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Receptor
PDB id Resolution Class Description Source Keywords
3TXO 2.05 Å EC: 2.7.11.13 PKC ETA KINASE IN COMPLEX WITH A NAPHTHYRIDINE HOMO SAPIENS KINASE PHOSPHOTRANSFERASE TRANSFERASE-TRANSFERASE INHIBITO
Ref.: 2,6-NAPHTHYRIDINES AS POTENT AND SELECTIVE INHIBITO NOVEL PROTEIN KINASE C ISOZYMES. BIOORG.MED.CHEM.LETT. V. 21 7367 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
07U A:1;
Valid;
none;
ic50 = 9 nM
293.366 C17 H19 N5 CC(C)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TXO 2.05 Å EC: 2.7.11.13 PKC ETA KINASE IN COMPLEX WITH A NAPHTHYRIDINE HOMO SAPIENS KINASE PHOSPHOTRANSFERASE TRANSFERASE-TRANSFERASE INHIBITO
Ref.: 2,6-NAPHTHYRIDINES AS POTENT AND SELECTIVE INHIBITO NOVEL PROTEIN KINASE C ISOZYMES. BIOORG.MED.CHEM.LETT. V. 21 7367 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3TXO ic50 = 9 nM 07U C17 H19 N5 CC(C)(CNc1....
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: 07U; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 07U 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TXO; Ligand: 07U; Similar sites found with APoc: 452
This union binding pocket(no: 1) in the query (biounit: 3txo.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2XZ9 PYR 1.23457
2 3ETH ATP 1.41643
3 1F0X FAD 1.41643
4 4FFG LBS 1.41643
5 2Z49 AMG 1.41643
6 4NFN 2KC 1.61812
7 4RDL FUC GAL NDG FUC 1.62338
8 2PYW ADP 1.69972
9 5OES ADP 1.69972
10 1KJ8 ATP 1.69972
11 1KJ8 GAR 1.69972
12 2Q7D ANP 1.7341
13 1Z2P ACP 1.85185
14 1Z2P I3S 1.85185
15 1M0W ANP 1.983
16 5AE9 OKO 1.983
17 2CFM AMP 1.983
18 3LOO B4P 1.983
19 6EZ6 C5Z 1.983
20 1S68 AMP 2.00803
21 1E4E ADP 2.04082
22 4ZGP ADP 2.04778
23 1HZP DAO 2.08955
24 4NZN ANP 2.12121
25 4NZN 2OU 2.12121
26 1ONI BEZ 2.17391
27 1I7L ATP 2.26537
28 3WVR AMP 2.26629
29 3V4S ATP 2.26629
30 3V4S ADP 2.26629
31 3X01 AMP 2.26629
32 3ACT BGC 2.26629
33 4G2R H1L 2.26629
34 5C1P DAL DAL 2.28758
35 5C1P ADP 2.28758
36 4JN6 OXL 2.28758
37 3W0O HY0 2.29226
38 3W0O ADP 2.29226
39 1ZTH ADP 2.32558
40 3RE4 TO1 2.32558
41 1ZP9 ATP 2.32558
42 5IGI ZIT 2.32558
43 3OJF NDP 2.33463
44 5IVE 6E8 2.42424
45 3VPC ADP 2.48227
46 1CBK ROI 2.5
47 4CC6 L5Y 2.51572
48 5EQY 5RA 2.54958
49 4R78 AMP 2.589
50 3TTM PUT 2.60116
51 2VDJ HSE 2.65781
52 6FL8 TIY 2.83286
53 6FL8 ADP 2.83286
54 3UDZ ADP 2.83286
55 4OCJ NDG 2.83286
56 4U98 ACP 2.83286
57 2QK4 ATP 2.83286
58 3W5N RAM 2.83286
59 3TTN SPD 2.94118
60 6E8I PTR 2.95858
61 1CKM GTP 3.0303
62 1CKN GTP 3.0303
63 4OCV ANP 3.11615
64 5YK1 ANP 3.11615
65 5VLQ ANP 3.11615
66 4UWH JXM 3.11615
67 4PU5 ANP 3.11615
68 1PVN MZP 3.11615
69 3I0O ADP 3.24484
70 6CGD AKN 3.27869
71 6CGD GNP 3.27869
72 5K2M ADP 3.2967
73 5EXK 5AD 3.32326
74 3PAK MAN 3.37838
75 3AKK ADP 3.38462
76 2YW2 ATP 3.39943
77 2IO8 ADP 3.39943
78 1T36 ADP 3.39943
79 2QF7 AGS 3.39943
80 2BMB PMM 3.39943
81 3HQP OXL 3.39943
82 6F97 FAD 3.39943
83 3TM0 B31 3.42205
84 3TM0 ANP 3.42205
85 4XYM A12 3.47826
86 4XZ3 ACP 3.47826
87 2ET1 GLV 3.48259
88 4FE2 ADP 3.52941
89 4AVB CMP 3.6036
90 1PK8 ATP 3.68272
91 2R7K AMZ 3.68272
92 2R7K ACP 3.68272
93 5OLK DTP 3.68272
94 2G50 PYR 3.68272
95 4IP7 FLC 3.68272
96 3T1A 5MA 3.68272
97 4KCT PYR 3.68272
98 4JGP PYR 3.68664
99 4CS9 AMP 3.7037
100 1A99 PUT 3.77907
101 4OUJ LBT 3.90879
102 3K5I ADP 3.96601
103 3K5I AIR 3.96601
104 3ILR IXD 3.96601
105 3ILR SGN 3.96601
106 1GSA ADP 4.11392
107 1AUX AGS 4.18006
108 5C8W PCG 4.1958
109 4BTK DTQ 4.24929
110 2PUL ACP 4.24929
111 2HGS ADP 4.24929
112 2YRX AMP 4.24929
113 3TY5 ATP 4.24929
114 5TDF ADP 4.32099
115 3LQV ADE 4.34783
116 1TZD ADP 4.36364
117 2QX0 PH2 4.40252
118 3BP1 GUN 4.48276
119 2AQX ATP 4.49827
120 1M26 GAL A2G 4.51128
121 1EHI ADP 4.53258
122 4ZS4 ATP 4.56026
123 3VPD ANP 4.62633
124 2GQR ADP 4.64135
125 4N9I PCG 4.7619
126 3WO0 ADP 4.81586
127 3WO0 ALA 4.81586
128 5IM3 DTP 4.81586
129 5FI4 5XV 4.81586
130 5DXT 5H5 4.81586
131 2GQS ADP 5.06329
132 2ZL7 FUC GAL NGA 5.08475
133 3PDT ADP 5.09091
134 4GYI ADP 5.09915
135 3DNT ATP 5.09915
136 6C1S EFV 5.09915
137 1IOW ADP 5.22876
138 1IOW PHY 5.22876
139 2BKK ADP 5.32544
140 3VPB ADP 5.35714
141 5I35 ANP 5.38244
142 3KAL ADP 5.38244
143 3OIG NAD 5.38244
144 1JXZ BCA 5.57621
145 1NZY BCA 5.57621
146 1OS7 AKG 5.65371
147 3TII ANP 5.66572
148 4LH7 1X8 5.88235
149 4DFU QUE 5.90062
150 5C4L 4XR 5.919
151 5C4L SIS 5.919
152 2IF8 ADP 5.94901
153 3ORQ ADP 5.94901
154 1TQP ATP 6.02837
155 4CYI ATP 6.23229
156 5VZ0 ADP 6.23229
157 2ZYI STE 6.23229
158 4LRJ ANP 6.50888
159 2V58 LZJ 6.51558
160 4LHD GLY 6.51558
161 4C5N PXL 6.52174
162 4C5N ACP 6.52174
163 2PYY GLU 6.57895
164 4OAV ACP 6.79887
165 2VPQ ANP 6.79887
166 2VQD AP2 6.79887
167 5TT6 ATP 6.79887
168 3TDV GDP 6.86275
169 5COU ATP 7.05882
170 4IX4 ADP 7.14286
171 5GZ9 ANP 7.21311
172 4O1P ANP 7.36544
173 5DZT AMP 7.36544
174 5MW8 ATP 7.64873
175 4PZ6 GMP 7.64873
176 4GLW 0XT 7.86885
177 4MV1 ADP 7.90598
178 5WS9 OXL 7.93201
179 4XH0 ADP 8.2153
180 4EN4 GT1 8.33333
181 4EN4 GT0 8.33333
182 4EN4 ATP 8.33333
183 3MMH SME 8.38323
184 3OCP CMP 8.63309
185 3ZS7 ATP 8.66667
186 1W2D ADP 8.67924
187 1W2D 4IP 8.67924
188 6G34 5ID 8.68347
189 4OUC 5ID 8.68347
190 3PN1 IVH 9.1195
191 5ZCT ANP 9.15033
192 1OGX EQU 9.16031
193 2YLN CYS 9.18728
194 4Q5H ANP 9.21053
195 6E2B PT7 9.21053
196 5FS0 5JC 9.47867
197 3VOT ADP 9.63173
198 1IA9 ANP 10.3571
199 2CSN CKI 10.4377
200 5KBE IPH 10.4803
201 4O4F ATP 10.4839
202 4O4F IHP 10.4839
203 4WW7 AMP 10.728
204 3AB4 THR 11.236
205 5DMZ ADP 11.6147
206 3Q60 ATP 11.6147
207 3HAV ATP 12.3746
208 4AZW ATP 12.4646
209 3RGA LSB 14.4876
210 1KJ1 MAN 14.6789
211 3VHE 42Q 15.2975
212 5LXT ACP 15.3846
213 5CKW ANP 16.1473
214 5MY8 RXZ 17.5637
215 6AC9 ANP 17.5637
216 4QTB 38Z 18.4136
217 5C03 AGS 19.0058
218 2PZI AXX 19.2635
219 4JR7 GNP 19.7861
220 6GZD LCI 19.83
221 4WOV 3SM 20.5047
222 1NNU NAD 21.6667
223 1NNU TCT 21.6667
224 5KO1 6UY 21.9081
225 4I94 ANP 22.6667
226 4Y0X ADP 22.9333
227 5W4W 9WG 23.8671
228 4KBA 1QM 23.8671
229 5OKT 9XK 23.8854
230 4G17 0VN 24.2424
231 4Y85 499 24.6988
232 5OMY 9YE 24.8082
233 3C1X CKK 25.2125
234 2H8H H8H 25.779
235 1Y57 MPZ 25.779
236 4FL3 ANP 26.0623
237 4CRL C1I 26.6289
238 4F9C 0SX 26.6289
239 2WU6 DKI 26.9122
240 6FYL 3NG 26.9122
241 4IJP 1EH 26.9122
242 4E93 GUI 27.1955
243 5EKO N17 27.1955
244 5UIU 8CG 27.2446
245 6FYV 3NG 27.2997
246 2B9I ADP 27.4788
247 2B9J ADP 27.4788
248 3TTI KBI 27.4788
249 4WHZ 3NL 27.4788
250 5WNL STU 27.4854
251 5EOB 5QQ 27.5862
252 6G33 5ID 27.7286
253 6BFN DL1 27.7778
254 2B9F ADP 28.0453
255 1Q8Y ADP 28.0453
256 5AWM ANP 28.0453
257 1Q8Y ADE 28.0453
258 5T8O 76Z 28.0802
259 5X8I SQZ 28.3237
260 5Y86 HRM 28.3286
261 1VJY 460 28.3828
262 3H9R TAK 28.4848
263 4OH4 ANP 28.5285
264 4IDT T28 28.6119
265 4ASE AV9 28.6119
266 5LPZ ADP 28.6145
267 3PE2 E1B 28.7834
268 5QIN J2V 28.7975
269 1CM8 ANP 28.8952
270 3VRY B43 28.8952
271 4H3Q ANP 28.8952
272 4H3P ANP 28.8952
273 5YF9 NIO 28.9086
274 3LXN MI1 28.9308
275 4M69 ANP 29.0735
276 4P5Z Q7M 29.1785
277 3PTG 932 29.1785
278 2PVN P63 29.2614
279 4BHN BH9 29.3413
280 5USZ SKE 29.4118
281 4LOO SB4 29.745
282 3PP0 03Q 29.8817
283 6GIN IR2 29.9003
284 5HCY 60D 29.9094
285 5BVE 4VG 29.9169
286 3E7O 35F 30.0283
287 3ZRM ZRM 30.0283
288 6GWR FEW 30.1587
289 3ALN ANP 30.2752
290 3F7Z 34O 30.2857
291 4U44 3D9 30.4217
292 4GJ3 0XP 30.4636
293 3E8N VRA 30.4985
294 3E8N ATP 30.4985
295 4UX9 ANP 30.5949
296 4NM5 ADP 30.5949
297 4IZY 1J2 30.5949
298 6ES0 BW8 30.5994
299 5JGA 6KC 30.7937
300 6F3G CJN 30.8475
301 1O9U ADZ 30.8571
302 3PLS ANP 30.8725
303 3GNI ATP 30.8782
304 3LXK MI1 30.8869
305 4EUU BX7 31.348
306 5WO4 B7V 31.457
307 2QLU ADE 31.5287
308 5HES 032 31.5961
309 3NW7 LGV 31.5961
310 4E1Z 0MX 31.6151
311 6A1G 9OL 31.728
312 3G5D 1N1 31.8182
313 4NST ADP 31.9088
314 4AG8 AXI 31.962
315 4K33 ACP 32
316 3GC8 B45 32.0113
317 2PVF ACP 32.0359
318 5HVJ ANP 32.0635
319 5LPB ADP 32.0946
320 1K3A ACP 32.107
321 2WQN ADP 32.2581
322 5EFQ ADP 32.2767
323 2JLD AG1 32.2946
324 1JPA ANP 32.6923
325 5MJA 7O3 32.7869
326 2OO8 RAJ 32.8076
327 3UIM ANP 32.8221
328 1OPK P16 32.8612
329 5NKB 8ZT 33.0065
330 5U6C 7YS 33.0159
331 5JKG 6LF 33.119
332 3GQI ACP 33.1288
333 4YZC STU 33.1445
334 3SRV S19 33.213
335 6C7Y ADP 33.2168
336 6E2O S0L 33.2203
337 2X2M X2M 33.4395
338 1U59 STU 33.4495
339 2Y6O 1N1 33.677
340 4F4P 0SB 33.6996
341 5JFS 6K0 33.7662
342 4QMN DB8 33.871
343 4XV1 904 33.9041
344 2OFV 242 33.935
345 5ZTN CUR 33.9943
346 5TA6 79D 33.9943
347 2XVD AS6 34.106
348 6GQM F8H 34.1463
349 4UXL 5P8 34.1615
350 4EWH T77 34.1818
351 4Y93 746 34.2776
352 4CLI 5P8 34.5566
353 5UR1 YY9 34.7267
354 3BZ3 YAM 34.7826
355 4G31 0WH 34.7826
356 3RI1 3RH 34.8243
357 5TO8 7FM 35.1064
358 4AT3 LTI 35.1171
359 2YAB AMP 35.1275
360 4Y8D 49J 35.2941
361 4N70 2HX 35.3659
362 5VCV 1N1 35.3698
363 5H2U 1N1 35.5805
364 1BYG STU 35.6115
365 4CQE CQE 35.6115
366 3DLS ADP 35.8209
367 3KRL KRL 35.8209
368 5M06 ADP 35.8696
369 3GGF GVD 35.8804
370 6CZ3 FLJ 35.9848
371 5CEO 50D 36
372 3FC2 IBI 36.1194
373 3GC0 AMP 36.1702
374 3EKK GS2 36.8078
375 4AUA 4AU 36.8272
376 3BU5 ATP 36.9281
377 1IR3 ANP 36.9281
378 3CY2 MB9 36.9427
379 1ZY5 ANP 36.9637
380 4CSV STI 37.0909
381 4A4X JUP 37.276
382 5VC5 96M 37.3702
383 3ORK AGS 37.6206
384 2HK5 1BM 37.7778
385 4X7Q 3YR 37.8205
386 3KN5 ANP 37.8462
387 3HMO STU 38.0117
388 4KS7 X4Z 38.0137
389 4YMJ 4EJ 38.1579
390 5Y80 IRE 38.3387
391 3C0G 3AM 38.4615
392 3DAK ANP 38.6207
393 4U0I 0LI 38.7302
394 3IGO ANP 38.8102
395 3HZT J60 39.0935
396 4RFM 3P6 39.0977
397 3M2W L8I 39.1304
398 4ONA UW1 39.3768
399 3FHR P4O 39.5833
400 5UPK ANP 39.5954
401 3KMW ATP 39.8524
402 3SXS PP2 39.9254
403 2RIO ADP 39.9433
404 2V7O DRN 40.1786
405 6CMJ F6J 40.1869
406 2F57 23D 40.3785
407 4BFM ANP 40.4192
408 5N87 N66 41.2141
409 5DEY 59T 41.4141
410 2WEL K88 41.5902
411 5FBN 5WF 41.6974
412 5IH9 6BF 41.791
413 4WNP 3RJ 41.8118
414 2A19 ANP 42.2535
415 4YZN 4K5 42.5087
416 5AX9 4KT 42.5325
417 4TWP AXI 42.8044
418 4I6H 1C8 42.8571
419 3SLS ANP 43.0921
420 4AU8 Z3R 43.5811
421 1PHK ATP 44.2953
422 2VZ6 FEF 44.4089
423 2XK9 XK9 44.4099
424 3O0G 3O0 44.5205
425 1UNH IXM 44.5205
426 5JZJ AN2 44.7811
427 5A6N U7E 44.8763
428 2J7T 274 45.0331
429 2VN9 GVD 45.1827
430 2ZV2 609 45.302
431 4WNK 453 45.6091
432 5DRB 5FJ 45.7045
433 5HQ0 LZ9 46.3576
434 6GU6 1QK 46.3576
435 4FG8 ATP 46.6667
436 4PNI KQQ 46.7422
437 4L9I 8PR 46.7422
438 5XVG 8FX 46.7577
439 5LXM ADP 46.9965
440 5ODT ADP 47.3498
441 4CFU 2WC 47.5248
442 6GUE FB8 47.6821
443 5G1X ADP 47.7193
444 5L8L ADP 47.7193
445 2WEI VGG 47.7352
446 4BCQ TJF 47.8405
447 4BCM T7Z 47.8405
448 4BCN T9N 48
449 5LMK 6ZK 48.4848
450 2BPM 529 48.8673
451 3PVW QRX 49.8584
452 5UKL SIX 49.8584
453 2B9H ADP 50
454 5EH0 5NW 50
455 3E5A VX6 50
456 3AQV TAK 50
Pocket No.: 2; Query (leader) PDB : 3TXO; Ligand: 07U; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 3txo.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 6B9T 2HE 1.41643
2 1SQL GUN 2.73973
3 1C5C TK4 3.73832
4 2GOO NDG 7.89474
Pocket No.: 3; Query (leader) PDB : 3TXO; Ligand: 07U; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3txo.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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