Receptor
PDB id Resolution Class Description Source Keywords
3TKU 2.15 Å EC: 2.7.11.1 MRCK BETA IN COMPLEX WITH FASUDIL HOMO SAPIENS PROTEIN KINASE SERINE THREONINE KINASE MRCK MRCK BETA CDPROTEIN KINASE BETA FASUDIL TRANSFERASE-TRANSFERASE INHIBCOMPLEX
Ref.: CO-CRYSTAL STRUCTURES OF INHIBITORS WITH MRCK, A KE REGULATOR OF TUMOR CELL INVASION PLOS ONE V. 6 24825 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:420;
B:420;
 Invalid;
Invalid;
 none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
M77 A:418;
A:419;
B:418;
B:419;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 ic50 = 1.92 uM
291.369 C14 H17 N3 O2 S c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UAL 1.71 Å EC: 2.7.11.1 MRCK BETA IN COMPLEX WITH BDP00005290 HOMO SAPIENS MYOTONIC DYSTROPHY KINASE-RELATED CDC42-BINDING KINASE METACELL INVASION TRANSFERASE
Ref.: A NOVEL SMALL-MOLECULE MRCK INHIBITOR BLOCKS CANCER INVASION. CELL COMMUN. SIGNAL V. 12 54 2014
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 133 families.
1 5OTE - AQE C19 H23 N5 S c1cnc2c(c1....
2 4UAK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4UAL Ki = 4 nM 3FV C17 H18 Cl N7 O c1ccnc(c1)....
4 5OTF - AQ5 C20 H24 N6 c1cnc2c(c1....
5 3TKU ic50 = 1.92 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 101 families.
1 5OTE - AQE C19 H23 N5 S c1cnc2c(c1....
2 4UAK - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 4UAL Ki = 4 nM 3FV C17 H18 Cl N7 O c1ccnc(c1)....
4 5OTF - AQ5 C20 H24 N6 c1cnc2c(c1....
5 3TKU ic50 = 1.92 uM M77 C14 H17 N3 O2 S c1cc2cnccc....
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: M77; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 M77 1 1
2 LRT 0.540541 0.910448
3 HFS 0.540541 0.884058
4 6G1 0.538462 0.818182
5 FWG 0.531646 0.833333
6 FWM 0.525 0.794118
7 IQP 0.513158 0.863636
8 7KB 0.506494 0.983871
9 FWJ 0.488095 0.75
10 FWV 0.482353 0.76
11 FWY 0.471264 0.72
12 FWP 0.431579 0.675
13 7CT 0.42029 0.671875
Similar Ligands (3D)
Ligand no: 1; Ligand: M77; Similar ligands found: 242
No: Ligand Similarity coefficient
1 H52 0.9531
2 U8K 0.9339
3 QS4 0.9290
4 LI4 0.9288
5 TCW 0.9234
6 0QV 0.9209
7 LVB 0.9183
8 4K2 0.9170
9 QNI 0.9134
10 AP6 0.9126
11 Q5M 0.9102
12 TQ4 0.9099
13 TQ3 0.9098
14 P2M 0.9093
15 AEY 0.9086
16 1Q4 0.9073
17 4YE 0.9072
18 4YF 0.9062
19 G1N 0.9053
20 FY8 0.9052
21 LVE 0.9052
22 3AK 0.9038
23 3WO 0.9031
24 3WN 0.9031
25 D5F 0.9025
26 SFQ 0.9015
27 IQS 0.9014
28 6TX 0.9013
29 NQ7 0.9010
30 D4O 0.9008
31 EXG 0.9003
32 92O 0.8999
33 MH5 0.8997
34 BC3 0.8995
35 B2L 0.8993
36 531 0.8986
37 F0C 0.8981
38 IQU 0.8981
39 3WK 0.8977
40 PYV 0.8967
41 XYP XIM 0.8963
42 S0I 0.8959
43 25K 0.8959
44 H35 0.8955
45 6DQ 0.8952
46 9E3 0.8947
47 536 0.8942
48 NAR 0.8942
49 EMU 0.8941
50 NEU 0.8933
51 6SX 0.8931
52 4JV 0.8928
53 12R 0.8927
54 IM4 0.8921
55 Q0Y 0.8919
56 HA6 0.8916
57 FNA 0.8905
58 0J4 0.8899
59 LP8 0.8899
60 6SZ 0.8898
61 15I 0.8892
62 GEN 0.8891
63 H4B 0.8889
64 7G1 0.8884
65 A4V 0.8883
66 HBI 0.8883
67 D64 0.8881
68 CMP 0.8879
69 MQ1 0.8873
70 SCE 0.8873
71 H2B 0.8868
72 TYP 0.8866
73 SIJ 0.8864
74 OA4 0.8861
75 LFK 0.8860
76 AX8 0.8860
77 ON1 0.8855
78 0OK 0.8853
79 VJJ 0.8851
80 FMC 0.8843
81 MW5 0.8842
82 26A 0.8841
83 B5A 0.8839
84 3D8 0.8837
85 AGI 0.8837
86 TGW 0.8833
87 C0Y 0.8830
88 ZEA 0.8828
89 CBE 0.8826
90 ARJ 0.8823
91 MQR 0.8820
92 Z25 0.8820
93 092 0.8819
94 HVE 0.8818
95 GZV 0.8817
96 QEI 0.8817
97 C8Z 0.8816
98 4P8 0.8815
99 LU2 0.8814
100 SP1 0.8812
101 IXG 0.8810
102 QUG 0.8808
103 2L2 0.8805
104 ADN 0.8805
105 RNK 0.8805
106 Y3J 0.8804
107 MPU 0.8801
108 AX5 0.8799
109 4AB 0.8796
110 JO5 0.8796
111 5BX 0.8795
112 78U 0.8795
113 NXB 0.8795
114 WLH 0.8794
115 BIO 0.8788
116 GJW 0.8787
117 C4F 0.8779
118 5WN 0.8777
119 5P7 0.8777
120 5XM 0.8776
121 EF2 0.8776
122 D4X 0.8773
123 G30 0.8773
124 6EL 0.8772
125 CQW 0.8767
126 5XK 0.8766
127 5F7 0.8766
128 JOB 0.8766
129 5WK 0.8765
130 CKI 0.8765
131 4BH 0.8764
132 3WJ 0.8764
133 7A9 0.8762
134 CC5 0.8755
135 5XL 0.8750
136 STC 0.8749
137 CX5 0.8749
138 DFL 0.8745
139 4GU 0.8745
140 QC1 0.8742
141 5FD 0.8737
142 FMB 0.8735
143 N1Y 0.8734
144 5AD 0.8730
145 NOC 0.8726
146 I0D 0.8724
147 6SW 0.8723
148 L3L 0.8722
149 IAG 0.8720
150 7CH 0.8718
151 R75 0.8718
152 PCG 0.8717
153 MQS 0.8717
154 5PK 0.8716
155 6Q9 0.8708
156 BHS 0.8708
157 IKY 0.8707
158 5I5 0.8703
159 7VY 0.8703
160 KMP 0.8701
161 LLG 0.8697
162 1A6 0.8696
163 B52 0.8696
164 5AV 0.8694
165 DYZ 0.8693
166 Y70 0.8692
167 35G 0.8691
168 3JC 0.8690
169 TRP 0.8690
170 AX4 0.8687
171 8P3 0.8686
172 7AP 0.8686
173 INI 0.8683
174 AUE 0.8682
175 3L1 0.8681
176 B2X 0.8678
177 M3F 0.8677
178 LVY 0.8675
179 159 0.8673
180 XY2 0.8666
181 X8I 0.8663
182 AUG 0.8662
183 SFY 0.8661
184 XYS XYS 0.8660
185 RE4 0.8658
186 2AN 0.8656
187 IM5 0.8656
188 7WD 0.8656
189 5VU 0.8648
190 28E 0.8647
191 AV6 0.8646
192 22T 0.8646
193 HHV 0.8644
194 NIY 0.8641
195 ELH 0.8641
196 47X 0.8640
197 S7V 0.8639
198 4L2 0.8638
199 7ZO 0.8637
200 RCM 0.8636
201 FCW 0.8635
202 F4U 0.8634
203 M02 0.8634
204 6MD 0.8633
205 GLA GAL 0.8633
206 ZIP 0.8632
207 FUZ 0.8630
208 DFV 0.8630
209 F91 0.8629
210 HZ8 0.8622
211 0X2 0.8619
212 4KN 0.8615
213 8OX 0.8614
214 WCU 0.8606
215 GPK 0.8605
216 DTR 0.8600
217 NAL 0.8597
218 CUH 0.8593
219 96Z 0.8591
220 7L4 0.8587
221 XYP XYP 0.8584
222 5F1 0.8581
223 20D 0.8581
224 XYP XDN 0.8580
225 C1E 0.8579
226 XYP XYS 0.8578
227 7VF 0.8576
228 H7S 0.8565
229 BIE 0.8564
230 JA3 0.8562
231 555 0.8561
232 ZYW 0.8561
233 Q9P 0.8551
234 TKT 0.8551
235 0OO 0.8549
236 1V1 0.8546
237 TAL 0.8525
238 7QY 0.8524
239 3IP 0.8524
240 5C1 0.8521
241 AOY 0.8516
242 AZC 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UAL; Ligand: 3FV; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 4ual.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4CRL C1I 24.1379
2 1BYG STU 34.8921
3 6CMJ F6J 41.7445
Pocket No.: 2; Query (leader) PDB : 4UAL; Ligand: 3FV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ual.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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