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Receptor
PDB id Resolution Class Description Source Keywords
5MO8 1.82 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF CK2ALPHA WITH N-(3-(((2-CHLORO-[1,1'-BI YL)METHYL)AMINO)PROPYL)METHANESULFONAMIDE BOUND HOMO SAPIENS CK2ALPHA CK2A FRAGMENT BASED DRUG DISCOVERY HIGH CONCENTRSCREENING SELECTIVE ATP COMPETITIVE INHIBITORS SURFACE ENREDUCTION TRANSFERASE
Ref.: A FRAGMENT-BASED APPROACH LEADING TO THE DISCOVERY NOVEL BINDING SITE AND THE SELECTIVE CK2 INHIBITOR BIOORG. MED. CHEM. V. 25 3471 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C98 A:404;
B:401;
Valid;
Valid;
none;
none;
Kd = 1.64 uM
479.955 C26 H26 Cl N3 O4 c1ccc...
ACT A:402;
A:401;
A:403;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
PO4 A:405;
B:402;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PE2 1.9 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF HUMAN PROTEIN KINASE CK2 IN COMPLEX WIT INHIBITOR CX-5011 HOMO SAPIENS KINASE CK2-INHIBITOR COMPLEX TRANSFERASE TRANSFERASE-TRANINHIBITOR COMPLEX
Ref.: UNPRECEDENTED SELECTIVITY AND STRUCTURAL DETERMINAN NEW CLASS OF PROTEIN KINASE CK2 INHIBITORS IN CLINI TRIALS FOR THE TREATMENT OF CANCER. BIOCHEMISTRY V. 50 8478 2011
Members (93)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 117 families.
1 4FBX - 0TJ GLY ASP ASP ASP ASP ASP n/a n/a
2 5OUU - AWN C22 H20 Cl N3 c1ccc(cc1)....
3 4RLL - E91 C21 H14 N2 O2 c1ccc2c(c1....
4 5CU4 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
5 5ORJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 3MB6 ic50 = 100 nM 01I C16 H8 O6 c1cc2c(cc(....
7 5M4F - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
8 6EHU - B5E C25 H24 F3 N3 CCc1ccccc1....
9 5CVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 3BQC ic50 ~ 2 uM EMO C15 H10 O5 Cc1cc2c(c(....
11 5N9K Ki = 0.4 nM 8QK C20 H13 Cl2 N O4 COc1ccc(cc....
12 5OTQ - AUH C25 H27 N3 O CCc1ccccc1....
13 5CU2 - 54G C8 H8 O3 Cc1ccc(c(c....
14 5MO5 - 4IH C17 H21 Cl N2 O2 S CS(=O)(=O)....
15 5M4I - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
16 5MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 5MOV - HC4 C9 H8 O3 c1cc(ccc1C....
18 5MOH - YTX C9 H10 O4 COc1cc(ccc....
19 5CSH Kd = 270 uM 54E C13 H12 Cl N c1ccc(cc1)....
20 5OTL - AQT C25 H26 Cl N3 O CCc1ccccc1....
21 5ORK Kd = 234 uM A4T C13 H11 Cl F N c1ccc(c(c1....
22 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
23 5OYF - B4Q C25 H27 N3 CCc1ccccc1....
24 5H8G ic50 < 0.003 uM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
25 5OS7 - A8Q C16 H19 Cl N CC(C)c1ccc....
26 5OTZ Kd = 6.5 uM AUT C15 H15 Cl2 N CCc1ccccc1....
27 5OUM - AVK C18 H18 Cl N3 c1ccc(cc1)....
28 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
29 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
30 5OTO - AQW C24 H23 Cl2 N3 CCc1ccccc1....
31 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
32 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
33 6EII - B5W C22 H23 Cl N c1ccc(cc1)....
34 5CU0 - 54R C18 H21 Cl N2 O CC(=O)NCCC....
35 5H8E ic50 < 0.003 uM 5Y3 C21 H25 N9 O CC(=O)Nc1c....
36 5OWH - B0K C10 H9 Br4 N3 c1nc2c(n1C....
37 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
38 5MOE Kd = 500 uM OQC C11 H10 Cl N O c1cc(c(cc1....
39 5OUE - AVZ C18 H19 Cl N3 c1ccc(cc1)....
40 5MOD Kd = 300 uM 86L C10 H14 Cl N O CC(C)Oc1cc....
41 5OWL - B0K C10 H9 Br4 N3 c1nc2c(n1C....
42 5CU3 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
43 5OTR - AU8 C13 H12 Cl2 N c1ccc(cc1)....
44 4KWP Ki = 0.04 uM EXX C12 H10 Br4 N2 O3 c1nc2c(n1[....
45 5OSL - A9K C13 H12 Cl N O c1ccc(c(c1....
46 5N9N Ki = 0.4 nM KC5 C20 H15 Cl2 N O4 COc1ccc(cc....
47 5CSP Kd = 58 uM 54G C8 H8 O3 Cc1ccc(c(c....
48 5CTP - 54R C18 H21 Cl N2 O CC(=O)NCCC....
49 5MOW - BR9 C5 H6 Br N3 c1c(cnc(c1....
50 4UB7 Ki = 2.5 nM 3G5 C16 H8 Br2 O5 c1cc(ccc1C....
51 5MMF - JMB C16 H19 Cl N CCC[NH2+]C....
52 5OTH - AQ8 C25 H26 Cl N3 O CCc1ccccc1....
53 1PJK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
54 3NSZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
55 5OTI - AOK C25 H26 Cl N3 CCc1ccccc1....
56 3AXW - TID C9 H7 N3 O2 S c1cc(ccc1c....
57 5MO6 - KXZ C19 H21 Cl N2 O3 c1ccc(cc1)....
58 2PVR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
59 3C13 - EMO C15 H10 O5 Cc1cc2c(c(....
60 5CS6 Kd = 630 uM K82 C10 H14 Cl N O CCCOc1ccc(....
61 3PE2 Ki = 0.175 nM E1B C20 H12 N4 O2 C#Cc1cccc(....
62 5CT0 - 54P C16 H18 Cl N O c1ccc(cc1)....
63 5CU6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
64 5M4C - 7EY C16 H14 N2 O2 S2 Cc1ccc(cc1....
65 5MO7 - YRA C16 H17 Cl N2 O c1ccc(cc1)....
66 5N9L Ki = 15 nM 8QH C20 H15 Cl2 N O3 Cc1ccc(cc1....
67 5OT5 - AWK C25 H26 Cl N3 CCc1ccccc1....
68 3OWK ic50 = 1.5 uM 18E C16 H11 Cl N2 O Cc1cnc(c2c....
69 5MMR - H83 C17 H21 Cl N2 c1ccc(cc1)....
70 5MPJ - J2P C15 H17 Cl N CC[NH2+]Cc....
71 5OQU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
72 6GIH - EZN C15 H13 Cl N2 c1cc(c2cc[....
73 5CSV - GAB C7 H7 N O2 c1cc(cc(c1....
74 5MOT - HBD C7 H7 N O2 c1cc(ccc1C....
75 3R0T ic50 = 0.91 nM FU9 C22 H16 F3 N5 O2 c1cc(cc(c1....
76 3PE1 Ki = 0.38 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
77 3JUH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
78 5CLP - 42J C8 H9 Cl2 N c1cc(c(cc1....
79 5ORH Kd = 41 uM A4N C14 H14 Cl N Cc1ccccc1c....
80 3H30 Ki = 29.2 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
81 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
82 5OSZ - AHK C24 H25 Cl N3 CCc1ccccc1....
83 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
84 5OT6 - AJK C19 H20 Cl N2 c1ccc(cc1)....
85 6EHK - AUW C24 H23 Cl2 N3 CCc1ccccc1....
86 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
87 5OS8 - J27 C14 H14 Cl F N Cc1cc(ccc1....
88 5OTY - AUW C24 H23 Cl2 N3 CCc1ccccc1....
89 5OTD - AOW C24 H24 Cl N4 O2 CCc1ccccc1....
90 6GMD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
91 5CVF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
92 5CX9 - 551 C20 H23 Cl N2 O3 COC(=O)CC(....
93 5OUL - AWE C13 H11 Cl F N c1cc(cc(c1....
70% Homology Family (136)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 4FBX - 0TJ GLY ASP ASP ASP ASP ASP n/a n/a
2 5OUU - AWN C22 H20 Cl N3 c1ccc(cc1)....
3 4RLL - E91 C21 H14 N2 O2 c1ccc2c(c1....
4 5CU4 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
5 5ORJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
6 3MB6 ic50 = 100 nM 01I C16 H8 O6 c1cc2c(cc(....
7 5M4F - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
8 6EHU - B5E C25 H24 F3 N3 CCc1ccccc1....
9 5CVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 3BQC ic50 ~ 2 uM EMO C15 H10 O5 Cc1cc2c(c(....
11 5N9K Ki = 0.4 nM 8QK C20 H13 Cl2 N O4 COc1ccc(cc....
12 5OTQ - AUH C25 H27 N3 O CCc1ccccc1....
13 5CU2 - 54G C8 H8 O3 Cc1ccc(c(c....
14 5MO5 - 4IH C17 H21 Cl N2 O2 S CS(=O)(=O)....
15 5M4I - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
16 5MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 5MOV - HC4 C9 H8 O3 c1cc(ccc1C....
18 5MOH - YTX C9 H10 O4 COc1cc(ccc....
19 5CSH Kd = 270 uM 54E C13 H12 Cl N c1ccc(cc1)....
20 5OTL - AQT C25 H26 Cl N3 O CCc1ccccc1....
21 5ORK Kd = 234 uM A4T C13 H11 Cl F N c1ccc(c(c1....
22 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
23 5OYF - B4Q C25 H27 N3 CCc1ccccc1....
24 5H8G ic50 < 0.003 uM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
25 5OS7 - A8Q C16 H19 Cl N CC(C)c1ccc....
26 5OTZ Kd = 6.5 uM AUT C15 H15 Cl2 N CCc1ccccc1....
27 5OUM - AVK C18 H18 Cl N3 c1ccc(cc1)....
28 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
29 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
30 5OTO - AQW C24 H23 Cl2 N3 CCc1ccccc1....
31 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
32 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
33 6EII - B5W C22 H23 Cl N c1ccc(cc1)....
34 5CU0 - 54R C18 H21 Cl N2 O CC(=O)NCCC....
35 5H8E ic50 < 0.003 uM 5Y3 C21 H25 N9 O CC(=O)Nc1c....
36 5OWH - B0K C10 H9 Br4 N3 c1nc2c(n1C....
37 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
38 5MOE Kd = 500 uM OQC C11 H10 Cl N O c1cc(c(cc1....
39 5OUE - AVZ C18 H19 Cl N3 c1ccc(cc1)....
40 5MOD Kd = 300 uM 86L C10 H14 Cl N O CC(C)Oc1cc....
41 5OWL - B0K C10 H9 Br4 N3 c1nc2c(n1C....
42 5CU3 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
43 5OTR - AU8 C13 H12 Cl2 N c1ccc(cc1)....
44 4KWP Ki = 0.04 uM EXX C12 H10 Br4 N2 O3 c1nc2c(n1[....
45 5OSL - A9K C13 H12 Cl N O c1ccc(c(c1....
46 5N9N Ki = 0.4 nM KC5 C20 H15 Cl2 N O4 COc1ccc(cc....
47 5CSP Kd = 58 uM 54G C8 H8 O3 Cc1ccc(c(c....
48 5CTP - 54R C18 H21 Cl N2 O CC(=O)NCCC....
49 5MOW - BR9 C5 H6 Br N3 c1c(cnc(c1....
50 4UB7 Ki = 2.5 nM 3G5 C16 H8 Br2 O5 c1cc(ccc1C....
51 5MMF - JMB C16 H19 Cl N CCC[NH2+]C....
52 5OTH - AQ8 C25 H26 Cl N3 O CCc1ccccc1....
53 1PJK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
54 3NSZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
55 5OTI - AOK C25 H26 Cl N3 CCc1ccccc1....
56 3AXW - TID C9 H7 N3 O2 S c1cc(ccc1c....
57 5MO6 - KXZ C19 H21 Cl N2 O3 c1ccc(cc1)....
58 2PVR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
59 3C13 - EMO C15 H10 O5 Cc1cc2c(c(....
60 5CS6 Kd = 630 uM K82 C10 H14 Cl N O CCCOc1ccc(....
61 3PE2 Ki = 0.175 nM E1B C20 H12 N4 O2 C#Cc1cccc(....
62 5CT0 - 54P C16 H18 Cl N O c1ccc(cc1)....
63 5CU6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
64 5M4C - 7EY C16 H14 N2 O2 S2 Cc1ccc(cc1....
65 5MO7 - YRA C16 H17 Cl N2 O c1ccc(cc1)....
66 5N9L Ki = 15 nM 8QH C20 H15 Cl2 N O3 Cc1ccc(cc1....
67 5OT5 - AWK C25 H26 Cl N3 CCc1ccccc1....
68 3OWK ic50 = 1.5 uM 18E C16 H11 Cl N2 O Cc1cnc(c2c....
69 5MMR - H83 C17 H21 Cl N2 c1ccc(cc1)....
70 5MPJ - J2P C15 H17 Cl N CC[NH2+]Cc....
71 5OQU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
72 6GIH - EZN C15 H13 Cl N2 c1cc(c2cc[....
73 5CSV - GAB C7 H7 N O2 c1cc(cc(c1....
74 5MOT - HBD C7 H7 N O2 c1cc(ccc1C....
75 3R0T ic50 = 0.91 nM FU9 C22 H16 F3 N5 O2 c1cc(cc(c1....
76 3PE1 Ki = 0.38 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
77 3JUH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
78 5CLP - 42J C8 H9 Cl2 N c1cc(c(cc1....
79 5ORH Kd = 41 uM A4N C14 H14 Cl N Cc1ccccc1c....
80 3H30 Ki = 29.2 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
81 2ZJW ic50 = 0.04 uM REF C14 H6 O8 c1c2c-3c(c....
82 5OSZ - AHK C24 H25 Cl N3 CCc1ccccc1....
83 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
84 5OT6 - AJK C19 H20 Cl N2 c1ccc(cc1)....
85 6EHK - AUW C24 H23 Cl2 N3 CCc1ccccc1....
86 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
87 5OS8 - J27 C14 H14 Cl F N Cc1cc(ccc1....
88 5OTY - AUW C24 H23 Cl2 N3 CCc1ccccc1....
89 5OTD - AOW C24 H24 Cl N4 O2 CCc1ccccc1....
90 6GMD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
91 5CVF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
92 5CX9 - 551 C20 H23 Cl N2 O3 COC(=O)CC(....
93 5OUL - AWE C13 H11 Cl F N c1cc(cc(c1....
94 2PVH Ki = 0.26 uM P19 C17 H14 N6 c1ccc(cc1)....
95 1M2P - HNA C14 H7 N O6 c1cc2c(c(c....
96 1LPU - BEN C7 H8 N2 [H]/N=C(c1....
97 2QC6 ic50 = 0.1 uM G12 C10 H6 Br2 O3 CC1=C(C(=O....
98 4ANM ic50 = 28 nM WUL C15 H14 Br N3 O3 c1cc2c(cc1....
99 1DAW - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
100 4RLK - E91 C21 H14 N2 O2 c1ccc2c(c1....
101 2OXD - K32 C7 H2 Br4 N2 O c12c(c(c(c....
102 2PVM Ki = 0.36 uM P29 C17 H15 N9 c1ccc(cc1)....
103 1J91 - TBS C6 H Br4 N3 c12c(c(c(c....
104 3FL5 - TXQ C14 H8 O6 c1cc(c(c2c....
105 3PWD ic50 = 0.22 uM CZ0 C14 H9 N O5 CC1=CC(=O)....
106 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
107 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
108 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
109 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
110 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
111 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
112 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
113 2OXY - K17 C7 H2 Br4 N2 c1[nH]c2c(....
114 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
115 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
116 1ZOE Ki = 0.04 uM K25 C9 H7 Br4 N3 CN(C)c1[nH....
117 2PVL Ki = 0.024 uM P55 C18 H20 N8 CCN1CCN(CC....
118 1LP4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
119 2PVN Ki = 0.00035 uM P63 C20 H16 N8 O CC(=O)Nc1c....
120 3KXG - K6X C7 H Br5 N2 c12c(c(c(c....
121 3BE9 Ki = 24 nM P04 C19 H21 N7 O c1cc2cc(c1....
122 2OXX - K22 C7 H2 Br4 N2 S c12c(c(c(c....
123 3KXM - K74 C11 H9 Br4 N3 O S CNC(=O)CSc....
124 1LR4 - BEN C7 H8 N2 [H]/N=C(c1....
125 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
126 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
127 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
128 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
129 5Y9M - NIO C6 H5 N O2 c1cc(cnc1)....
130 5M56 - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
131 5M4U - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
132 5OOI - 9YE C23 H25 N O3 CC(C)n1c2c....
133 3OFM - 4B0 C9 H7 Br4 N3 O C(Cn1c2c(c....
134 5YF9 - NIO C6 H5 N O2 c1cc(cnc1)....
135 5OMY - 9YE C23 H25 N O3 CC(C)n1c2c....
136 5ONI - 9YE C23 H25 N O3 CC(C)n1c2c....
50% Homology Family (199)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 2YM8 ic50 = 0.013 uM YM8 C19 H19 Cl N6 O C[C@H](CN(....
2 5OPU ic50 = 0.1237 uM A3K C15 H12 N4 Cc1cccc(c1....
3 5OP4 ic50 = 0.4476 uM A0T C19 H21 F4 N5 O3 CCNc1c(cnc....
4 2CGW ic50 = 17.3 uM 3C3 C9 H15 N9 O2 CCCn1c(nc(....
5 3F9N ic50 = 1.3 uM 38M C29 H35 Cl N4 O2 S CCCC[C@@H]....
6 4JIK ic50 = 0.039 uM 1KO C18 H19 Cl N6 O c1cc(ccc1c....
7 4QYH ic50 = 0.0013 uM 3DX C22 H20 N6 CN1CCN(CC1....
8 2BRB Ki = 13.7 uM PFQ C20 H17 N3 O2 c1ccc(cc1)....
9 3PA3 ic50 = 1 nM C70 C18 H18 Cl N5 O S c1cc(ccc1c....
10 5OQ6 ic50 = 0.0828 uM 4K4 C31 H38 N8 O3 CN1CCN(CC1....
11 6FCF ic50 = 0.006 uM D58 C20 H22 N4 O S C[C@@H]1[C....
12 2YER ic50 = 0.02 uM TQ1 C15 H12 N4 O2 c1cc([nH]c....
13 2E9O ic50 = 20 nM A58 C25 H27 N3 O2 CC1CCC(CC1....
14 5OPB ic50 = 0.0577 uM A1N C21 H25 N5 O2 C[C@@H]1CN....
15 2WMQ - ZYQ C9 H11 N3 O2 S CC(=O)Nc1n....
16 2BRO ic50 = 1.4 uM DF2 C21 H20 N4 O2 c1ccc(cc1)....
17 2QHN ic50 = 980 nM 582 C13 H13 N3 O CCN1c2cccc....
18 4RVM ic50 = 1 nM 3X7 C23 H21 N5 c1cc(ccc1C....
19 5DLS ic50 = 4.4 nM 5CV C31 H34 N6 O3 CC(C)(CN(C....
20 3TKI ic50 = 0.05 nM S25 C20 H23 N7 O2 S c1cnc(cc1N....
21 2YM5 ic50 = 0.43 uM YM5 C18 H21 N5 O2 c1cc(cc(c1....
22 4HYH ic50 = 1 nM 1AM C22 H22 N6 O3 S COc1ccc2c(....
23 5OPV ic50 = 0.1203 uM A3H C19 H16 N6 Cc1cccc(c1....
24 5OOT ic50 = 0.0681 uM 4K4 C31 H38 N8 O3 CN1CCN(CC1....
25 1NVS Ki = 15 nM UCM C24 H15 N3 O3 c1ccc2c(c1....
26 2YDK ic50 = 0.007 uM YDK C17 H20 N4 O2 S c1ccc(cc1)....
27 3OT3 ic50 = 0.005 uM 22K C16 H20 Br N7 Cn1cc(cn1)....
28 2HXQ ic50 = 144 nM 373 C24 H26 N4 O c1ccc2c(c1....
29 2QHM ic50 = 660 nM 7CS C16 H19 N3 O2 CN1[C@H]2C....
30 2BRH ic50 = 22 uM DFW C20 H15 N3 O3 c1ccc(cc1)....
31 2R0U ic50 = 1 nM M54 C25 H22 N4 O2 c1cc(cc(c1....
32 1NVR Ki = 7.8 nM STU C28 H26 N4 O3 C[C@@]12[C....
33 3OT8 ic50 = 0.009 uM MI5 C19 H22 N8 S Cc1cc(sn1)....
34 2YM4 ic50 = 1.5 uM 4YM C21 H22 N6 O3 CCOC(=O)c1....
35 4HYI ic50 = 2 nM 1AO C21 H20 N6 O S c1ccc2c(c1....
36 4RVL ic50 = 41.7 nM 3XL C17 H10 N4 O c1ccc(c(c1....
37 5JQ5 Kd = 2341 nM I74 C22 H30 N6 O CC(C)c1cnn....
38 2C6O - 4SP C18 H22 N6 O3 S c1cc(ccc1N....
39 1V1K Ki = 35 uM 3FP C22 H23 F4 N5 O2 CN(C)C[C@H....
40 2VTJ ic50 = 1.9 uM LZ4 C10 H9 Cl N4 O2 S c1cc(ccc1N....
41 3EZV - EZV C25 H25 N7 CN1CCN(CC1....
42 3PXZ Kd = 37 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
43 1W0X - OLO C15 H18 N6 O Cn1cnc2c1n....
44 2XMY Ki = 0.11 nM CDK C18 H21 N5 O4 S2 CC1=C(SC(=....
45 2UZO ic50 = 18 uM C62 C14 H10 N2 O5 S2 c1cc(ccc1c....
46 1KE7 ic50 = 8.9 nM LS3 C20 H15 N3 O4 S c1cc2c(cc1....
47 1DM2 - HMD C11 H10 Br N5 O2 C1CNC(=O)C....
48 1DI8 ic50 = 1 uM DTQ C16 H15 N3 O3 COc1cc2c(c....
49 5JQ8 - I73 C22 H30 N6 O CC(C)c1cnn....
50 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
51 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
52 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
53 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
54 1PXP Ki ~ 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
55 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
56 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
57 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
58 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
59 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
60 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
61 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
62 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
63 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
64 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
65 4O0X Ki = 0.068 uM 2OQ C19 H20 N6 O Cc1nc2ccc(....
66 4O0Y Ki = 0.06 uM 2OO C17 H19 N7 O CCNc1nc2cc....
67 5LI9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
68 3A8W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
69 2F2U - M77 C14 H17 N3 O2 S c1cc2cnccc....
70 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
71 5OYF - B4Q C25 H27 N3 CCc1ccccc1....
72 5H8G ic50 < 0.003 uM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
73 5OS7 - A8Q C16 H19 Cl N CC(C)c1ccc....
74 5OTZ Kd = 6.5 uM AUT C15 H15 Cl2 N CCc1ccccc1....
75 5OUM - AVK C18 H18 Cl N3 c1ccc(cc1)....
76 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
77 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
78 3R1N - 05B C22 H21 N5 O3 c1cc2c(cc1....
79 3BWJ ic50 = 2.6 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
80 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
81 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
82 1SZM ic50 = 6.35 uM BI4 C27 H26 N4 O2 C[N@]1CCC[....
83 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
84 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
85 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
86 5EW9 Ki < 0.01 nM 5VC C22 H21 Cl F N3 O3 S c1cc(nc(c1....
87 5ORY ic50 = 407 uM AY4 C9 H6 F2 N2 O c1c[nH]nc1....
88 4CEG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
89 5ORV Kd = 1297 uM A65 C6 H9 N O S3 CSc1c(c(sn....
90 5OS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
91 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
92 5OSF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
93 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
94 6CPF - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
95 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
96 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
97 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
98 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
99 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
100 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
101 1P4F - DRG C12 H11 N3 c1ccc-2c(c....
102 4TXC Kd = 0.24 uM 38G C24 H27 N5 O3 CN(C)CCN[C....
103 2YAK ic50 = 2 nM OSV C27 H31 F N4 O3 Ru S4 CC(C)Oc1cc....
104 5AUY ic50 = 1.6 uM MRI C15 H10 O7 c1cc(c(cc1....
105 2HY0 ic50 = 0.65 nM 306 C26 H25 N5 O c1cc2c(cc1....
106 5LVO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
107 4XX9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
108 2XCK ic50 = 713 nM MH4 C29 H33 N9 O Cc1cc(ccn1....
109 3QD4 ic50 = 0.00000001 M 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
110 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
111 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
112 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
113 5ACK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
114 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
115 5LVM - ADE C5 H5 N5 c1[nH]c2c(....
116 5MRD ic50 = 36.4 uM S26 C18 H13 Cl N2 O4 S2 CCOC(=O)C1....
117 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
118 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
119 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
120 3QCS ic50 = 0.00000001 M 3Q1 C15 H17 N7 O c1cc2c(cc1....
121 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
122 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
123 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
124 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
125 3QD3 ic50 = 0.00000001 M 3Q5 C22 H30 N8 O2 C[C@H]1CC[....
126 1OKY ic50 = 6.5 nM STU C28 H26 N4 O3 C[C@@]12[C....
127 3IOP ic50 = 17 nM 8I1 C28 H27 N5 O3 COc1cc2c3c....
128 2PE1 ic50 = 6 nM 517 C15 H14 N4 O2 CC(c1ccc[n....
129 3RWP Ki = 0.6 nM ABQ C24 H24 F N7 O2 CC(C)n1cc(....
130 3NAX - MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
131 3QCQ ic50 = 0.00000001 M 3Q0 C13 H15 N7 CCNc1cc(nc....
132 4A06 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
133 2R5T - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
134 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
135 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
136 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
137 2UW9 - GVP C20 H20 Cl N3 c1cc(ccc1c....
138 2JDR ic50 = 0.5 nM L20 C24 H23 N5 O Cc1c2cc(cc....
139 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
140 4QMX ic50 = 11 uM H8H C27 H32 Cl N5 O5 CN1CCN(CC1....
141 4QMT ic50 = 0.01 uM H1N C29 H32 N4 O3 S CCS(=O)(=O....
142 4QMM ic50 = 0.46 uM 35R C19 H23 N7 O2 c1cc2c(cc1....
143 4QMU ic50 = 1.3 uM SKE C15 H12 F2 N6 O3 S c1cc(c(c(c....
144 4W8E - 3JB C20 H17 N7 O2 Cc1nc(no1)....
145 4QMZ ic50 = 0.21 uM B49 C22 H27 F N4 O2 CCN(CC)CCN....
146 3UBD Kd = 2.9 uM SL0 C25 H24 O12 CC1C(C(C(C....
147 4GUE Kd = 5.8 uM QCT C21 H20 O11 C[C@H]1[C@....
148 3G51 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
149 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
150 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
151 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
152 1U5R - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
153 2W7X ic50 = 138 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
154 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
155 2YCF ic50 = 0.7 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
156 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
157 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
158 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
159 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 C/C(=NO)/c....
160 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
161 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
162 6CCY ic50 = 0.003 uM EX4 C29 H33 F4 N7 O C[C@@H]1CC....
163 3QKK - SMH C28 H38 N2 O7 S CCOCCN(C[C....
164 4EKL ic50 = 5 nM 0RF C24 H32 Cl N5 O2 C[C@@H]1C[....
165 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
166 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
167 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
168 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
169 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
170 5DH3 ic50 = 38.1 nM 5BS C17 H16 N6 O3 S2 CN1c2ccsc2....
171 5OTF - AQ5 C20 H24 N6 c1cnc2c(c1....
172 3TKU ic50 = 1.92 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
173 3V8S ic50 = 0.65 uM 0HD C16 H16 N4 O c1ccc(cc1)....
174 4OTH ic50 = 9 nM DRN C25 H23 N5 O2 S [H]/N=C(/N....
175 5OOI - 9YE C23 H25 N O3 CC(C)n1c2c....
176 6CQF ic50 = 0.0045 uM F97 C21 H26 F2 N8 CC(C)n1c2c....
177 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
178 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
179 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
180 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
181 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
182 3WF5 ic50 = 81 nM FZ8 C17 H17 N7 c1ccc2c(c1....
183 3FY0 ic50 = 1090 nM DW1 C23 H13 N3 O4 Ru C1=CC(C=C1....
184 4EQU - G6I C30 H24 F3 N7 O2 Cc1ccc(cc1....
185 4OBQ ic50 = 0.065 uM 2QT C20 H20 F N5 O c1cc2c(cc1....
186 4U43 Kd = 48 uM 3D8 C11 H9 N5 c1cc(cnc1)....
187 4OBP ic50 = 0.017 uM 2QU C12 H8 F N5 c1cc(nc2c1....
188 6C0T ic50 = 43 nM EE4 C30 H30 F N5 O5 CCCOc1ccc(....
189 6BXI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
190 3DV3 - MEK C18 H18 F3 I N2 O5 c1cc(c(cc1....
191 3EQD - AGS C10 H16 N5 O12 P3 S c1nc(c2c(n....
192 5F9E ic50 = 0.46 nM 5VS C23 H21 N5 O2 CC1(NC(=O)....
193 1XJD Ki = 0.33 nM STU C28 H26 N4 O3 C[C@@]12[C....
194 5DBX - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
195 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
196 4USF - 6UI C19 H15 N3 O COc1ccc2cc....
197 2J51 - DKI C15 H13 F2 N7 O2 S2 c1cc(c(c(c....
198 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
199 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: C98; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 C98 1 1
2 54S 0.696629 0.981132
3 KXZ 0.682927 0.943396
4 551 0.602273 0.859649
5 54R 0.571429 0.714286
6 54P 0.488095 0.685185
7 YRA 0.470588 0.740741
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PE2; Ligand: E1B; Similar sites found with APoc: 641
This union binding pocket(no: 1) in the query (biounit: 3pe2.bio1) has 72 residues
No: Leader PDB Ligand Sequence Similarity
1 3O01 DXC None
2 1O44 852 None
3 5KK4 44E None
4 4CQK PIO None
5 1WBI BTN None
6 1UO4 PIH None
7 5NNT DPV None
8 4WG0 CHD None
9 4PNO U5P None
10 2IVD ACJ 0.890208
11 2R09 4IP 0.890208
12 2V58 LZJ 1.18694
13 5ZCT ANP 1.30719
14 3UDZ ADP 1.48368
15 5KJW 53C 1.48368
16 3WVR AMP 1.48368
17 6FL8 TIY 1.48368
18 6FL8 ADP 1.48368
19 4DR9 BB2 1.5625
20 2WBV SIA 1.5873
21 5G48 1FL 1.60428
22 4IMO PWZ 1.70455
23 2VQD AP2 1.78042
24 3ETH ATP 1.78042
25 5W75 SUC 1.78042
26 3JQ3 ADP 1.78042
27 5EJL C2E 1.78042
28 5WAN URA 1.78042
29 5EXK 5AD 1.81269
30 5NM7 GLY 1.8797
31 4RDL FUC GAL NDG FUC 1.94805
32 4ZS4 ATP 1.9544
33 3SBZ MLI 1.98413
34 2AZ5 307 2.02703
35 3F5A SIA GAL NAG 2.03252
36 2QK4 ATP 2.07715
37 5HV7 RBL 2.07715
38 2VPQ ANP 2.07715
39 4LHD GLY 2.07715
40 2OJW ADP 2.07715
41 1U25 IHS 2.07715
42 3V4S ATP 2.07715
43 4E70 N7I 2.07715
44 1A5Z FBP 2.07715
45 2CYC TYR 2.07715
46 5MUL BDP 2.07715
47 5KWW 6YA 2.07715
48 4ZVI 4S4 2.07715
49 1IZC PYR 2.07715
50 2XGT NSS 2.07715
51 3FSY SCA 2.10843
52 4NFE BEN 2.1097
53 4UCC ZKW 2.14592
54 1X8X TYR 2.17391
55 3PDT ADP 2.18182
56 5MTE BB2 2.18978
57 4JGP PYR 2.30415
58 3WV6 GAL GLC 2.36486
59 4EWN 0VR 2.37154
60 5OES ADP 2.37389
61 3WXL ADP 2.37389
62 5VZ0 ADP 2.37389
63 4PZ6 GMP 2.37389
64 1VRP ADP 2.37389
65 2IO8 ADP 2.37389
66 3B6R ADP 2.37389
67 1U6R ADP 2.37389
68 1ELI PYC 2.37389
69 2X3J ATP 2.37389
70 1S4M LUM 2.38908
71 4KCT PYR 2.40481
72 5LFV SIA GAL NAG 2.52366
73 4MJ0 SIA SIA GAL 2.54545
74 4X17 SIA SIA 2.57353
75 4X17 SIA 2.57353
76 3T4L ZEA 2.59259
77 6EZ6 C5Z 2.67062
78 5MZI FYK 2.67062
79 5AE9 OKO 2.67062
80 5VKM GAL SIA 2.67062
81 5WS9 OXL 2.67062
82 2J5B TYE 2.67062
83 4WOE ADP 2.67062
84 4COL DTP 2.67062
85 2I6A 5I5 2.67062
86 1V7R CIT 2.68817
87 5FLJ QUE 2.68817
88 4PL9 ADP 2.73224
89 4FE2 ADP 2.7451
90 4FE2 AIR 2.7451
91 1Q3P GLU ALA GLN THR ARG LEU 2.75229
92 1LYX PGA 2.82258
93 4CC6 L5Y 2.83019
94 5C1P ADP 2.94118
95 5U9J GER 2.95858
96 5I35 ANP 2.96736
97 5F6U 5VK 2.96736
98 4RF7 ARG 2.96736
99 3JU6 ANP 2.96736
100 1YFS ALA 2.96736
101 3RS8 ALA TRP LEU PHE GLU ALA 2.96736
102 2GVJ DGB 2.96736
103 1KJ8 ATP 2.96736
104 4NOS ITU 2.96736
105 3HQP OXL 2.96736
106 3A5Y KAA 2.96736
107 1T36 ADP 2.96736
108 3K5I ADP 2.96736
109 4KVL PLM 2.96736
110 1QMG APX 2.96736
111 4RW3 IPD 2.98013
112 3I7V B4P 2.98507
113 4XBA GMP 3
114 4XBA 5GP 3
115 2VDF OCT 3.16206
116 1VKF CIT 3.19149
117 4DOL PLM 3.22581
118 4XZ3 ACP 3.23276
119 4Y24 TD2 3.24675
120 4XMF HSM 3.26087
121 6C1S EFV 3.2641
122 5LHT TIH 3.2641
123 3ORQ ADP 3.2641
124 4U8P UDP 3.2641
125 2Q7D ANP 3.2641
126 3NKS ACJ 3.2641
127 1FDJ 13P 3.2641
128 4B0T ADP 3.2641
129 2Y3S TIR 3.2641
130 2PFC PLM 3.27869
131 2HZL PYR 3.28767
132 2QHV OC9 3.33333
133 1BC5 ACE ASN TRP GLU THR PHE 3.34572
134 5L4R CPT 3.38164
135 1F5F DHT 3.41463
136 1HXD BTN 3.42679
137 4AVV GHE 3.43137
138 4AVV CD 3.43137
139 5JM8 ATP 3.47222
140 1SDW IYT 3.50318
141 3KYG 5GP 5GP 3.52423
142 5W7B MYR 3.5461
143 1I7L ATP 3.55987
144 5IM3 DTP 3.56083
145 4OCJ NDG 3.56083
146 5LRT ADP 3.56083
147 2WGH DTP 3.56083
148 2RDE C2E 3.58566
149 5GZ9 ANP 3.60656
150 1CKM GTP 3.63636
151 1PK8 ATP 3.79147
152 5H9P TD2 3.79747
153 5V13 JH3 3.81944
154 4OCV ANP 3.85757
155 3P4X ADP 3.85757
156 5W11 CTR 3.85757
157 5VAD PRO 3.85757
158 4KCF AKM 3.85757
159 1AUX AGS 3.85852
160 4RYV ZEA 3.87097
161 1OW4 2AN 3.87597
162 1SWG BTN 3.90625
163 5YW5 ADE 3.91061
164 3VPD ANP 3.91459
165 4CPH LH4 3.93701
166 2HRL SIA GAL SIA BGC NGA CEQ 3.93701
167 1JBU BEN 3.93701
168 1R1Q ACE ARG GLU PTR VAL ASN VAL 4
169 5UGW GSH 4
170 4O4F ATP 4.03226
171 4O4F IHP 4.03226
172 4K55 H6P 4.03226
173 3CBC DBS 4.0404
174 2PYW ADP 4.04762
175 1ZDU P3A 4.08163
176 1SQL GUN 4.10959
177 2EB5 OXL 4.11985
178 4QAC KK3 4.14747
179 1TSD F89 4.15094
180 3X01 AMP 4.1543
181 4XYM A12 4.1543
182 2QPU QPS 4.1543
183 2QPU QPU 4.1543
184 6E1Q CFA 4.1543
185 1SBR VIB 4.1543
186 3KLL MAL 4.1543
187 4WCX MET 4.1543
188 5Z46 8XL 4.1543
189 5JCJ 6JM 4.16667
190 2RDQ AKG 4.16667
191 3CF6 SP1 4.19162
192 5I8F ML1 4.24242
193 1Q3A NGH 4.24242
194 4IAW LIZ 4.25532
195 3QPB URA 4.25532
196 3TAY MN0 4.29448
197 4P25 FUC GAL NAG FUC 4.30464
198 3S6X SIA GAL BGC 4.30769
199 4LH7 1X8 4.33437
200 4GNC ASO 4.34783
201 5ODY 9SK 4.34783
202 4C5N ACP 4.34783
203 1TZD ADP 4.36364
204 2QX0 PH2 4.40252
205 4U98 ACP 4.40529
206 3BWR GAL NGA SIA GAL BGC 4.41176
207 6GNO XDI 4.44444
208 4D4U FUC GAL NAG 4.44444
209 5HZ9 5M8 4.44444
210 2PUL ACP 4.45104
211 3I0O ADP 4.45104
212 3HAV ATP 4.45104
213 1M0W ANP 4.45104
214 3N75 G4P 4.45104
215 2G50 PYR 4.45104
216 1ZPD CIT 4.45104
217 4HKP TKW 4.48718
218 2AQX ATP 4.49827
219 1W2D ADP 4.5283
220 1W2D 4IP 4.5283
221 2GQS ADP 4.64135
222 2GQS C2R 4.64135
223 1IA9 ANP 4.64286
224 1FHX 4IP 4.65116
225 4V03 ADP 4.66926
226 3DNT ATP 4.74777
227 1E4E ADP 4.74777
228 1F6D UDP 4.74777
229 4PYW ACE THR THR ALA ILE NH2 4.74777
230 5EYG NAP 4.90566
231 3G5K BB2 4.91803
232 3T03 3T0 4.92958
233 1CBK ROI 5
234 3TDC 0EU 5.04451
235 3ACL 3F1 5.04451
236 4OB6 S2T 5.04451
237 1I1E DM2 5.04451
238 5YJS SAL 5.04451
239 1MJT ITU 5.04451
240 5DQ8 FLF 5.04451
241 5VM6 9EG 5.10949
242 1DQE BOM 5.10949
243 6CB2 OLC 5.11945
244 4O4Z N2O 5.19481
245 4GLW 0XT 5.2459
246 5MRH Q9Z 5.34125
247 5OLK DTP 5.34125
248 1Q5H DUD 5.44218
249 4EOY ASN ASP TRP LEU LEU PRO SER TYR 5.46875
250 3ZJX BOG 5.53633
251 3RV5 DXC 5.61798
252 4CNE SAH 5.61798
253 5YK1 ANP 5.63798
254 1FUR MLT 5.63798
255 1J78 OLA 5.63798
256 3E9I XAH 5.63798
257 4MOB ADP 5.72289
258 3ZW2 NAG GAL FUC 5.74713
259 3THR C2F 5.80205
260 5OCG 9R5 5.82011
261 4R78 AMP 5.82524
262 3GD8 GOL 5.8296
263 5TDF ADP 5.8642
264 4OAV ACP 5.93472
265 2IF8 ADP 5.93472
266 5J75 6GQ 5.93472
267 4RKX 3S9 5.93472
268 3DZ6 M8E 5.97015
269 5IGI GMP 5.98007
270 5IGI ZIT 5.98007
271 3EFS BTN 6.00858
272 1TQP ATP 6.02837
273 4MTI 2DX 6.08696
274 5M37 9SZ 6.08696
275 5HCN DAO 6.13027
276 4IEN GDP 6.13497
277 2UZ2 BTN 6.15385
278 5TWJ SAM 6.17284
279 3WG3 A2G GAL NAG FUC 6.17978
280 4PU5 ANP 6.18102
281 5DZT AMP 6.23145
282 1GT4 UNA 6.23145
283 4BG4 ADP 6.23145
284 2GQR ADP 6.32911
285 4L4J NAG NAG BMA MAN NAG 6.33484
286 1AV5 AP2 6.34921
287 6FA4 D1W 6.35838
288 2XG5 EC2 6.35838
289 2XG5 EC5 6.35838
290 3VPC ADP 6.38298
291 1LO8 4CA 6.38298
292 3K56 IS3 6.39098
293 2GBB CIT 6.41026
294 1WS1 BB2 6.41026
295 2EV9 SKM 6.46388
296 3UWB BB2 6.49351
297 4RHS SIA SIA GAL 6.55738
298 6D5H FV7 6.58683
299 6BVK EAV 6.58683
300 6BVM EBV 6.58683
301 6BVL EBY 6.58683
302 6BVI EC4 6.58683
303 6D55 FWA 6.58683
304 6D59 FVJ 6.58683
305 6BVJ EAS 6.58683
306 6D5G FVD 6.58683
307 3ZXE PGZ 6.76692
308 5E6O TRP GLU GLU LEU 6.77966
309 5FUI APY 6.81818
310 3HNC TTP 6.81818
311 4GYI ADP 6.82493
312 3TY5 ATP 6.82493
313 5WHT SIA GAL GLC 6.82493
314 2Q8G AZX 6.82493
315 4ZGP ADP 6.82594
316 5Y4R C2E 6.89655
317 2HK9 SKM 6.90909
318 3RET PYR 6.93069
319 3RET SAL 6.93069
320 5RHN 8BR 6.95652
321 5JJU AMP 7.05882
322 4KAX 4IP 7.10059
323 2VWT PYR 7.11611
324 1LSH PLD 7.12166
325 1N8V BDD 7.14286
326 1FAO 4IP 7.14286
327 4B6C B5U 7.14286
328 5LX9 OLB 7.16612
329 1KJ1 MAN 7.33945
330 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 7.3913
331 2UW1 GVM 7.4184
332 3DLG GWE 7.4184
333 4N14 WR7 7.4184
334 5H4S RAM 7.4184
335 3UEC ALA ARG TPO LYS 7.53425
336 4INI AMP 7.69231
337 3CM2 X23 7.71513
338 1I7M CG 7.71513
339 4Q0A 4OA 7.71513
340 5NIU 8YZ 7.8125
341 5OQW A4E 7.87402
342 5HZX 2GE 7.95455
343 5VC5 96M 7.95848
344 6DZN AE3 7.9646
345 1N07 ADP 7.97546
346 1EHI ADP 8.01187
347 5CPR 539 8.01187
348 5DYO FLU 8.01887
349 2W5P CL8 8.05369
350 5D9G GLU ASN LEU TYR PHE GLN 8.13008
351 5FIT AP2 8.16327
352 3AQT RCO 8.16327
353 5MW8 ATP 8.30861
354 1QH9 LAC 8.30861
355 3KAL ADP 8.30861
356 2BKK ADP 8.33333
357 1KUK PCA LYS TRP 8.37438
358 3S0E EOL 8.40336
359 5K2M ADP 8.42491
360 2FP2 TSA 8.43373
361 5M6N 7H9 8.47458
362 5CKW ANP 8.60534
363 1GPM AMP 8.60534
364 6FHQ DE5 8.62069
365 5EO8 TFU 8.68167
366 5LYH 7B8 8.80829
367 3IWD M2T 8.82353
368 1UJP CIT 8.85609
369 2Z3U CRR 8.90208
370 2YW2 ATP 8.90208
371 3UDG TMP 8.90208
372 3AJ4 SEP 8.92857
373 1OFZ FUC 8.97436
374 1OFZ FUL 8.97436
375 5C4L 4XR 9.03427
376 5C4L SIS 9.03427
377 5C83 4YN 9.09091
378 1ECM TSA 9.17431
379 6CGD GNP 9.18033
380 6CGD AKN 9.18033
381 3N1S 5GP 9.2437
382 5CIC 51R 9.25926
383 3WQM B29 9.30233
384 1F28 F89 9.42761
385 1ZQ9 SAM 9.47368
386 1OBD ATP 9.47712
387 3UW5 MAA CHG PRO 0DQ 9.48276
388 4LIK CIT 9.49555
389 5MG2 7M8 9.49555
390 5EEH P9P 9.49555
391 3E3U NVC 9.64467
392 4URX FK1 9.72973
393 2WSI FAD 9.80392
394 3KO0 TFP 9.90099
395 3NZ1 3NY 9.96169
396 1HBK MYR 10.1124
397 4P9Z NMI PTR 02K ASN NH2 10.2564
398 3BP1 GUN 10.3448
399 3RZ3 U94 10.3825
400 4UWH JXM 10.3858
401 4BTV RB3 10.3858
402 2VSL MAA LYS PRO PHE 10.4167
403 3H0L ADP 10.6383
404 3TM0 B31 10.6464
405 5C03 AGS 10.6825
406 3UG4 AHR 10.7143
407 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 10.8571
408 3UW4 MAA CHG PRO 0DQ 10.8696
409 6BSL EVV 10.8911
410 3CTR MGP 10.8911
411 1PVC ILE SER GLU VAL 10.9244
412 2BVE PH5 10.9244
413 1GSA ADP 10.9792
414 3W0O ADP 11.1748
415 3W0O HY0 11.1748
416 4DFU QUE 11.1801
417 4G9N NGA 11.1888
418 1ZP9 ATP 11.2403
419 1ZTH ADP 11.2403
420 2C94 TSF 11.25
421 6HDT BTN 11.2782
422 4WOV 3SM 11.3565
423 4IPH 1FJ 11.3821
424 4L80 OXL 11.5727
425 5O96 SAM 11.5727
426 4RT1 C2E 11.6071
427 3GN8 DEX 11.6466
428 4Q5H ANP 11.8421
429 4O1P ANP 12.1662
430 2BS5 BGC GAL FUC 12.2222
431 1RL4 BL5 12.234
432 4MN3 ACE PHE ALA TYR M3L SER NH2 12.5
433 4O9S 2RY 12.5581
434 5LPZ ADP 12.6506
435 4AZW ATP 12.7596
436 2HGS ADP 12.7596
437 5TVF CGQ 12.9412
438 3TDV GDP 13.0719
439 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 13.1579
440 1ZEI CRS 13.2075
441 5DXT 5H5 13.3531
442 5FI4 5XV 13.3531
443 4Y93 746 13.6499
444 5USZ SKE 13.8408
445 5LXT ACP 13.9466
446 1OPB RET 14.1791
447 5LPB ADP 14.1892
448 3VHE 42Q 14.2433
449 3VPB ADP 14.2857
450 4QYN RTL 14.2857
451 4IX4 ADP 14.5401
452 4CYI ATP 14.5401
453 4R38 RBF 15
454 5JKG 6LF 15.1125
455 1OFL NGK GCD 15.4303
456 2QLU ADE 15.9236
457 4UXL 5P8 16.1491
458 3SXS PP2 16.4179
459 3GNI ATP 16.6172
460 2X2M X2M 16.879
461 3VOT ADP 17.2107
462 1H8P PC 17.4312
463 5NCF 8T5 18.5841
464 3SAO DBH 20
465 4WW7 AMP 20.3209
466 3A5Z KAA 20.4188
467 4FL3 ANP 20.4748
468 1KGI T4A 21.2598
469 1K3A ACP 21.4047
470 3NW7 LGV 21.4984
471 1M2Z BOG 21.6617
472 3KMW ATP 21.7712
473 4KBA 1QM 21.9585
474 5OKT 9XK 21.9585
475 4F4P 0SB 21.9585
476 3SRV S19 22.2552
477 4XH0 ADP 22.5519
478 1VJY 460 22.8487
479 6ASZ GLN THR ALA ARG M3L SER 23.1884
480 2CSN CKI 23.2323
481 5MT9 SRO 23.3333
482 5KO1 6UY 23.7389
483 4CLI 5P8 23.7389
484 4BTK DTQ 24.0356
485 5T8O 76Z 24.9258
486 3H9R TAK 25.2226
487 4IDT T28 25.5193
488 5JGA 6KC 25.5193
489 5QIN J2V 25.816
490 4E93 GUI 25.816
491 1V3S ATP 25.8621
492 1NHZ 486 26.0714
493 2Y6O 1N1 26.1128
494 1BYG STU 26.1128
495 4L9I 8PR 26.1128
496 4PNI KQQ 26.1128
497 4EWH T77 26.1128
498 6GQM F8H 26.4095
499 5CEO 50D 26.4095
500 2F57 23D 26.8139
501 1OPK P16 27.003
502 4Y85 499 27.003
503 3E8N VRA 27.003
504 3E8N ATP 27.003
505 5FBN 5WF 27.003
506 4RFM 3P6 27.003
507 3UIM ANP 27.2997
508 1U59 STU 27.2997
509 4P5Z Q7M 27.2997
510 3SLS ANP 27.5964
511 5NKB 8ZT 27.5964
512 3SLS 77D 27.5964
513 4K33 ACP 27.8932
514 4FF8 14S 27.8932
515 5WO4 B7V 28.1899
516 3KRL KRL 28.1899
517 6GIN IR2 28.2392
518 6C7Y ADP 28.4866
519 3LXK MI1 28.4866
520 3PLS ANP 28.7834
521 5MJA 7O3 28.7834
522 3TXO 07U 28.7834
523 5U6C 7YS 28.7834
524 4QMN DB8 28.7834
525 1JPA ANP 28.7834
526 5JFS 6K0 28.7834
527 4ASE AV9 29.0801
528 5TO8 7FM 29.0801
529 5UR1 YY9 29.0801
530 4AG8 AXI 29.0801
531 3BZ3 YAM 29.0801
532 3G5D 1N1 29.3769
533 6ES0 BW8 29.3769
534 2H8H H8H 29.6736
535 2PVF ACP 29.6736
536 1Y57 MPZ 29.6736
537 6GWR FEW 29.6736
538 1XJD STU 29.9703
539 5WNL STU 29.9703
540 4E1Z 0MX 29.9703
541 1U5R ATP 29.9703
542 3GQI ACP 29.9703
543 4AT3 LTI 29.9703
544 2Y69 CHD 30
545 2J9D ADP 30.2521
546 3VRY B43 30.2671
547 5DBX ANP 30.5638
548 6C0T EE4 30.5638
549 3RI1 3RH 30.5638
550 2QCS ANP 30.8605
551 3IDB ANP 31.1573
552 2A19 ANP 31.1573
553 3LXN MI1 31.1573
554 2F2U M77 31.1573
555 3FHI ANP 31.1573
556 4GJ3 0XP 31.1573
557 2GU8 796 31.1573
558 1RE8 BD2 31.1573
559 4U0I 0LI 31.1573
560 4YMJ 4EJ 31.25
561 4DC2 ADE 31.454
562 5LI1 ANP 31.454
563 5LI9 ACP 31.454
564 5TA6 79D 31.454
565 3FC2 IBI 31.454
566 4BHN BH9 31.7507
567 2HK5 1BM 31.8519
568 4WB7 ATP 32.0475
569 6E2O S0L 32.0475
570 4TWP AXI 32.4723
571 4I6H 1C8 32.6409
572 4WB6 ATP 32.9377
573 4CSV STI 33.4545
574 5HES 032 33.5505
575 4YZC STU 34.7181
576 2OO8 RAJ 35.6083
577 2OFV 242 35.7401
578 3PVW QRX 35.905
579 5UKL SIX 35.905
580 1ZY5 ANP 36.2018
581 3C1X CKK 36.4985
582 5EOB 5QQ 36.4985
583 5N87