Receptor
PDB id Resolution Class Description Source Keywords
1ZOG 2.3 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF PROTEIN KINASE CK2 IN COMPLEX WITH TBB- DERIVATIVES ZEA MAYS PROTEIN KINASE CK2 TBB TETRABROMO-BENZIMIDAZOLE INHIBITORS PHARMACOPHORE TRANSFERASE
Ref.: INSPECTING THE STRUCTURE-ACTIVITY RELATIONSHIP OF PROTEIN KINASE CK2 INHIBITORS DERIVED FROM TETRABROMO-BENZIMIDAZOLE. CHEM.BIOL. V. 12 1211 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
K37 A:501;
A:502;
Valid;
Valid;
none;
none;
Ki = 0.07 uM
479.812 C8 H4 Br4 N2 S CSc1[...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PVN 2 Å EC: 2.7.11.1 STRUCTURE-BASED DESIGN OF PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS POTENT INHIBITORS OF PROTEIN KINASE CK2 ZEA MAYS STRUCTURE-BASED DRUG DESIGN ENZYME-INHIBITOR COMPLEX CASEIN KINASE II PROTEIN KINASE CK2 TRANSFERASE
Ref.: STRUCTURE-BASED DESIGN, SYNTHESIS, AND STUDY OF PYRAZOLO[1,5-A][1,3,5]TRIAZINE DERIVATIVES AS POTENT INHIBITORS OF PROTEIN KINASE CK2. BIOORG.MED.CHEM.LETT. V. 17 4191 2007
Members (36)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 133 families.
1 2PVH Ki = 0.26 uM P19 C17 H14 N6 c1ccc(cc1)....
2 1M2P - HNA C14 H7 N O6 c1cc2c(c(c....
3 1LPU - BEN C7 H8 N2 [H]/N=C(c1....
4 2QC6 ic50 = 0.1 uM G12 C10 H6 Br2 O3 CC1=C(C(=O....
5 4ANM ic50 = 28 nM WUL C15 H14 Br N3 O3 c1cc2c(cc1....
6 1DAW - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
7 4RLK - E91 C21 H14 N2 O2 c1ccc2c(c1....
8 2OXD - K32 C7 H2 Br4 N2 O c12c(c(c(c....
9 2PVM Ki = 0.36 uM P29 C17 H15 N9 c1ccc(cc1)....
10 1J91 - TBS C6 H Br4 N3 c12c(c(c(c....
11 3FL5 - TXQ C14 H8 O6 c1cc(c(c2c....
12 3PWD Ki = 0.22 uM CZ0 C14 H9 N O5 CC1=CC(=O)....
13 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
14 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
15 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
16 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
17 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
18 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
19 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
20 2OXY - K17 C7 H2 Br4 N2 c1[nH]c2c(....
21 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
22 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
23 6QS5 ic50 = 0.57 uM JGB C10 H8 N2 O3 c1cc(c(cc1....
24 1ZOE Ki = 0.04 uM K25 C9 H7 Br4 N3 CN(C)c1[nH....
25 2PVL Ki = 0.024 uM P55 C18 H20 N8 CCN1CCN(CC....
26 1LP4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
27 2PVN Ki = 0.00035 uM P63 C20 H16 N8 O CC(=O)Nc1c....
28 3KXG - K6X C7 H Br5 N2 c12c(c(c(c....
29 3BE9 Ki = 24 nM P04 C19 H21 N7 O c1cc2cc(c1....
30 2OXX - K22 C7 H2 Br4 N2 S c12c(c(c(c....
31 3KXM - K74 C11 H9 Br4 N3 O S CNC(=O)CSc....
32 1LR4 - BEN C7 H8 N2 [H]/N=C(c1....
33 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
34 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
35 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
36 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
70% Homology Family (183)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 101 families.
1 4FBX - 0TJ GLY ASP ASP ASP ASP ASP n/a n/a
2 6L21 - E3U C16 H12 O6 c1cc(c(c2c....
3 5OUU - AWN C22 H20 Cl N3 c1ccc(cc1)....
4 4RLL - E91 C21 H14 N2 O2 c1ccc2c(c1....
5 5CU4 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
6 6HOT - CIY C10 H10 O3 COc1cc(ccc....
7 5ORJ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 3MB6 ic50 = 100 nM 01I C16 H8 O6 c1cc2c(cc(....
9 5M4F - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
10 6A1C - 9NX C17 H15 Br N4 O2 S COc1cc(c(c....
11 6EHU - B5E C25 H24 F3 N3 CCc1ccccc1....
12 5CVH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 3BQC ic50 ~ 2 uM EMO C15 H10 O5 Cc1cc2c(c(....
14 6L22 - E3U C16 H12 O6 c1cc(c(c2c....
15 5N9K Ki = 0.46 nM 8QK C20 H13 Cl2 N O4 COc1ccc(cc....
16 5OTQ - AUH C25 H27 N3 O CCc1ccccc1....
17 5CU2 - 54G C8 H8 O3 Cc1ccc(c(c....
18 5MO5 - 4IH C17 H21 Cl N2 O2 S CS(=O)(=O)....
19 5M4I - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
20 5MP8 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 6HOR - GJK C11 H12 O3 CC(=O)/C=C....
22 5MOV - HC4 C9 H8 O3 c1cc(ccc1C....
23 5MOH - YTX C9 H10 O4 COc1cc(ccc....
24 6JWA ic50 = 10.9 uM 5ID C11 H13 I N4 O4 c1c(c2c(nc....
25 6HNW ic50 = 200 nM CUE C15 H8 O5 c1cc2c(cc1....
26 5CSH Kd = 270 uM 54E C13 H12 Cl N c1ccc(cc1)....
27 7A49 ic50 = 3.26 uM QWN C5 H2 Br Cl N4 c1c2c(nc(c....
28 5OTL - AQT C25 H26 Cl N3 O CCc1ccccc1....
29 5ORK Kd = 234 uM A4T C13 H11 Cl F N c1ccc(c(c1....
30 7A4B ic50 = 2.56 uM QXW C5 H2 Br2 N4 c1c2c(nc(c....
31 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
32 5OYF - B4Q C25 H27 N3 CCc1ccccc1....
33 5H8G Kd = 48.2 pM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
34 5OS7 - A8Q C16 H19 Cl N CC(C)c1ccc....
35 6YPJ - P5W C16 H12 N2 O2 S c1ccc(cc1)....
36 5OTZ Kd = 6.5 uM AUT C15 H15 Cl2 N CCc1ccccc1....
37 6HOQ - FER C10 H10 O4 COc1cc(ccc....
38 5OUM - AVK C18 H18 Cl N3 c1ccc(cc1)....
39 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
40 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
41 6RCB ic50 = 0.33 uM JYZ C17 H14 N2 O4 COc1cc(ccc....
42 6HME - FXB C21 H21 N O3 CC(C)n1c2c....
43 6HOP - FER C10 H10 O4 COc1cc(ccc....
44 5OTO - AQW C24 H23 Cl2 N3 CCc1ccccc1....
45 3AT4 Kd = 2.26 nM CCK C20 H20 N6 O2 CC(C)Nc1cc....
46 3OWJ Ki = 0.86 uM 1EL C17 H14 N2 O2 Cc1c2c(c(c....
47 6RFF ic50 = 0.37 uM K1B C12 H6 Br N5 O4 S c1cc(c(cc1....
48 6EII - B5W C22 H23 Cl N c1ccc(cc1)....
49 5CU0 - 54R C18 H21 Cl N2 O CC(=O)NCCC....
50 5H8E Kd = 6.33 pM 5Y3 C21 H25 N9 O CC(=O)Nc1c....
51 5OWH - B0K C10 H9 Br4 N3 c1nc2c(n1C....
52 6L1Z - E3U C16 H12 O6 c1cc(c(c2c....
53 3WAR - NIO C6 H5 N O2 c1cc(cnc1)....
54 5MOE Kd = 520 uM OQC C11 H10 Cl N O c1cc(c(cc1....
55 5OUE - AVZ C18 H19 Cl N3 c1ccc(cc1)....
56 5MOD Kd = 300 uM 86L C10 H14 Cl N O CC(C)Oc1cc....
57 6RB1 ic50 = 1.37 uM JWQ C14 H9 F3 N4 O3 S COc1cc(ccc....
58 6TEI - N4N C15 H11 N3 O2 S c1ccnc(c1)....
59 5OWL - B0K C10 H9 Br4 N3 c1nc2c(n1C....
60 6HBN - FXB C21 H21 N O3 CC(C)n1c2c....
61 5CU3 Kd = 0.32 uM 54S C26 H26 Cl N3 O4 c1ccc(cc1)....
62 5OTR - AU8 C13 H12 Cl2 N c1ccc(cc1)....
63 4KWP Ki = 0.04 uM EXX C12 H10 Br4 N2 O3 c1nc2c(n1[....
64 5OSL - A9K C13 H12 Cl N O c1ccc(c(c1....
65 5N9N Ki = 0.41 nM KC5 C20 H15 Cl2 N O4 COc1ccc(cc....
66 5CSP Kd = 58 uM 54G C8 H8 O3 Cc1ccc(c(c....
67 5CTP - 54R C18 H21 Cl N2 O CC(=O)NCCC....
68 5MOW - BR9 C5 H6 Br N3 c1c(cnc(c1....
69 4UB7 Ki = 2.5 nM 3G5 C16 H8 Br2 O5 c1cc(ccc1C....
70 5MMF - JMB C16 H19 Cl N CCC[NH2+]C....
71 5OTH - AQ8 C25 H26 Cl N3 O CCc1ccccc1....
72 1PJK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
73 6YPK - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
74 3NSZ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
75 5OTI - AOK C25 H26 Cl N3 CCc1ccccc1....
76 3AXW - TID C9 H7 N3 O2 S c1cc(ccc1c....
77 5MO6 - KXZ C19 H21 Cl N2 O3 c1ccc(cc1)....
78 2PVR - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
79 3C13 - EMO C15 H10 O5 Cc1cc2c(c(....
80 5CS6 Kd = 630 uM K82 C10 H14 Cl N O CCCOc1ccc(....
81 6YPH - N5Q C20 H14 N2 O3 S c1ccc2cc(c....
82 3PE2 Ki = 0.175 nM E1B C20 H12 N4 O2 C#Cc1cccc(....
83 5CT0 - 54P C16 H18 Cl N O c1ccc(cc1)....
84 6RCM ic50 = 0.36 uM K0N C17 H18 N4 O3 S CC(C)(C)c1....
85 5CU6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
86 5M4C - 7EY C16 H14 N2 O2 S2 Cc1ccc(cc1....
87 6SPX ic50 = 44 uM DAS ASP ASP ASP ASP ASP LYS 9AB n/a n/a
88 5MO7 - YRA C16 H17 Cl N2 O c1ccc(cc1)....
89 5N9L Ki = 15 nM 8QH C20 H15 Cl2 N O3 Cc1ccc(cc1....
90 5OT5 - AWK C25 H26 Cl N3 CCc1ccccc1....
91 3OWK ic50 = 1.5 uM 18E C16 H11 Cl N2 O Cc1cnc(c2c....
92 5MMR - H83 C17 H21 Cl N2 c1ccc(cc1)....
93 5MPJ - J2P C15 H17 Cl N CC[NH2+]Cc....
94 5OQU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
95 6GIH - EZN C15 H13 Cl N2 c1cc(c2cc[....
96 6RFE ic50 = 0.28 uM K0Z C13 H9 Br N4 O3 S COc1cc(ccc....
97 6YPG - N5Q C20 H14 N2 O3 S c1ccc2cc(c....
98 5CSV - GAB C7 H7 N O2 c1cc(cc(c1....
99 5MOT - HBD C7 H7 N O2 c1cc(ccc1C....
100 3R0T ic50 = 0.91 nM FU9 C22 H16 F3 N5 O2 c1cc(cc(c1....
101 3PE1 Ki = 0.223 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
102 3JUH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
103 5CLP - 42J C8 H9 Cl2 N c1cc(c(cc1....
104 5ORH Kd = 41 uM A4N C14 H14 Cl N Cc1ccccc1c....
105 3H30 Ki = 29.2 uM RFZ C12 H12 Cl2 N2 O4 c1c2c(cc(c....
106 2ZJW Ki = 0.02 uM REF C14 H6 O8 c1c2c-3c(c....
107 6HOU - V55 C8 H8 O3 COc1cc(ccc....
108 7A4C ic50 = 3.82 uM QWW C5 H Br3 N4 c12c(c(c(n....
109 6YPN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
110 5OSZ - AHK C24 H25 Cl N3 CCc1ccccc1....
111 4GRB ic50 = 17 nM 0XG C19 H18 N4 O4 S CN(C)C(=O)....
112 5OT6 - AJK C19 H20 Cl N2 c1ccc(cc1)....
113 6EHK - AUW C24 H23 Cl2 N3 CCc1ccccc1....
114 6L24 - E3U C16 H12 O6 c1cc(c(c2c....
115 3MB7 ic50 = 200 nM 14I C16 H8 O6 c1cc2c(cc(....
116 5OS8 - J27 C14 H14 Cl F N Cc1cc(ccc1....
117 5OTY - AUW C24 H23 Cl2 N3 CCc1ccccc1....
118 5OTD - AOW C24 H24 Cl N4 O2 CCc1ccccc1....
119 6GMD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
120 5CVF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
121 6HNY - GHT C19 H19 N O4 CN1CCc2cc(....
122 5CX9 - 551 C20 H23 Cl N2 O3 COC(=O)CC(....
123 5OUL - AWE C13 H11 Cl F N c1cc(cc(c1....
124 6TEW - N5Q C20 H14 N2 O3 S c1ccc2cc(c....
125 5Y9M - NIO C6 H5 N O2 c1cc(cnc1)....
126 7A1B ic50 = 2.36 uM QXW C5 H2 Br2 N4 c1c2c(nc(c....
127 7A2H - QX2 C6 H2 Br3 N3 c1[nH]c2c(....
128 5M56 - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
129 5M4U - 7FC C16 H8 Cl2 O5 c1cc(ccc1C....
130 6HMD - GDW C21 H24 N2 O2 CCN(CC)CCn....
131 6HMQ - 4B0 C9 H7 Br4 N3 O C(Cn1c2c(c....
132 5OOI - 9YE C23 H25 N O3 CC(C)n1c2c....
133 7A1Z ic50 = 3.38 uM QWN C5 H2 Br Cl N4 c1c2c(nc(c....
134 6TE2 - N4N C15 H11 N3 O2 S c1ccnc(c1)....
135 6HMB - 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
136 7A22 ic50 = 1.98 uM QWW C5 H Br3 N4 c12c(c(c(n....
137 3OFM - 4B0 C9 H7 Br4 N3 O C(Cn1c2c(c....
138 6HMC - FXB C21 H21 N O3 CC(C)n1c2c....
139 5YF9 - NIO C6 H5 N O2 c1cc(cnc1)....
140 6TGU - N92 C16 H11 Cl N2 O3 S c1cc(ccc1c....
141 2PVH Ki = 0.26 uM P19 C17 H14 N6 c1ccc(cc1)....
142 1M2P - HNA C14 H7 N O6 c1cc2c(c(c....
143 1LPU - BEN C7 H8 N2 [H]/N=C(c1....
144 2QC6 ic50 = 0.1 uM G12 C10 H6 Br2 O3 CC1=C(C(=O....
145 4ANM ic50 = 28 nM WUL C15 H14 Br N3 O3 c1cc2c(cc1....
146 1DAW - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
147 4RLK - E91 C21 H14 N2 O2 c1ccc2c(c1....
148 2OXD - K32 C7 H2 Br4 N2 O c12c(c(c(c....
149 2PVM Ki = 0.36 uM P29 C17 H15 N9 c1ccc(cc1)....
150 1J91 - TBS C6 H Br4 N3 c12c(c(c(c....
151 3FL5 - TXQ C14 H8 O6 c1cc(c(c2c....
152 3PWD Ki = 0.22 uM CZ0 C14 H9 N O5 CC1=CC(=O)....
153 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
154 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
155 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
156 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
157 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
158 4DGN ic50 = 0.35 uM LU2 C15 H10 O6 c1cc(c(cc1....
159 1M2Q - MNX C13 H7 N O6 c1cc(c2c(c....
160 2OXY - K17 C7 H2 Br4 N2 c1[nH]c2c(....
161 1M2R - MNY C14 H10 N2 O4 c1cc(c2c(c....
162 3KXN - K8X C7 H2 I4 N2 c1[nH]c2c(....
163 6QS5 ic50 = 0.57 uM JGB C10 H8 N2 O3 c1cc(c(cc1....
164 1ZOE Ki = 0.04 uM K25 C9 H7 Br4 N3 CN(C)c1[nH....
165 2PVL Ki = 0.024 uM P55 C18 H20 N8 CCN1CCN(CC....
166 1LP4 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
167 2PVN Ki = 0.00035 uM P63 C20 H16 N8 O CC(=O)Nc1c....
168 3KXG - K6X C7 H Br5 N2 c12c(c(c(c....
169 3BE9 Ki = 24 nM P04 C19 H21 N7 O c1cc2cc(c1....
170 2OXX - K22 C7 H2 Br4 N2 S c12c(c(c(c....
171 3KXM - K74 C11 H9 Br4 N3 O S CNC(=O)CSc....
172 1LR4 - BEN C7 H8 N2 [H]/N=C(c1....
173 1OM1 Ki = 0.17 uM IQA C17 H12 N2 O3 c1ccc2c(c1....
174 1ZOH Ki = 0.1 uM K44 C10 H7 Br4 N3 C[N@@]1CCn....
175 2PVK Ki = 0.008 uM P45 C19 H14 Cl N7 c1ccc(cc1)....
176 1DAY - GNP C10 H17 N6 O13 P3 c1nc2c(n1[....
177 6KO6 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
178 6K3L Kd = 60.1 nM 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
179 6ISJ - 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
180 5OMY - 9YE C23 H25 N O3 CC(C)n1c2c....
181 6SPW ic50 = 4.5 uM DAS ASP ASP ASP ASP ASP LYS A0Z n/a n/a
182 5ONI - 9YE C23 H25 N O3 CC(C)n1c2c....
183 6XX7 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (195)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 70 families.
1 2YM8 ic50 = 0.013 uM YM8 C19 H19 Cl N6 O C[C@H](CN(....
2 5OPU Ki = 0.053 uM A3K C15 H12 N4 Cc1cccc(c1....
3 5OP4 Ki = 0.194 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 = 0.018 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 Ki = 0.0277 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 Ki = 0.0241 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 Ki = 0.0515 uM A3H C19 H16 N6 Cc1cccc(c1....
24 5OOT Ki = 0.0285 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 = 22.9 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 = 3 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 ic50 = 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 = 27 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 6Q4H - HGH C13 H11 N5 O3 c1cc(cc(c1....
51 1GIJ - 2PU C19 H22 N6 O2 c1cc2c(c(c....
52 2R3P ic50 = 900 nM 3SC C19 H12 Cl2 N6 S c1cc(c(c(c....
53 1KE8 ic50 = 1000 nM LS4 C18 H14 N4 O3 S2 c1ccc2c(c1....
54 2C6I ic50 = 11 uM DT1 C18 H22 N6 O3 S c1cc(ccc1N....
55 1PXP Ki = 0.22 uM CK8 C17 H19 N5 S Cc1c(sc(n1....
56 6Q3C - BYZ C3 H3 Br N2 c1c(cn[nH]....
57 2UZN ic50 = 0.03 uM C96 C15 H13 N3 O4 S2 [H]/N=C/1N....
58 2B55 ic50 = 96 nM D31 C24 H31 N5 O2 c1cc-2c(c(....
59 5K4J - 6QB C21 H18 Cl F N6 O2 Cn1c(ccn1)....
60 3PJ8 - 404 C19 H26 N6 O CC[C@H](CO....
61 3LFQ - A28 C17 H15 F2 N3 O CCCC(=O)Nc....
62 2W05 ic50 = 0.001 uM FRT C20 H26 N6 O3 S Cc1ncc(n1C....
63 2XNB Ki = 149 nM Y8L C19 H22 N6 O S CC1=C(SC(=....
64 1HCK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
65 5IEX - 6AF C17 H21 Br N4 O3 S C[C@H]([C@....
66 2R3H ic50 = 20000 nM SCE C13 H13 N5 Cc1cnc2n1c....
67 5LI9 - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
68 3A8W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
69 3OWL ic50 = 0.67 uM 19E C16 H11 Cl N2 O Cc1cnc(c2c....
70 5OYF - B4Q C25 H27 N3 CCc1ccccc1....
71 5H8G Kd = 48.2 pM 5Y4 C23 H29 N9 O CC(=O)Nc1c....
72 5OS7 - A8Q C16 H19 Cl N CC(C)c1ccc....
73 6YPJ - P5W C16 H12 N2 O2 S c1ccc(cc1)....
74 5OTZ Kd = 6.5 uM AUT C15 H15 Cl2 N CCc1ccccc1....
75 6HOQ - FER C10 H10 O4 COc1cc(ccc....
76 5OUM - AVK C18 H18 Cl N3 c1ccc(cc1)....
77 5B0X ic50 = 0.02 uM HCK C18 H14 N2 O4 S COc1ccc(cc....
78 5MO8 Kd = 1.64 uM C98 C26 H26 Cl N3 O4 c1ccc(cc1)....
79 6RCB ic50 = 0.33 uM JYZ C17 H14 N2 O4 COc1cc(ccc....
80 3R1N - 05B C22 H21 N5 O3 c1cc2c(cc1....
81 3BWJ Kd = 0.319 uM ARX C28 H47 N15 O7 [H]/N=C(N)....
82 6SPS - LR5 C8 H6 F3 N O c1cc(ccc1C....
83 6SPM - 3AE C8 H5 F3 O2 c1cc(ccc1C....
84 3AGL Ki = 16 nM A03 C37 H63 N17 O9 [H]/N=C(N)....
85 6SNX - UNU C7 H7 N O c1ccc(cc1)....
86 6ZN0 - NTN C6 H7 N3 c1cnccc1C(....
87 6SNN - BEZ C7 H6 O2 c1ccc(cc1)....
88 1RE8 Ki = 0.3 nM BD2 C27 H26 N2 O6 c1ccc(c(c1....
89 1SZM ic50 = 2.94 uM BI4 C27 H26 N4 O2 C[N@]1CCC[....
90 1REJ Ki = 5 nM B1L C20 H22 N2 O5 c1cc(ccc1C....
91 6SPY - LR8 C10 H13 N3 O2 c1cc(ncc1C....
92 6Z08 - NPO C6 H5 N O3 c1cc(ccc1[....
93 2Z7Q - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
94 1MQ4 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
95 6C2R Ki = 0.8 nM EG7 C24 H26 Cl F2 N5 O2 Cc1cc(n[nH....
96 5EW9 Ki < 0.01 nM 5VC C22 H21 Cl F N3 O3 S c1cc(nc(c1....
97 5ORY Kd = 357 uM AY4 C9 H6 F2 N2 O c1c[nH]nc1....
98 4CEG - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
99 6VPH - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
100 5ORV Kd = 1297 uM A65 C6 H9 N O S3 CSc1c(c(sn....
101 5OS6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
102 3DJ6 - AK6 C25 H24 N4 O3 S COc1ccc(cc....
103 5OSF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
104 2WQE - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
105 6CPF - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
106 6R4C - JRQ C16 H22 N2 O3 CCOC(=O)C[....
107 3FDN ic50 = 0.033 uM MMH C21 H22 N6 O3 Cc1c(c([nH....
108 5OOI - 9YE C23 H25 N O3 CC(C)n1c2c....
109 7A1Z ic50 = 3.38 uM QWN C5 H2 Br Cl N4 c1c2c(nc(c....
110 3KXH - K66 C11 H9 Br4 N3 O2 CN(C)c1nc2....
111 4DGM ic50 = 1.2 uM AGI C15 H10 O5 c1cc(ccc1C....
112 3PVG - K68 C9 H4 Br4 N2 O2 c1nc2c(n1C....
113 1ZOG Ki = 0.07 uM K37 C8 H4 Br4 N2 S CSc1[nH]c2....
114 2PVJ Ki = 0.005 uM P44 C19 H21 N7 c1ccc(cc1)....
115 1P4F - DRG C12 H11 N3 c1ccc-2c(c....
116 4TXC Kd = 0.24 uM 38G C24 H27 N5 O3 CN(C)CCN[C....
117 2YAK ic50 = 2 nM OSV C27 H31 F N4 O3 Ru S4 CC(C)Oc1cc....
118 5AUY ic50 = 1.6 uM MRI C15 H10 O7 c1cc(c(cc1....
119 2HY0 ic50 = 0.65 nM 306 C26 H25 N5 O c1cc2c(cc1....
120 5LVO - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
121 4XX9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
122 2XCK ic50 = 713 nM MH4 C29 H33 N9 O Cc1cc(ccn1....
123 3QD4 ic50 = 6.31 nM 3Q6 C22 H30 N8 O2 C[C@@H]1C[....
124 3RCJ ic50 = 0.8 uM 3RC C16 H13 N5 c1ccc(cc1)....
125 2PE0 - 39Z C14 H12 N2 O2 CC(c1ccc[n....
126 4CT2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
127 5ACK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
128 3HRC - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
129 5LVM - ADE C5 H5 N5 c1[nH]c2c(....
130 5MRD ic50 = 36.4 uM S26 C18 H13 Cl N2 O4 S2 CCOC(=O)C1....
131 3ION ic50 = 8 nM 8H1 C28 H27 N5 O3 COc1cc2c3c....
132 1UU7 ic50 = 14 uM BI2 C27 H26 N4 O2 C[N@@]1CCC....
133 3HRF Kd = 10.3 uM P47 C17 H15 Cl O2 c1ccc(cc1)....
134 3QCS ic50 = 0.316 uM 3Q1 C15 H17 N7 O c1cc2c(cc1....
135 1H1W - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
136 4AW1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
137 2PE2 - 464 C28 H30 N6 O3 c1cc(cc(c1....
138 3H9O ic50 = 70 nM 9BD C19 H19 N5 O3 COCCOc1cc2....
139 3QD3 ic50 = 0.00000001 M 3Q5 C22 H30 N8 O2 C[C@H]1CC[....
140 1OKY ic50 = 6.5 nM STU C28 H26 N4 O3 C[C@@]12[C....
141 3IOP ic50 = 17 nM 8I1 C28 H27 N5 O3 COc1cc2c3c....
142 2PE1 ic50 = 6 nM 517 C15 H14 N4 O2 CC(c1ccc[n....
143 3RWP Ki = 0.6 nM ABQ C24 H24 F N7 O2 CC(C)n1cc(....
144 3NAX - MP7 C28 H22 F2 N4 O4 c1ccc(cc1)....
145 3QCQ ic50 = 0.158 uM 3Q0 C13 H15 N7 CCNc1cc(nc....
146 4A06 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
147 2R5T - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
148 2JDO ic50 = 0.23 uM I5S C20 H22 Cl N3 O3 S c1cc2cnccc....
149 1O6K - GLY ARG PRO ARG THR THR SER PHE ALA GLU n/a n/a
150 3E88 Ki = 2 nM G96 C24 H27 N7 O3 CCn1c2cc(n....
151 2UW9 - GVP C20 H20 Cl N3 c1cc(ccc1c....
152 2JDR ic50 = 0.5 nM L20 C24 H23 N5 O Cc1c2cc(cc....
153 3D0E ic50 = 13 nM G93 C21 H27 N7 O3 CCn1c2c(cn....
154 3UBD Kd = 2.9 uM SL0 C25 H24 O12 CC1C(C(C(C....
155 4GUE Kd = 5.8 uM QCT C21 H20 O11 C[C@H]1[C@....
156 3G51 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
157 4NUS ic50 = 0.005 uM 2NK C22 H21 F2 N3 O CN1CCN(CC1....
158 4NW6 ic50 = 0.004 uM 2NS C23 H20 N4 O4 COc1cc(cc(....
159 4NW5 ic50 = 0.02 uM 2NR C23 H21 F N2 O5 COc1cccc(c....
160 2W7X ic50 = 24 nM D1A C18 H17 N7 O3 [H]/N=C(N)....
161 4A9U - A9U C27 H28 N4 O2 c1ccc(cc1)....
162 2YCF ic50 = 0.03 nM YCF C19 H24 N10 O3 [H]/N=C(N/....
163 4BDI ic50 = 227.7 uM HAU C14 H19 N3 O2 Cc1ccc(nc1....
164 2YCR ic50 = 69.6 nM HCW C23 H28 N10 O C/C(=NNC1=....
165 2WTJ ic50 = 0.7 uM WTJ C16 H20 N4 O3 S CN(C)CCNC(....
166 4BDB ic50 = 85.6 uM ODO C8 H9 N O3 C/C(=NO)/c....
167 2YIT ic50 = 0.29 nM YIT C21 H24 N6 O2 CCC/C(=NNC....
168 2W0J ic50 = 240 nM ZAT C19 H24 N10 O [H]/N=C(N)....
169 6CCY ic50 = 0.003 uM EX4 C29 H33 F4 N7 O C[C@@H]1CC....
170 3QKK - SMH C28 H38 N2 O7 S CCOCCN(C[C....
171 6NPZ - GLY ARG PRO ARG THR THR ZXW PHE ALA GLU n/a n/a
172 4EKL ic50 = 5 nM 0RF C24 H32 Cl N5 O2 C[C@@H]1C[....
173 3CQW ic50 = 42 nM CQW C12 H11 Cl N6 c1c(c2c([n....
174 4GV1 ic50 = 3 nM 0XZ C21 H25 Cl N6 O2 c1cc(ccc1[....
175 3MVH ic50 = 0.5 nM WFE C20 H22 F2 N6 O CCc1c[nH]c....
176 3MV5 ic50 = 180 nM XFE C11 H15 N5 Cc1c[nH]c2....
177 3QKL - SMR C29 H40 N4 O5 S CCOCC[N@@]....
178 5OTF - AQ5 C20 H24 N6 c1cnc2c(c1....
179 3TKU ic50 = 1.92 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
180 3V8S ic50 = 0.65 uM 0HD C16 H16 N4 O c1ccc(cc1)....
181 4OTH ic50 = 9 nM DRN C25 H23 N5 O2 S [H]/N=C(/N....
182 3A62 - STU C28 H26 N4 O3 C[C@@]12[C....
183 3WF9 ic50 = 567 nM FS7 C24 H25 N3 O5 S C[C@H]1CCc....
184 3WF8 ic50 = 232 nM F76 C23 H23 N3 O5 S c1ccc2c(c1....
185 4L3L - 5FI C19 H21 F3 N6 CCc1cncnc1....
186 3WE4 ic50 = 15 nM 5FI C19 H21 F3 N6 CCc1cncnc1....
187 3WF5 ic50 = 81 nM FZ8 C17 H17 N7 c1ccc2c(c1....
188 2F2U - M77 C14 H17 N3 O2 S c1cc2cnccc....
189 6C0T ic50 = 43.1 nM EE4 C30 H30 F N5 O5 CCCOc1ccc(....
190 6BXI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
191 5F9E ic50 = 0.46 nM 5VS C23 H21 N5 O2 CC1(NC(=O)....
192 1XJD Ki = 0.33 nM STU C28 H26 N4 O3 C[C@@]12[C....
193 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
194 1V0P ic50 = 0.13 uM PVB C20 H25 Cl N6 O3 CC(C)[C@H]....
195 1V0O ic50 = 5.5 uM INR C16 H10 N2 O5 S c1ccc2c(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: K37; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 K37 1 1
2 K25 0.444444 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: K37; Similar ligands found: 391
No: Ligand Similarity coefficient
1 K22 0.9674
2 K32 0.9649
3 H33 0.9406
4 209 0.9376
5 K17 0.9279
6 E7S 0.9270
7 K44 0.9249
8 TBS 0.9245
9 GI3 0.9215
10 K3Q 0.9177
11 2FQ 0.9154
12 K8X 0.9140
13 8W9 0.9136
14 GI1 0.9106
15 BGC 0.9106
16 1QV 0.9094
17 UFO 0.9085
18 3RI 0.9067
19 PHH 0.9052
20 HBO 0.9047
21 LI6 0.9047
22 K6X 0.9042
23 TEP 0.9032
24 9KT 0.9027
25 V1T 0.9020
26 BSP 0.9019
27 URC 0.9017
28 XAZ 0.9014
29 15E 0.9007
30 0FO 0.9007
31 8IG 0.9007
32 5WU 0.9007
33 NTZ 0.9006
34 5JL 0.9005
35 B55 0.9004
36 E1K 0.8989
37 MVN 0.8986
38 3MG 0.8979
39 4KL 0.8974
40 IV2 0.8972
41 NBV 0.8970
42 PH2 0.8970
43 NDM 0.8967
44 QX4 0.8966
45 8WT 0.8966
46 6RQ 0.8963
47 8TX 0.8958
48 QWW 0.8957
49 GCS 0.8951
50 B0K 0.8946
51 G12 0.8942
52 75K 0.8938
53 7MX 0.8935
54 8S0 0.8929
55 OTW 0.8928
56 BTY 0.8927
57 QX2 0.8926
58 CLZ 0.8923
59 68A 0.8923
60 GLC 0.8921
61 G3F 0.8920
62 DQU 0.8918
63 HHR 0.8912
64 GI4 0.8908
65 G1P 0.8906
66 44V 0.8905
67 R9Y 0.8900
68 UAN 0.8900
69 5JQ 0.8900
70 EGR 0.8897
71 VK3 0.8897
72 9R5 0.8891
73 F5C 0.8888
74 8NX 0.8888
75 B57 0.8887
76 GIM 0.8886
77 HQD 0.8879
78 44W 0.8878
79 4MU 0.8876
80 GNM 0.8875
81 BPU 0.8875
82 ESI 0.8874
83 G6P 0.8871
84 DNC 0.8871
85 B62 0.8869
86 CFF 0.8866
87 XHP 0.8865
88 JU2 0.8863
89 4B0 0.8860
90 JND 0.8859
91 NQ 0.8855
92 J6W 0.8854
93 6HP 0.8854
94 6ME 0.8845
95 NAG 0.8842
96 3QV 0.8842
97 FDR 0.8841
98 GAL 0.8840
99 KYA 0.8840
100 BDI 0.8838
101 JTH 0.8835
102 NDG 0.8832
103 AZ9 0.8830
104 4BY 0.8826
105 5TY 0.8826
106 680 0.8824
107 4ME 0.8823
108 DPZ 0.8822
109 0N7 0.8819
110 SHG 0.8818
111 428 0.8818
112 APZ 0.8817
113 NPL 0.8816
114 KTW 0.8815
115 UNJ 0.8814
116 6VD 0.8813
117 N8Y 0.8813
118 7B3 0.8812
119 N7I 0.8812
120 H5B 0.8809
121 MS9 0.8809
122 3ZB 0.8809
123 PFB 0.8808
124 NGO 0.8807
125 KLK 0.8802
126 4TU 0.8802
127 BDP 0.8799
128 CKU 0.8795
129 RXA 0.8793
130 AMR 0.8792
131 2K8 0.8790
132 HTP 0.8789
133 2AK 0.8786
134 SYR 0.8786
135 DNA 0.8785
136 NBG 0.8784
137 PQ0 0.8779
138 MRW 0.8779
139 AEZ 0.8778
140 2JK 0.8777
141 PLP 0.8775
142 DK1 0.8775
143 226 0.8774
144 FLV 0.8772
145 1M2 0.8770
146 LGC 0.8768
147 EMZ 0.8766
148 C9E 0.8760
149 B56 0.8757
150 4BL 0.8754
151 KG1 0.8753
152 MFZ 0.8753
153 3R6 0.8753
154 CTS 0.8752
155 TXW 0.8747
156 5VM 0.8747
157 K68 0.8746
158 ZYR 0.8744
159 5WT 0.8735
160 1X7 0.8735
161 X0W 0.8734
162 4XS 0.8733
163 0W1 0.8733
164 TWO 0.8733
165 2D0 0.8731
166 1X8 0.8731
167 28N 0.8730
168 55D 0.8729
169 FF2 0.8727
170 1P8 0.8727
171 NOJ 0.8726
172 JR2 0.8726
173 F2W 0.8726
174 M1Q 0.8721
175 5RO 0.8720
176 SJK 0.8720
177 AA 0.8719
178 BPY 0.8716
179 CWM 0.8716
180 4YO 0.8714
181 0FK 0.8713
182 PRF 0.8713
183 RPQ 0.8713
184 NQH 0.8713
185 A7W 0.8712
186 L07 0.8709
187 JP2 0.8709
188 7I2 0.8708
189 DIN 0.8708
190 SG2 0.8705
191 SYV 0.8705
192 4R1 0.8705
193 8HC 0.8704
194 BEA 0.8704
195 9LI 0.8704
196 L46 0.8704
197 B60 0.8703
198 GZL 0.8703
199 N2I 0.8698
200 A1Y 0.8696
201 JA8 0.8694
202 K82 0.8694
203 CWS 0.8693
204 8ZE 0.8693
205 36R 0.8692
206 30G 0.8692
207 0TU 0.8691
208 0P6 0.8691
209 H7Y 0.8690
210 THA 0.8688
211 DEE 0.8688
212 A7H 0.8686
213 FDB 0.8686
214 KJU 0.8685
215 INE 0.8685
216 BK9 0.8684
217 8MO 0.8684
218 HRM 0.8684
219 3Z8 0.8683
220 VGD 0.8681
221 QBK 0.8680
222 537 0.8679
223 8CM 0.8677
224 EN1 0.8676
225 6KT 0.8676
226 BG6 0.8676
227 HHS 0.8675
228 KUF 0.8672
229 GDL 0.8672
230 2EC 0.8672
231 582 0.8671
232 MT0 0.8671
233 VXX 0.8670
234 ANF 0.8670
235 MAQ 0.8666
236 AJY 0.8665
237 UXH 0.8664
238 SYA 0.8663
239 F1A 0.8662
240 MUA 0.8662
241 ES0 0.8661
242 GNV 0.8661
243 4AA 0.8660
244 KT7 0.8660
245 1KP 0.8659
246 TSS 0.8659
247 CKA 0.8659
248 AJ2 0.8658
249 JG8 0.8658
250 ES2 0.8657
251 HZQ 0.8657
252 GO8 0.8656
253 M5K 0.8656
254 5GU 0.8656
255 3J8 0.8654
256 4XV 0.8654
257 CWJ 0.8652
258 KDV 0.8652
259 VNL 0.8652
260 Q88 0.8651
261 CLW 0.8650
262 DIU 0.8650
263 4RU 0.8649
264 8NB 0.8649
265 D48 0.8649
266 SKA 0.8648
267 3PF 0.8647
268 92P 0.8647
269 MVL 0.8644
270 DNF 0.8643
271 ARP 0.8642
272 MQN 0.8642
273 BZ2 0.8641
274 OA3 0.8640
275 1HN 0.8639
276 XFE 0.8635
277 1A7 0.8632
278 LDR 0.8630
279 ZZZ 0.8630
280 B2E 0.8630
281 7WR 0.8629
282 2H5 0.8629
283 N2M 0.8628
284 HQT 0.8627
285 QWN 0.8626
286 DRG 0.8626
287 64E 0.8625
288 4JQ 0.8624
289 ALE 0.8623
290 XIY 0.8623
291 G3E 0.8623
292 C09 0.8622
293 495 0.8621
294 X0U 0.8620
295 9AP 0.8620
296 LDP 0.8620
297 GF4 0.8619
298 0CU 0.8617
299 8XQ 0.8617
300 M78 0.8613
301 IBM 0.8611
302 ET2 0.8611
303 2GQ 0.8611
304 B5D 0.8611
305 CIY 0.8608
306 CKX 0.8608
307 K2T 0.8607
308 BNT 0.8606
309 7W1 0.8606
310 PXL 0.8605
311 KIB 0.8605
312 7VJ 0.8604
313 PMP 0.8603
314 KJH 0.8603
315 5QX 0.8603
316 JTA 0.8602
317 GCU 0.8600
318 Y3L 0.8598
319 QXW 0.8597
320 AJV 0.8597
321 82I 0.8597
322 HNQ 0.8596
323 LIP 0.8596
324 5OF 0.8595
325 J5I 0.8595
326 ITE 0.8595
327 AH9 0.8594
328 QPR 0.8594
329 AQO 0.8594
330 EXD 0.8593
331 MXX 0.8592
332 GJP 0.8591
333 X8D 0.8590
334 Q24 0.8589
335 FBB 0.8589
336 SE2 0.8588
337 DMD 0.8587
338 12Q 0.8584
339 9MG 0.8584
340 XG1 0.8583
341 94W 0.8583
342 ANC 0.8582
343 JF2 0.8582
344 MEW 0.8580
345 C2U 0.8580
346 344 0.8579
347 AZ8 0.8576
348 I6G 0.8575
349 TTY 0.8575
350 3Y7 0.8575
351 W81 0.8574
352 PE0 0.8571
353 39O 0.8571
354 Z5P 0.8571
355 GCB 0.8571
356 M4E 0.8570
357 TOF 0.8569
358 AX3 0.8569
359 4HC 0.8567
360 YH7 0.8567
361 HPT 0.8567
362 37T 0.8564
363 3VX 0.8563
364 5WY 0.8559
365 KJY 0.8558
366 64C 0.8558
367 6X9 0.8556
368 27B 0.8556
369 JF1 0.8555
370 GLA 0.8554
371 ZVO 0.8553
372 QIV 0.8552
373 6QF 0.8552
374 12B 0.8551
375 2HQ 0.8550
376 PEY 0.8550
377 0JD 0.8550
378 4M0 0.8549
379 5NU 0.8549
380 DRL 0.8544
381 SHA 0.8543
382 4VS 0.8540
383 HJP 0.8539
384 DX4 0.8536
385 B53 0.8535
386 NID 0.8533
387 FA0 0.8532
388 9ZE 0.8532
389 M6N 0.8531
390 N3W 0.8527
391 DHK 0.8519
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PVN; Ligand: P63; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 2pvn.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
1 3SRV S19 19.6023
2 1BYG STU 29.4964
3 4UX9 ANP 41.7614
4 6FYV 3NG 45.4545
5 6FYL 3NG 46.3068
6 5X8I SQZ 46.3068
7 1V0O INR 46.5278
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