7L ATP 4.3771
217 5MW8 ATP 4.3771
218 2IO8 ADP 4.3771
219 3B99 U51 4.3771
220 2OJW ADP 4.3771
221 3ZZH NLG 4.3771
222 4KVL PLM 4.3771
223 5C5T AKG 4.38596
224 2D6M LBT 4.40252
225 3T4L ZEA 4.44444
226 6GNO XDI 4.44444
227 1W2D ADP 4.5283
228 1W2D 4IP 4.5283
229 6GR0 F8W 4.5977
230 5D48 L96 4.60526
231 5ZCT ANP 4.7138
232 2VQD AP2 4.7138
233 4URX FK1 4.7138
234 2WKQ FMN 4.7138
235 5MBC FMN 4.7138
236 6HSP COA 4.7138
237 4D52 GXL 4.7138
238 5C3R AKG 4.7138
239 5C3R HMU 4.7138
240 4K39 SAM 4.7138
241 4UMJ BFQ 4.72973
242 4CS9 AMP 4.7619
243 4WUJ FMN 4.7619
244 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 4.78261
245 1TW4 CHD 4.8
246 1V9T SIN ALA PRO ALA NIT 4.81928
247 2BCG GER 4.85437
248 1UI0 URA 4.87805
249 1NQ7 ARL 4.91803
250 1YRX FMN 4.95868
251 6FS0 E4W 5.03145
252 2E27 AB0 5.04202
253 2PUL ACP 5.05051
254 4MRP GSH 5.05051
255 4FFG 0U8 5.05051
256 4PPF FLC 5.05051
257 3UDG TMP 5.05051
258 1WDK NAD 5.05051
259 5XQW 8EU 5.06912
260 3OYW TDG 5.22388
261 5EJL C2E 5.24194
262 6E2B PT7 5.26316
263 4IAW LIZ 5.31915
264 6CB2 OLC 5.38721
265 5LUN OGA 5.38721
266 6CGD GNP 5.38721
267 6CGD AKN 5.38721
268 3WV6 GAL BGC 5.40541
269 3WV6 GAL GLC 5.40541
270 3ACL 3F1 5.40541
271 5TVI MYR 5.43478
272 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 5.44747
273 3T50 FMN 5.46875
274 5NC1 NAG 5.48523
275 2BS5 BGC GAL FUC 5.55556
276 6F7X MFU 5.55556
277 2Q1H AS4 5.6
278 2XCM ADP 5.60748
279 4IPH 1FJ 5.69106
280 1RDS GPC 5.71429
281 1F9V ADP 5.72391
282 5W1E PHB 5.72391
283 5KBF CMP 5.72391
284 2Q8G AZX 5.72391
285 5W3Y ACO 5.72391
286 3G1Z AMP 5.72391
287 5F6U 5VK 5.73248
288 1UMZ BGC BGC XYS BGC XYS GAL 5.7554
289 4H2X G5A 5.82524
290 5SVV FMN 5.83942
291 3ZJX BOG 5.88235
292 4YLZ LAT NAG GAL 5.88235
293 4LI4 AMP 5.88235
294 3EXS 5RP 5.88235
295 1YYE 196 5.97015
296 3U3U EAH 6.00858
297 1NXJ TLA 6.01093
298 4O4F ATP 6.04839
299 4O4F IHP 6.04839
300 5LX9 OLB 6.06061
301 4RDL FUC GAL NDG FUC 6.06061
302 4DFU QUE 6.06061
303 5C4L 4XR 6.06061
304 1T36 ADP 6.06061
305 5C4L SIS 6.06061
306 4B0T ADP 6.06061
307 6FOF LAT 6.12245
308 3DGY 2GP 6.18557
309 1NU4 MLA 6.18557
310 4OAR 2S0 6.20155
311 4V3I ASP LEU THR ARG PRO 6.22568
312 3VV1 GAL FUC 6.25
313 1RGE 2GP 6.25
314 2GQS ADP 6.32911
315 3F8C HT1 6.34921
316 2YG2 S1P 6.39535
317 5INJ 6C7 6.39731
318 4RF7 ARG 6.39731
319 1VRP ADP 6.39731
320 3TY5 ATP 6.39731
321 4QAC KK3 6.45161
322 1Y2F WAI 6.47482
323 4XYM A12 6.52174
324 4XZ3 ACP 6.52174
325 1C1L GAL BGC 6.56934
326 1U3R 338 6.639
327 1ZM1 BGC BGC BGC 6.639
328 3OLL EST 6.66667
329 4J24 EST 6.66667
330 4J26 EST 6.66667
331 2YJD YJD 6.66667
332 3WVR AMP 6.71141
333 5I35 ANP 6.73401
334 2FB3 MET 6.73401
335 1E4E ADP 6.73401
336 1FDJ 13P 6.73401
337 1IA9 ANP 6.78571
338 5NFB 8VT 6.81818
339 2PR5 FMN 6.81818
340 1MDC PLM 6.81818
341 1QFT HSM 6.85714
342 2ZMF CMP 6.87831
343 2CB8 MYA 6.89655
344 1SU2 ATP 6.91824
345 3LQV ADE 6.95652
346 4FE2 ADP 7.05882
347 4FE2 AIR 7.05882
348 3RGA LSB 7.06714
349 4ZS4 ATP 7.07071
350 3W0O ADP 7.07071
351 3W0O HY0 7.07071
352 1XVB 3BR 7.07071
353 6D28 NEC 7.07071
354 1KGI T4A 7.08661
355 3VPB ADP 7.0922
356 3VPC ADP 7.0922
357 4JLS 3ZE 7.23684
358 3N7S 3N7 7.29167
359 5VM6 9EG 7.29927
360 3KYF 5GP 5GP 7.35931
361 1GU3 BGC BGC BGC BGC BGC 7.38255
362 1M0W ANP 7.40741
363 1GQG DCD 7.40741
364 1LSH PLD 7.40741
365 4P25 FUC GAL NAG FUC 7.40741
366 4PU5 ANP 7.40741
367 1TQP ATP 7.44681
368 2QX0 PH2 7.54717
369 5H9P TD2 7.59494
370 3PDT ADP 7.63636
371 3MBI HSX 7.66551
372 5H9Q TD2 7.74194
373 3OPT AKG 7.74411
374 2VL8 UDP 7.74411
375 4WOE ADP 7.74411
376 3FAL REA 7.89474
377 1MT1 AG2 7.9646
378 4NG2 OHN 7.9646
379 3RY9 1CA 8
380 5DZT AMP 8.08081
381 6F5U CQN 8.08081
382 5Y4R C2E 8.27586
383 5LWY OLB 8.40336
384 5UGH 8AJ 8.41751
385 5H9Y BGC BGC BGC BGC 8.41751
386 4Y24 TD2 8.44156
387 1V3S ATP 8.62069
388 2QL9 CIT 8.67052
389 5ODY 9SK 8.69565
390 4IX4 ADP 8.75421
391 5J75 6GQ 8.75421
392 4GCZ FMN 8.75421
393 5U7W ADE 8.75421
394 5X7Q GLC GLC GLC GLC GLC 8.75421
395 5X7Q GLC GLC GLC GLC 8.75421
396 2ZL7 FUC GAL NGA 8.81356
397 4O9S 2RY 8.83721
398 3KCC CMP 8.84615
399 3KO0 TFP 8.91089
400 3WG3 A2G GAL NAG FUC 8.98876
401 3ZXE PGZ 9.02256
402 4ZU5 THM 9.02778
403 4RYV ZEA 9.03226
404 5TDF ADP 9.09091
405 5K2M ADP 9.15751
406 2XG5 EC2 9.17431
407 2XG5 EC5 9.17431
408 4WW7 AMP 9.1954
409 1NWW HPN 9.39597
410 3AIH BMA MAN MAN 9.67742
411 1G51 AMP 9.76431
412 1Y7P RIP 9.86547
413 4M1U A2G MBG 10
414 2WOR 2AN 10
415 1WW5 SGA BGC 10
416 2YW2 ATP 10.101
417 1NY5 ADP 10.101
418 4XMF HSM 10.3261
419 3ZW2 GLA NAG GAL FUC 10.3448
420 3ZW2 GAL FUC 10.3448
421 3ZW2 NAG GAL FUC 10.3448
422 2Q8E OGA 10.4377
423 2OS2 OGA 10.4377
424 2YBP 2HG 10.4377
425 2P5B OGA 10.4377
426 5XLY C2E 10.5263
427 1I82 BGC BGC 10.582
428 4R38 RBF 10.7143
429 5YK1 ANP 10.7744
430 1OBD ATP 10.7744
431 5XJ7 87O 10.9453
432 4N9I PCG 10.9524
433 5N18 8HZ 11.0092
434 4AZW ATP 11.1111
435 3B6R CRN 11.1111
436 3B6R ADP 11.1111
437 6DZN AE3 11.2676
438 1YC4 43P 11.3636
439 2V77 PAY 11.4478
440 1N5S ADL 11.6071
441 3O2K DST 11.7845
442 5DYO FLU 11.9266
443 3P7N FMN 12.0155
444 4RJD TFP 12.1212
445 5KEW 6SB 12.5
446 5UC4 83S 12.7273
447 2D5X L35 12.766
448 3TII ANP 12.7946
449 1N9L FMN 12.844
450 5LDQ NAP 12.9944
451 5L2R MLA 13.1313
452 1J3R 6PG 13.1579
453 3VPD ANP 13.1673
454 1GT4 UNA 13.2075
455 4OCT AKG 13.5135
456 5XJD 87L 13.6364
457 3I0O ADP 13.8047
458 3X01 AMP 13.8047
459 3H0L ADP 13.8298
460 1QKQ MAN 14.0845
461 5LXT ACP 14.6853
462 6FX0 E9T 15.1515
463 4AZ3 S35 15.4839
464 5M36 9SZ 15.7895
465 2IF8 ADP 15.8249
466 6EHH 2GE 15.9091
467 1FHX 4IP 16.2791
468 5B09 4MX 16.3462
469 3I8T LBT 16.4634
470 5CKW ANP 16.835
471 1VBH PEP 16.835
472 2V0U FMN 17.1233
473 4OGQ 7PH 17.2414
474 4Z4P SAH 18.0723
475 4CU1 71S 18.8552
476 1HBK MYR 19.1011
477 5TBM 79A 19.1304
478 5DKK FMN 20
479 4O1P ANP 20.8754
480 4OAV ACP 21.2121
481 1FCZ 156 22.5532
482 4TVD BGC 22.5589
483 4DM8 REA 23.5955
484 5OKT 9XK 24.5791
485 5EFW FMN 24.8276
486 5DJT FMN 24.8276
487 5DJU FMN 24.8276
488 5C03 AGS 26.5993
489 4WOV 3SM 26.936
490 1DKF BMS 28.0851
491 3KMW ATP 28.4133
492 5LJB RTL 28.8889
493 4KBA 1QM 29.3051
494 5ZCO PGV 30.5085
495 2DYR PGV 30.5085
496 4XH0 ADP 30.9764
497 3UIM ANP 30.9764
498 4Q5H ANP 31.0345
499 6GIN IR2 31.3131
500 3H9R TAK 31.6498
501 4BTK DTQ 31.6498
502 2QLU ADE 31.9865
503 2CSN CKI 31.9865
504 4DC2 ADE 32.6599
505 5LI9 ACP 32.6599
506 5X8I SQZ 32.6599
507 5LI1 ANP 32.6599
508 6G33 5ID 32.6599
509 4CRL C1I 32.6599
510 2WU6 DKI 32.6599
511 1DTL BEP 32.9193
512 6FYL 3NG 33.3333
513 1VJY 460 33.3333
514 6FYV 3NG 33.67
515 5KO1 6UY 33.9223
516 6A1G 9OL 34.0067
517 5LPZ ADP 34.3434
518 5LPB ADP 34.4595
519 6C7Y ADP 34.6154
520 4FL3 ANP 34.6801
521 2A19 ANP 34.8592
522 4WNK 453 35.0168
523 5T8O 76Z 35.0168
524 5QIN J2V 35.3535
525 3WUC GLC GAL 36.4963
526 3PTG 932 36.7003
527 4WHZ 3NL 36.7003
528 6ES0 BW8 36.7003
529 4E93 GUI 37.3737
530 3SRV S19 37.5451
531 4H3P ANP