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Receptor
PDB id Resolution Class Description Source Keywords
5N9L 1.79 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF HUMAN PROTEIN KINASE CK2 CATALYTIC SUBU COMPLEX WITH THE ATP-COMPETITIVE DIBENZOFURAN INHIBITOR TF HOMO SAPIENS PROTEIN KINASE CK2 CASEIN KINASE 2 PROTEIN PHOSPHORYLATIOCOMPETITIVE INHITITORS DIBENZOFURAN DERIVATIVES TRANSFERATIGHT-BINDING INHIBITORS
Ref.: A PI-HALOGEN BOND OF DIBENZOFURANONES WITH THE GATE PHE113 IN HUMAN PROTEIN KINASE CK2 LEADS TO POTENT BINDING INHIBITORS. PHARMACEUTICALS V. 11 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:406;
A:407;
A:405;
A:404;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
ACT A:402;
A:403;
 Invalid;
Invalid;
 none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
8QH A:401;
 Valid;
 none;
 Ki = 15 nM
388.244 C20 H15 Cl2 N O3 Cc1cc...
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 (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: 8QH; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 8QH 1 1
2 KC5 0.43617 0.957447
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