Receptor
PDB id Resolution Class Description Source Keywords
3DYN 2.1 Å EC: 3.1.4.35 HUMAN PHOSPHODIESTRASE 9 IN COMPLEX WITH CGMP (ZN INHIBITED) HOMO SAPIENS PHOPHODIESTRASE ENZYME MECHANISM CGMP HYDROLASE MANGANESBINDING PHOSPHOPROTEIN
Ref.: STRUCTURAL BASIS FOR THE CATALYTIC MECHANISM OF HUM PHOSPHODIESTERASE 9. PROC.NATL.ACAD.SCI.USA V. 105 13309 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IBM B:903;
Valid;
none;
submit data
222.244 C10 H14 N4 O2 CC(C)...
MG A:902;
B:902;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PCG A:903;
B:900;
Valid;
Valid;
none;
none;
submit data
345.205 C10 H12 N5 O7 P c1nc2...
ZN A:901;
B:901;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4E90 2.5 Å EC: 3.1.4.35 HUMAN PHOSPHODIESTERASE 9 IN COMPLEX WITH INHIBITORS HOMO SAPIENS HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: APPLICATION OF STRUCTURE-BASED DRUG DESIGN AND PARA CHEMISTRY TO IDENTIFY SELECTIVE, BRAIN PENETRANT, I ACTIVE PHOSPHODIESTERASE 9A INHIBITORS. J.MED.CHEM. V. 55 9055 2012
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2HD1 ic50 ~ 500 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
2 4G2J ic50 = 11 nM 0WF C21 H25 N5 O2 C[C@H](C1=....
3 3K3H - BYE C15 H12 Cl F3 N4 O C[C@@H](CC....
4 3DY8 - IBM C10 H14 N4 O2 CC(C)CN1c2....
5 3DYN - PCG C10 H12 N5 O7 P c1nc2c(n1[....
6 3DYQ - PCG C10 H12 N5 O7 P c1nc2c(n1[....
7 3JSW ic50 = 66 nM JAR C20 H25 N5 O C[C@@H]1C[....
8 3DYS - IBM C10 H14 N4 O2 CC(C)CN1c2....
9 4E90 ic50 = 8 nM 7RG C20 H25 N7 O2 C[C@@H]1C[....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2HD1 ic50 ~ 500 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
2 4G2J ic50 = 11 nM 0WF C21 H25 N5 O2 C[C@H](C1=....
3 3K3H - BYE C15 H12 Cl F3 N4 O C[C@@H](CC....
4 3DY8 - IBM C10 H14 N4 O2 CC(C)CN1c2....
5 3DYN - PCG C10 H12 N5 O7 P c1nc2c(n1[....
6 3DYQ - PCG C10 H12 N5 O7 P c1nc2c(n1[....
7 3JSW ic50 = 66 nM JAR C20 H25 N5 O C[C@@H]1C[....
8 3DYS - IBM C10 H14 N4 O2 CC(C)CN1c2....
9 4E90 ic50 = 8 nM 7RG C20 H25 N7 O2 C[C@@H]1C[....
50% Homology Family (230)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2CHM ic50 = 5.5 nM 3P4 C23 H29 N6 O3 CCc1c2c([n....
2 3TGG - 0H3 C23 H31 N5 O4 CCCOCCN1c2....
3 3HDZ ic50 = 51 nM PD6 C18 H19 N3 O CCCCN1C=CC....
4 3TGE ic50 = 0.07 nM TGE C24 H32 N6 O4 CCCOCCN1c2....
5 3B2R - VDN C23 H32 N6 O4 S CCCc1nc(c2....
6 2H44 ic50 = 1.7 uM 7CA C27 H32 O10 C[C@H]1[C@....
7 2H42 ic50 = 2.4 nM VIA C22 H30 N6 O4 S CCCc1c2c(n....
8 1T9S - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
9 4MD6 ic50 = 17 nM 24E C22 H15 N O3 S c1ccc2c(c1....
10 1UHO Kd ~ 0.6 nM VDN C23 H32 N6 O4 S CCCc1nc(c2....
11 1UDT Kd ~ 0.5 nM VIA C22 H30 N6 O4 S CCCc1c2c(n....
12 1RKP - IBM C10 H14 N4 O2 CC(C)CN1c2....
13 4IA0 ic50 = 77 nM 5BB C25 H37 Br N4 O4 S CCCCCCCCC1....
14 3SIE ic50 = 13.3 nM 5BO C20 H27 Br N4 O4 S CCCOc1ccc(....
15 3HC8 ic50 = 2.9 nM PD4 C24 H32 N6 O4 CCCOCCN1c2....
16 1XP0 ic50 = 0.001 uM VDN C23 H32 N6 O4 S CCCc1nc(c2....
17 1XOZ ic50 = 0.0012 uM CIA C22 H19 N3 O4 CN1CC(=O)N....
18 6L6E - E6L C23 H26 Cl N7 O3 COc1ccc(cc....
19 4I9Z ic50 = 18.2 nM 5BA C23 H31 Br N4 O3 CCCOc1ccc(....
20 1TBF - VIA C22 H30 N6 O4 S CCCc1c2c(n....
21 4OEX Kd = 0.000000064 M 5EO C20 H28 N4 O4 S CCCOc1ccc(....
22 4G2Y ic50 > 1000 nM NI5 C21 H28 N4 O4 S CCCOc1ccc(....
23 4OEW Kd = 0.000000064 M 5IO C20 H27 I N4 O4 S CCCOc1ccc(....
24 1Y2B ic50 = 82 uM DEE C8 H12 N2 O2 CCOC(=O)c1....
25 6IMD ic50 = 58.5 uM AH9 C12 H15 N O3 COc1cc2c(c....
26 1TBB - ROL C16 H21 N O3 COc1ccc(cc....
27 4W1O - 3GJ C19 H17 Cl2 N3 O4 CCc1cc(on1....
28 5LBO - 6M5 C33 H40 N6 O4 COc1ccc(cc....
29 6IMT ic50 = 0.25 uM AK0 C22 H23 F N2 O3 COc1cc2c(c....
30 6RCW - JX2 C30 H33 N3 O4 COc1ccc(cc....
31 6HWO Ki = 0.00000079 M FFZ C28 H29 N3 O3 CC(C)N1C(=....
32 6IMI ic50 = 26.1 uM AH6 C13 H17 N O3 CCOc1cc2c(....
33 6IMB ic50 = 58.5 uM AH9 C12 H15 N O3 COc1cc2c(c....
34 1ZKN - IBM C10 H14 N4 O2 CC(C)CN1c2....
35 6NJJ - KR7 C21 H15 Cl F3 N O2 c1cc(cc(c1....
36 3SL4 ic50 = 0.027 uM JN4 C21 H21 N3 O4 S C=CNC(=O)N....
37 1XOQ ic50 = 0.68 nM ROF C17 H14 Cl2 F2 N2 O3 c1cc(c(cc1....
38 1Y2E ic50 = 0.16 uM 5DE C14 H17 N3 O2 CCOC(=O)c1....
39 1PTW - AMP C10 H14 N5 O7 P c1nc(c2c(n....
40 6FTW - E6Z C25 H29 N3 O3 COc1ccc(cc....
41 5WQA ic50 = 0.011 uM J20 C36 H26 O5 COc1ccc(cc....
42 1Y2D ic50 = 2 uM 4DE C15 H18 N2 O3 CCOC(=O)c1....
43 6F8W ic50 = 23 uM D0E C22 H29 N3 O4 COc1ccc(cc....
44 6AKR - A0O C15 H16 O3 CC(=CCc1c(....
45 1XON ic50 = 0.021 nM PIL C18 H18 Cl2 N2 O3 COc1ccc(cc....
46 6NJH - KRD C19 H18 Cl N5 O CCc1nc(nc(....
47 1TB7 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
48 6FDC ic50 = 2.3 uM DD5 C22 H29 F2 N3 O4 c1cc(c(cc1....
49 6IND ic50 = 0.24 uM AKO C23 H26 N2 O3 Cc1ccc2c(c....
50 6INK ic50 = 0.27 uM AKU C22 H24 N2 O3 COc1cc2c(c....
51 6IMR ic50 = 4.3 uM AJX C23 H26 N2 O3 COc1cc2c(c....
52 1XOR ic50 = 0.39 uM ZAR C12 H10 F2 N2 O3 COc1cc(ccc....
53 3G4K ic50 = 288 nM ROL C16 H21 N O3 COc1ccc(cc....
54 1Y2C ic50 = 0.27 uM 3DE C14 H17 N2 O2 CCOC(=O)c1....
55 2FM0 ic50 = 0.4 nM M98 C23 H18 F8 N2 O4 S c1cc(c[n+]....
56 6KJZ ic50 = 420 nM MKU C24 H26 O6 CC(=CCc1c2....
57 6F8T ic50 = 7 uM CZT C22 H34 N2 O5 C[C@@H]1CN....
58 1Y2K ic50 = 0.021 uM 7DE C14 H15 N3 O4 CCOC(=O)c1....
59 1XOM ic50 = 0.011 uM CIO C20 H25 N O4 COc1ccc(cc....
60 6KK0 ic50 = 17 nM M36 C31 H36 O8 CC(=CCc1c2....
61 2PW3 - CMP C10 H12 N5 O6 P c1nc(c2c(n....
62 6IM6 ic50 = 20.7 uM AH3 C13 H17 N O3 CCOc1cc2c(....
63 1Q9M ic50 = 0.33 uM ROL C16 H21 N O3 COc1ccc(cc....
64 4WCU ic50 = 3 nM 3KQ C24 H22 Cl2 N2 O5 COc1ccc(c(....
65 6F8U ic50 = 0.8 uM CZQ C21 H28 F2 N2 O5 C[C@@H]1CN....
66 6INM ic50 = 0.51 uM AKU C22 H24 N2 O3 COc1cc2c(c....
67 2FM5 ic50 = 43 nM M99 C23 H18 F8 N2 O4 S c1cc(c[n+]....
68 3G4I - D71 C19 H13 N5 O4 c1cc(cc(c1....
69 6F6U ic50 = 16 uM CV8 C21 H30 N2 O5 C[C@@H]1CN....
70 6F8V ic50 = 16 uM D0B C24 H33 N3 O4 C[C@@H]1CN....
71 6IMO ic50 = 0.65 uM AJL C21 H22 N2 O3 COc1cc2c(c....
72 3G4L ic50 = 5.8 nM ROF C17 H14 Cl2 F2 N2 O3 c1cc(c(cc1....
73 4G2J ic50 = 11 nM 0WF C21 H25 N5 O2 C[C@H](C1=....
74 3K3H - BYE C15 H12 Cl F3 N4 O C[C@@H](CC....
75 3DY8 - IBM C10 H14 N4 O2 CC(C)CN1c2....
76 3DYN - PCG C10 H12 N5 O7 P c1nc2c(n1[....
77 3DYQ - PCG C10 H12 N5 O7 P c1nc2c(n1[....
78 3JSW ic50 = 66 nM JAR C20 H25 N5 O C[C@@H]1C[....
79 3DYS - IBM C10 H14 N4 O2 CC(C)CN1c2....
80 4E90 ic50 = 8 nM 7RG C20 H25 N7 O2 C[C@@H]1C[....
81 5U7K ic50 = 7.1 nM 7Y1 C20 H22 N6 O CCCOc1cncc....
82 6CYD ic50 = 2 nM FKG C16 H15 F3 N4 O2 CC1=Nc2c(c....
83 5TZA ic50 = 0.001 uM 7OG C22 H21 N5 O Cc1cc(n2c(....
84 6C7G ic50 = 18.2 nM EOY C31 H34 Cl N5 O2 Cc1c2nnc(n....
85 5VP0 ic50 = 0.61 nM 9GJ C19 H18 F4 N4 O5 COC[C@H](c....
86 5U00 ic50 = 0.002 uM 7OV C18 H15 F3 I N5 O Cc1cc(n2c(....
87 5U7I ic50 = 66.6 nM 7XS C20 H25 N5 O2 CC(C)Cc1c2....
88 5U7J ic50 = 389.6 nM 7XV C18 H22 N4 O2 CC(C)Cc1nn....
89 5XKM ic50 = 24 nM 87R C18 H17 F3 N4 O2 CC[C@H](c1....
90 6B98 Ki = 22.4 uM D07 C7 H8 Cl N5 CNc1c2cnn(....
91 6B96 Ki = 14.3 nM CZV C15 H11 Cl F3 N5 c1cc(ccc1C....
92 5U7D ic50 = 0.5 nM 19F C27 H32 N4 O4 Cc1c2n(c(n....
93 6ZQZ ic50 = 24 nM QOQ C18 H19 Cl F2 N6 Cc1cc(cc(n....
94 5TZX ic50 = 0.052 uM 7OY C18 H15 Cl F3 N5 O Cc1cc(n2c(....
95 6C7I ic50 = 0.38 nM EP7 C22 H22 Cl N5 O2 Cc1c2nnc(n....
96 6CYB ic50 = 0.96 nM FKV C16 H12 F6 N4 O2 C[C@@H](c1....
97 6B97 Ki = 0.237 uM CZY C15 H13 Cl F3 N5 C[C@H](c1c....
98 5TZZ ic50 = 0.014 uM 7OJ C18 H15 Br F3 N5 O Cc1cc(n2c(....
99 5VP1 ic50 = 0.51 nM 9GA C22 H22 F3 N7 O3 Cc1cn2c(c(....
100 4HTX ic50 = 4.7 nM 19F C27 H32 N4 O4 Cc1c2n(c(n....
101 6EZF - C6Z C11 H8 Cl2 N2 S c1cc(c(cc1....
102 5TZ3 ic50 = 0.14 uM 7OM C22 H22 N6 O Cc1cc(n2c(....
103 5TZH ic50 = 0.679 uM 7OP C18 H16 F3 N5 O Cc1cc(n2c(....
104 6ZND ic50 = 66 nM QMZ C20 H23 N5 O4 COc1cc(cc(....
105 5TZC ic50 = 0.008 uM 7OJ C18 H15 Br F3 N5 O Cc1cc(n2c(....
106 3ITU ic50 = 40 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
107 6C7F ic50 = 0.00000001 M EOS C22 H22 Cl N5 O2 Cc1c2nnc(n....
108 6C7E ic50 = 0.24 nM EOG C18 H14 Cl N5 O Cc1c2nnc(n....
109 6C7J ic50 = 1.32 nM EPV C25 H28 Cl N5 O2 Cc1c2nnc(n....
110 4JIB ic50 = 45 nM 1L6 C23 H28 N6 O2 CCC(C)(C)c....
111 5U7L ic50 = 4.9 nM 7Y4 C24 H30 N8 CCc1ccc(cc....
112 4D09 ic50 = 1.7 nM 788 C24 H19 N5 O Cc1c2nnc(n....
113 6C7D ic50 = 0.17 nM EOJ C27 H26 Cl N5 O Cc1c2nnc(n....
114 5TZW ic50 = 0.987 uM 7P4 C18 H15 F4 N5 O Cc1cc(n2c(....
115 6CYC ic50 = 14 nM FKJ C15 H13 F3 N4 O3 C[C@@H](c1....
116 4D08 ic50 = 10 nM Q2T C24 H28 N6 O2 CCCCOc1cc(....
117 5I2R ic50 = 0.019 uM 67A C20 H13 F3 N4 O2 c1ccc(cc1)....
118 4FCB ic50 = 2.9 nM 0T7 C25 H24 N4 O CCCc1nc(c2....
119 4LM3 Ki = 1200 uM 9ZE C10 H10 O3 CC(=O)c1cc....
120 5C29 Ki = 880 nM 4XY C11 H16 Cl N3 CCCNc1c(c(....
121 4MSC Ki = 1.1 uM 2ZT C19 H14 N2 O c1ccc2c(c1....
122 2OUQ - 5GP C10 H14 N5 O8 P c1nc2c(n1[....
123 4MRW Ki = 500 uM MRW C9 H6 Cl N O c1cc2c(ccn....
124 6MSC ic50 = 21 nM JY7 C17 H14 F N5 O Cc1cnccc1c....
125 5C2E Ki = 2 nM 4Y1 C18 H20 Cl N5 O S Cc1c(nc(nc....
126 4LKQ Ki = 450 uM 1XM C5 H5 N5 S c1c2c([nH]....
127 3LXG ic50 = 7.28 nM Z73 C15 H18 N4 O CCCc1nc(c2....
128 5AXP ic50 = 0.94 nM 4LK C23 H18 F N5 O4 COC1=CN(N=....
129 4ZO5 Ki = 0.15 nM 4Q0 C28 H25 N3 O5 CC(C)Oc1cc....
130 5C1W Ki = 8.7 uM 4XS C8 H8 Cl2 N2 Cc1c(nc(nc....
131 3UI7 Ki = 1 nM C1L C18 H22 N4 O2 Cc1cc(cc2c....
132 2OUY - CMP C10 H12 N5 O6 P c1nc(c2c(n....
133 3SNL ic50 = 0.7 nM 548 C19 H14 Cl F3 N4 Cc1cnccc1c....
134 4LM4 Ki = 910 uM JPZ C8 H6 N2 O c1ccc2c(c1....
135 2OUN - AMP C10 H14 N5 O7 P c1nc(c2c(n....
136 6MSA ic50 = 5 nM JY4 C12 H12 N4 O2 Cc1c2c3cc(....
137 5EDI ic50 = 0.3 nM 5M9 C17 H22 Cl N7 Cc1cc(c(n2....
138 2OUR - CMP C10 H12 N5 O6 P c1nc(c2c(n....
139 2Y0J ic50 = 12 nM AXC C18 H14 N6 S Cc1nc2c3cc....
140 4FCD ic50 = 0.28 nM 0T6 C18 H15 Cl N4 O2 Cc1c2nnc3c....
141 5B4L ic50 = 0.76 nM 6DW C28 H27 N7 O2 c1ccc(cc1)....
142 5C2H Ki = 0.0082 nM 4XU C23 H24 Cl N5 O S Cc1c(nc(nc....
143 4YS7 ic50 = 0.001 uM 4GK C20 H19 N7 Cc1cnc(c2n....
144 5EDH - 5MF C17 H24 N8 CCc1cnc(n2....
145 4PHW ic50 = 0.1 nM 2W1 C24 H21 N3 O3 c1ccc2c(c1....
146 4BBX ic50 = 60 nM LKF C18 H24 N6 O2 Cc1c(n2ccn....
147 5DH5 Ki = 0.23 nM 5AY C20 H21 N7 O Cn1cc(cn1)....
148 4P1R ic50 = 4.1 nM 2KR C19 H17 N5 O Cc1ccc(nc1....
149 6KDX ic50 = 294 nM D6X C18 H18 N6 Cc1cc(n2c(....
150 4LLP Ki = 16 uM 4ZE C7 H9 N O Cc1cc(ccc1....
151 5UWF ic50 = 0.059 uM 8Q7 C22 H19 F2 N5 O3 S COc1ccc(cc....
152 4MSH Ki = 210 uM 2D0 C7 H5 Cl N2 S c1cc2c(c(c....
153 5AXQ ic50 = 0.08 nM 4LP C28 H26 F N5 O3 CC1(c2c(cc....
154 4LM2 Ki = 940 uM 8ZE C9 H10 O3 c1cc2c(cc1....
155 4YQH ic50 = 0.009 uM 4F7 C19 H16 N4 c1ccc(cc1)....
156 5C2A Ki = 4.8 nM 4Y2 C14 H17 Cl N4 S Cc1c(nc(nc....
157 4DDL ic50 = 4.9 nM 0JQ C24 H30 N4 O3 Cc1cc(cnc1....
158 4P0N ic50 = 3.4 nM 1IR C18 H17 N5 O S COc1nc2ccc....
159 5EDG - 5MG C20 H12 Cl F3 N4 O2 c1ccc(cc1)....
160 6K9U - D4L C25 H29 N7 O Cc1ccc2c(c....
161 4LLX Ki = 1300 uM 5ZE C6 H9 N3 Cc1cc(nc(n....
162 5C28 Ki = 2.2 uM 4XV C8 H10 Cl N3 Cc1c(nc(nc....
163 2OUU - 35G C10 H12 N5 O7 P c1nc2c(n1[....
164 4MVH ic50 = 4.5 nM 2F5 C22 H19 N5 O3 c1ccc2c(c1....
165 4HEU ic50 = 0.097 nM 15J C24 H25 N5 O2 c1ccc2c(c1....
166 4LLJ Ki = 380 uM 1XN C8 H9 N3 c1ccc2c(c1....
167 3SNI ic50 = 11 nM 546 C18 H17 N5 O Cc1ccncc1c....
168 4HF4 ic50 = 2.4 nM 15H C24 H25 N5 O2 S C[C@@H](C1....
169 3SN7 ic50 = 0.7 nM 540 C19 H17 F N4 O Cc1cnccc1c....
170 4AEL ic50 = 12 nM 4HN C23 H17 N3 O2 CCOc1ccccc....
171 4LLK Ki = 990 uM MEW C9 H8 N2 O CC1=Nc2ccc....
172 4MSA Ki = 500 uM 2ZM C7 H5 N3 O2 c1cc2c(cc1....
173 4MS0 Ki = 410 uM 2ZX C4 H5 Cl N4 c1c(nc(nc1....
174 4LM0 Ki = 560 uM 5NI C7 H5 N3 O2 c1cc2c(cc1....
175 4DFF Ki = 35 nM 0JP C16 H15 N3 O2 S COc1cc2c(c....
176 3WI2 ic50 = 92 nM P98 C26 H23 N3 O CC(C)c1nc2....
177 4MRZ Ki = 300 uM 2ZV C6 H7 N3 O2 Cc1ccnc(c1....
178 4LM1 Ki = 590 uM 7ZE C9 H6 N2 O2 c1cc2c(ccc....
179 5DH4 Ki = 58 nM 5AV C12 H12 Cl N5 S Cc1c(sc(n1....
180 5XUJ - 8G6 C13 H10 Cl N3 Cc1cc2nccc....
181 3UUO Ki = 11 nM 0CV C17 H21 N5 O Cc1cc(cc2c....
182 4MSN Ki = 94 uM 2ZQ C9 H6 N2 O2 c1cc2cccnc....
183 4XY2 ic50 = 8 nM 490 C25 H23 N5 O2 Cn1cc(c(n1....
184 5LAQ Ki = 0.63 nM 6M5 C33 H40 N6 O4 COc1ccc(cc....
185 3SHZ ic50 = 35.9 nM 5CO C20 H27 Cl N4 O4 S CCCOc1ccc(....
186 4G2W ic50 = 1.6 nM NI0 C22 H32 N4 O4 S CCCOc1ccc(....
187 3QI4 ic50 = 117.2 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
188 4QGE Ki = 0.5 nM 35O C20 H24 N6 O3 C[C@H](C(=....
189 3QI3 - PDB C15 H12 Cl F3 N4 O C[C@H](CC1....
190 4Y86 ic50 = 58 nM 49E C18 H20 Cl N5 O CC(c1ccc(c....
191 3ECN ic50 = 698 uM IBM C10 H14 N4 O2 CC(C)CN1c2....
192 3HQW ic50 = 35 nM PF4 C21 H18 N2 O2 S COc1ccc(cc....
193 3QPO ic50 = 247 nM PFR C27 H28 N4 O2 COc1cc2c(c....
194 2OVV Ki = 12 nM PFH C24 H23 N3 O3 COc1cc2c(c....
195 3HR1 ic50 = 0.37 nM PF9 C25 H20 N4 O Cn1cc(c(n1....
196 3QPN ic50 = 17 nM PFK C20 H17 N3 O2 COc1cc2cnc....
197 3HQZ ic50 = 0.42 nM PF8 C24 H18 N4 O c1ccc2c(c1....
198 2O8H Ki = 25 nM 227 C24 H29 N5 O4 S CN1CCN(CC1....
199 3HQY ic50 = 11.5 nM PF6 C25 H20 N4 O c1ccc2c(c1....
200 2OVY Ki = 4 nM PFJ C22 H21 N5 O3 COc1cc2c(c....
201 3QPP ic50 = 12 nM PFW C31 H30 N4 O2 COc1cc2c(c....
202 2QYK ic50 = 3.3 uM NPV C21 H13 N3 O4 c1cc(cc(c1....
203 3GWT ic50 = 7.94 pM 066 C27 H26 N4 O5 S Cc1cc(cc2c....
204 3WD9 ic50 = 8.3 nM QPC C24 H27 N5 O2 CC(C)(C)CN....
205 4KP6 ic50 = 0.87 nM 1S1 C12 H17 N9 CCC(CC)(C#....
206 4NW7 ic50 = 237 nM 2O5 C20 H17 Cl N4 O2 c1cc(cc(c1....
207 3FRG ic50 = 3.98 nM SK4 C18 H17 N3 O4 S COc1cccc(c....
208 1RO9 - 8BR C10 H13 Br N5 O7 P c1nc(c2c(n....
209 1XOT ic50 = 3.8 uM VDN C23 H32 N6 O4 S CCCc1nc(c2....
210 1XLX ic50 = 0.025 uM CIO C20 H25 N O4 COc1ccc(cc....
211 3O57 ic50 = 79.4 pM ZG2 C29 H34 N6 O3 CCn1c2c(cn....
212 3HMV - HBT C17 H17 N3 O4 S C[C@H]1CCc....
213 3O56 ic50 = 794 pM ZG1 C21 H27 N7 O3 CCn1c2c(cn....
214 1XLZ ic50 = 0.96 uM FIL C15 H20 N2 O4 C/C(=NOC(=....
215 1XN0 ic50 = 0.57 uM ROL C16 H21 N O3 COc1ccc(cc....
216 1TB5 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
217 3D3P ic50 = 3.1 nM 20A C21 H25 N5 O2 CCn1c2c(cn....
218 3W5E ic50 = 11 nM NVW C25 H28 N4 O3 S CC(C)(C)NC....
219 4MYQ ic50 = 32 nM 19T C19 H18 Cl N3 O2 S CCc1c(nc(n....
220 2QYL ic50 = 0.65 uM NPV C21 H13 N3 O4 c1cc(cc(c1....
221 1XOS ic50 = 20 uM VIA C22 H30 N6 O4 S CCCc1c2c(n....
222 1XM6 ic50 = 0.42 uM 5RM C14 H19 N O4 CCCOc1cc(c....
223 1RO6 Ki ~ 375 nM ROL C16 H21 N O3 COc1ccc(cc....
224 1Y2H ic50 = 0.056 uM 6DE C14 H15 Cl N2 O2 CCOC(=O)c1....
225 1ROR - AMP C10 H14 N5 O7 P c1nc(c2c(n....
226 5UOY ic50 = 0.027 uM 8HM C24 H27 N5 O3 S COc1ccc(cc....
227 5W6E ic50 = 9.1 nM 0NY C17 H21 N5 O2 Cc1cc([nH]....
228 5B25 Ki = 0.058 nM 4QJ C29 H26 F N7 O CN1C(=O)c2....
229 5UP0 ic50 = 0.46 uM 8HP C18 H15 Cl N4 O S c1cc(ccc1C....
230 3G4G ic50 = 19 nM D71 C19 H13 N5 O4 c1cc(cc(c1....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: IBM; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IBM 1 1
Ligand no: 2; Ligand: PCG; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 PCG 1 1
2 C2E 1 0.986111
3 35G 1 1
4 1YD 0.806818 0.986111
5 4BW 0.806818 0.986111
6 5GP 5GP 0.743902 0.945205
7 4UR 0.731959 0.986111
8 KT2 0.669903 0.986111
9 6SW 0.627907 0.957747
10 1YC 0.616162 0.958333
11 6J7 0.58427 0.946667
12 CMP 0.534091 0.888889
13 2BA 0.534091 0.902778
14 GMP 0.53012 0.84
15 1SY 0.495575 0.986111
16 SGP 0.483871 0.835443
17 6SZ 0.483871 0.902778
18 3GP 0.478261 0.932432
19 1OR 0.474747 0.729412
20 G 0.468085 0.945946
21 5GP 0.468085 0.945946
22 7CH 0.467391 0.875
23 6SX 0.462366 0.847222
24 6JR 0.457944 0.930556
25 G2R 0.457143 0.897436
26 GPX 0.451923 0.906667
27 GP3 0.44898 0.934211
28 2GP 0.446809 0.92
29 GP2 0.444444 0.897436
30 GDP 0.444444 0.933333
31 GNH 0.44 0.921053
32 KB7 0.44 0.790123
33 P2G 0.4375 0.893333
34 G2P 0.436893 0.897436
35 GMV 0.431373 0.909091
36 GTP 0.431373 0.933333
37 ALF 5GP 0.431373 0.851852
38 GDP BEF 0.427184 0.896104
39 G1R 0.427184 0.921053
40 GCP 0.427184 0.909091
41 GTP MG 0.423077 0.92
42 G3D 0.423077 0.945946
43 GNP 0.423077 0.909091
44 9GM 0.423077 0.909091
45 GSP 0.423077 0.886076
46 GDP AF3 0.420561 0.851852
47 G4P 0.415094 0.945946
48 GAV 0.415094 0.897436
49 P1G 0.414141 0.881579
50 KBD 0.412844 0.8125
51 Y9Z 0.410714 0.843373
52 GDP ALF 0.407407 0.851852
53 N6R 0.40708 0.818182
54 N6S 0.40708 0.818182
55 G3A 0.403509 0.934211
56 YGP 0.401786 0.8875
57 GPG 0.4 0.922078
58 0O2 0.4 0.945946
59 G5P 0.4 0.934211
Similar Ligands (3D)
Ligand no: 1; Ligand: IBM; Similar ligands found: 618
No: Ligand Similarity coefficient
1 5OF 0.9522
2 FXH 0.9472
3 T6Z 0.9465
4 NTZ 0.9456
5 57O 0.9438
6 4KL 0.9356
7 QMS 0.9345
8 S3B 0.9344
9 JR2 0.9342
10 NLA 0.9342
11 MVL 0.9318
12 5WU 0.9312
13 PVK 0.9304
14 OUB 0.9304
15 NBG 0.9304
16 PVQ 0.9299
17 F5C 0.9295
18 9GP 0.9272
19 M3Q 0.9264
20 8XQ 0.9263
21 CPW 0.9260
22 DNC 0.9260
23 GIM 0.9255
24 AIN 0.9253
25 CGW 0.9249
26 KED 0.9248
27 F95 0.9243
28 HTP 0.9240
29 KGK 0.9230
30 L7T 0.9228
31 LIP 0.9228
32 GT0 0.9223
33 AEZ 0.9219
34 PFB 0.9218
35 LZ2 0.9215
36 M3S 0.9210
37 226 0.9208
38 5NS 0.9204
39 QM1 0.9203
40 I4D 0.9201
41 8GK 0.9180
42 790 0.9177
43 9KH 0.9172
44 6DP 0.9169
45 S7B 0.9162
46 LI6 0.9154
47 3N4 0.9153
48 XFE 0.9152
49 5WY 0.9152
50 FLV 0.9147
51 W8G 0.9147
52 CR1 0.9144
53 9KT 0.9142
54 YO5 0.9141
55 7B3 0.9141
56 ZZ8 0.9141
57 HNQ 0.9138
58 3Y7 0.9137
59 BA5 0.9128
60 TTY 0.9123
61 12B 0.9116
62 9FQ 0.9108
63 K3Q 0.9108
64 5NE 0.9106
65 EYA 0.9105
66 2ZQ 0.9104
67 BK9 0.9102
68 DPZ 0.9097
69 X8D 0.9095
70 ONZ 0.9093
71 MIG 0.9090
72 DNA 0.9089
73 4AN 0.9087
74 ARP 0.9083
75 537 0.9078
76 7ZE 0.9077
77 64E 0.9077
78 C9E 0.9077
79 OA3 0.9071
80 EYM 0.9071
81 GOX 0.9069
82 CG8 0.9067
83 GTV 0.9067
84 UQ1 0.9066
85 CKU 0.9066
86 KYA 0.9065
87 8WZ 0.9064
88 L21 0.9063
89 E7R 0.9059
90 6VD 0.9059
91 209 0.9059
92 NCV 0.9057
93 6HP 0.9057
94 NBV 0.9056
95 YKG 0.9053
96 64C 0.9052
97 UFO 0.9051
98 HPT 0.9050
99 I59 0.9048
100 G1P 0.9048
101 KLK 0.9048
102 SRO 0.9045
103 MT8 0.9045
104 2K8 0.9043
105 28S 0.9040
106 NAG 0.9040
107 HHT 0.9036
108 64F 0.9036
109 JXZ 0.9035
110 B56 0.9035
111 MAG 0.9035
112 NPA 0.9032
113 4ME 0.9032
114 KJ5 0.9030
115 6BL 0.9030
116 ALN 0.9030
117 P9T 0.9030
118 K2P 0.9029
119 7WR 0.9028
120 TNF 0.9025
121 CBF 0.9025
122 680 0.9024
123 H33 0.9023
124 MHK 0.9022
125 KFH 0.9021
126 ZVO 0.9020
127 AC2 0.9020
128 TNL 0.9018
129 GRX 0.9017
130 06B 0.9017
131 G6P 0.9014
132 CIP 0.9009
133 7FF 0.9007
134 GDL 0.9007
135 5WX 0.9005
136 SYR 0.9005
137 2CZ 0.9003
138 3RI 0.9003
139 BGC 0.9002
140 APS 0.9001
141 IAC 0.9000
142 LDR 0.9000
143 3GQ 0.9000
144 BDP 0.8998
145 3MG 0.8996
146 EVA 0.8996
147 GP1 0.8995
148 NDG 0.8995
149 E1K 0.8994
150 96R 0.8994
151 7I2 0.8991
152 QPR 0.8991
153 CCV 0.8989
154 PYQ 0.8988
155 IBC 0.8985
156 15L 0.8984
157 GLC 0.8984
158 7SX 0.8984
159 MXX 0.8983
160 IPD 0.8983
161 8S0 0.8980
162 GCB 0.8979
163 PRZ 0.8978
164 JKZ 0.8978
165 9AP 0.8976
166 9UG 0.8975
167 H5B 0.8974
168 L8J 0.8974
169 GTZ 0.8973
170 JYT 0.8973
171 7ZC 0.8972
172 B60 0.8970
173 18N 0.8970
174 8VE 0.8968
175 F34 0.8968
176 GCU 0.8966
177 512 0.8965
178 3GC 0.8965
179 TQU 0.8960
180 5V7 0.8959
181 FA6 0.8953
182 GOG 0.8951
183 FBG 0.8951
184 M0Q 0.8950
185 JXW 0.8950
186 JV4 0.8949
187 O2A 0.8947
188 NID 0.8947
189 LGC 0.8947
190 28N 0.8946
191 GFP 0.8946
192 61M 0.8945
193 RH1 0.8944
194 A1Y 0.8943
195 APZ 0.8942
196 G3F 0.8941
197 KIB 0.8940
198 MQB 0.8940
199 IPT 0.8939
200 PXL 0.8938
201 CFF 0.8938
202 7CT 0.8935
203 TSR 0.8935
204 2KA 0.8934
205 49N 0.8932
206 60Q 0.8931
207 67Y 0.8930
208 SR4 0.8929
209 MYI 0.8929
210 BY5 0.8929
211 H7Y 0.8927
212 3C1 0.8927
213 KIF 0.8926
214 I6G 0.8925
215 TIY 0.8924
216 UQ 0.8922
217 BNT 0.8922
218 8HC 0.8921
219 YSO 0.8920
220 H05 0.8920
221 3B4 0.8919
222 M4B 0.8917
223 GAL 0.8917
224 VK3 0.8917
225 2SX 0.8917
226 XM5 0.8916
227 KBG 0.8915
228 LOG 0.8914
229 2JK 0.8913
230 GCS 0.8913
231 SHG 0.8913
232 67X 0.8911
233 NDM 0.8911
234 VYM 0.8911
235 JXK 0.8911
236 LTM 0.8909
237 15A 0.8909
238 UAN 0.8908
239 96U 0.8906
240 RXA 0.8906
241 ALR 0.8905
242 M0W 0.8903
243 1X8 0.8901
244 EOL 0.8898
245 HQD 0.8895
246 30G 0.8894
247 TRF 0.8892
248 XJE 0.8892
249 GC2 0.8888
250 K68 0.8888
251 MAQ 0.8885
252 GO0 0.8883
253 THA 0.8882
254 772 0.8882
255 PEY 0.8881
256 FSU 0.8880
257 X04 0.8879
258 NQH 0.8879
259 CKA 0.8878
260 M02 0.8878
261 SYA 0.8877
262 C2Y 0.8877
263 5PX 0.8876
264 O2Y 0.8876
265 XQK 0.8875
266 EXL 0.8875
267 4XV 0.8875
268 EJZ 0.8874
269 8MO 0.8874
270 GSY 0.8870
271 NQ 0.8869
272 61O 0.8869
273 3C2 0.8868
274 TEP 0.8867
275 GPM 0.8866
276 BB4 0.8866
277 7VS 0.8866
278 3Z8 0.8865
279 774 0.8864
280 PH2 0.8861
281 JUG 0.8859
282 3J8 0.8858
283 HJB 0.8858
284 SNG 0.8856
285 9F8 0.8855
286 0FK 0.8855
287 AP4 0.8855
288 54X 0.8854
289 G1O 0.8853
290 0N7 0.8851
291 ZYR 0.8851
292 EY7 0.8851
293 JUO 0.8850
294 NVU 0.8849
295 582 0.8849
296 MBG 0.8848
297 7M6 0.8847
298 MT5 0.8846
299 2LY 0.8845
300 GL1 0.8840
301 PLP 0.8839
302 DBJ 0.8838
303 2J9 0.8838
304 NGO 0.8838
305 DK1 0.8838
306 AA 0.8838
307 UXH 0.8838
308 HLZ 0.8837
309 GV9 0.8837
310 2D3 0.8833
311 H6B 0.8832
312 9PY 0.8831
313 HHR 0.8831
314 4XS 0.8830
315 JYK 0.8830
316 AM1 0.8829
317 4MX 0.8829
318 UEG 0.8826
319 4MU 0.8826
320 5RO 0.8826
321 GYP 0.8826
322 D07 0.8826
323 11G 0.8826
324 AZ9 0.8822
325 JTH 0.8820
326 2KU 0.8820
327 2MN 0.8818
328 4B0 0.8816
329 VC2 0.8816
330 44V 0.8812
331 F6P 0.8812
332 GI3 0.8811
333 6J9 0.8810
334 ST1 0.8805
335 IOS 0.8803
336 ANF 0.8803
337 PRF 0.8803
338 PE0 0.8802
339 TSS 0.8800
340 S3C 0.8800
341 TWB 0.8798
342 M5N 0.8798
343 2FQ 0.8797
344 QZ8 0.8796
345 FDR 0.8795
346 6ME 0.8795
347 M1H 0.8793
348 N8Y 0.8793
349 MQG 0.8792
350 F12 0.8791
351 091 0.8791
352 GLS 0.8787
353 ZON 0.8787
354 AO6 0.8786
355 C2U 0.8785
356 2LB 0.8784
357 1X7 0.8783
358 AQO 0.8781
359 JP2 0.8779
360 GLG 0.8779
361 Q6T 0.8777
362 HLD 0.8776
363 PXP 0.8775
364 B62 0.8775
365 NGT 0.8774
366 JAK 0.8773
367 KFN 0.8773
368 FDB 0.8773
369 CLZ 0.8771
370 BG6 0.8771
371 1QP 0.8769
372 505 0.8769
373 GDE 0.8769
374 2L3 0.8768
375 9BF 0.8768
376 PHH 0.8767
377 INE 0.8767
378 S0G 0.8766
379 MEW 0.8766
380 BM3 0.8763
381 AZ8 0.8763
382 4XY 0.8762
383 BRV 0.8762
384 LP8 0.8761
385 XHP 0.8761
386 M5K 0.8761
387 FOT 0.8761
388 MOK 0.8760
389 FWB 0.8759
390 GL4 0.8759
391 42C 0.8758
392 MM2 0.8757
393 SBK 0.8757
394 0LH 0.8757
395 2CL 0.8756
396 NTM 0.8756
397 25O 0.8755
398 3IT 0.8755
399 4HC 0.8755
400 5JT 0.8755
401 F52 0.8755
402 ZZZ 0.8755
403 JY2 0.8754
404 JYW 0.8752
405 LZB 0.8751
406 MIF 0.8750
407 68A 0.8749
408 DNF 0.8748
409 TWO 0.8747
410 TRP 0.8747
411 5VJ 0.8745
412 AKH 0.8745
413 8W9 0.8745
414 JXN 0.8745
415 Z5P 0.8744
416 44W 0.8743
417 JF2 0.8742
418 B57 0.8740
419 AJ2 0.8740
420 1FF 0.8740
421 KG1 0.8740
422 AY4 0.8739
423 GI1 0.8739
424 EMZ 0.8735
425 2F8 0.8733
426 DBQ 0.8732
427 OMD 0.8731
428 2EC 0.8731
429 HHS 0.8729
430 VXX 0.8729
431 1SS 0.8729
432 KJY 0.8728
433 37T 0.8728
434 JF1 0.8726
435 QX4 0.8726
436 VNL 0.8726
437 RVE 0.8724
438 HJP 0.8721
439 L1Q 0.8721
440 BPU 0.8721
441 IJZ 0.8721
442 OSB 0.8720
443 TVP 0.8720
444 GHM 0.8720
445 I3C 0.8720
446 92P 0.8718
447 Q5M 0.8717
448 HBO 0.8717
449 NGA 0.8717
450 KTW 0.8716
451 ASE 0.8714
452 MNS 0.8712
453 AKD 0.8711
454 LT8 0.8711
455 K32 0.8711
456 MMA 0.8710
457 KIA 0.8708
458 DQU 0.8708
459 HWH 0.8707
460 P84 0.8704
461 9UL 0.8702
462 QQQ 0.8702
463 5RN 0.8701
464 49O 0.8699
465 CTE 0.8698
466 6XI 0.8696
467 ZYV 0.8696
468 MAN 0.8695
469 R6T 0.8694
470 IBF 0.8692
471 HKD 0.8692
472 F69 0.8691
473 1HN 0.8690
474 1U7 0.8686
475 FA3 0.8683
476 BMA 0.8683
477 PX7 0.8683
478 EXR 0.8683
479 9LI 0.8683
480 7NI 0.8682
481 HA7 0.8680
482 CLU 0.8679
483 PQ0 0.8679
484 7ME 0.8679
485 DTE 0.8679
486 948 0.8678
487 V55 0.8678
488 4RU 0.8677
489 0P6 0.8676
490 E35 0.8675
491 GNV 0.8674
492 BNX 0.8672
493 7VJ 0.8671
494 JU2 0.8669
495 4TU 0.8669
496 4OG 0.8665
497 1U6 0.8665
498 GTL 0.8664
499 PXM 0.8664
500 PMP 0.8661
501 AMG 0.8661
502 TOF 0.8660
503 XH2 0.8660
504 FUJ 0.8658
505 B4O 0.8657
506 RB2 0.8657
507 M6P 0.8657
508 LSA 0.8657
509 465 0.8655
510 BZM 0.8655
511 MO8 0.8655
512 MUR 0.8654
513 IOP 0.8652
514 ZME 0.8650
515 DIU 0.8650
516 MM1 0.8649
517 15N 0.8648
518 GTR 0.8645
519 CMU 0.8642
520 DTR 0.8642
521 SG2 0.8640
522 NPL 0.8640
523 NIP 0.8639
524 3C4 0.8639
525 DQA 0.8639
526 M1P 0.8638
527 878 0.8638
528 2H5 0.8638
529 0F9 0.8636
530 BPS 0.8636
531 DHK 0.8636
532 S0I 0.8636
533 EGR 0.8635
534 M1E 0.8635
535 8DA 0.8635
536 CSN 0.8635
537 7MX 0.8634
538 149 0.8633
539 8WT 0.8632
540 V1T 0.8632
541 DEE 0.8632
542 KDO 0.8632
543 QNA 0.8630
544 S8A 0.8629
545 OTD 0.8628
546 22L 0.8626
547 2AN 0.8625
548 SBI 0.8624
549 M2K 0.8622
550 A0O 0.8621
551 DQN 0.8619
552 78P 0.8619
553 B52 0.8617
554 P0P 0.8616
555 MNP 0.8616
556 ML1 0.8614
557 K37 0.8611
558 MXD 0.8610
559 LAO 0.8610
560 S3P 0.8608
561 GIV 0.8606
562 9MG 0.8606
563 ONR 0.8605
564 KP6 0.8605
565 G12 0.8603
566 KDM 0.8601
567 GLA 0.8599
568 2FG 0.8598
569 HA5 0.8597
570 FUZ 0.8596
571 4NO 0.8595
572 89J 0.8595
573 K17 0.8590
574 TBS 0.8590
575 55D 0.8588
576 FE DB1 0.8587
577 UFV 0.8584
578 QSH 0.8583
579 Q7A 0.8577
580 A2G 0.8575
581 KP2 0.8574
582 N7I 0.8570
583 39A 0.8570
584 4WF 0.8570
585 8NX 0.8569
586 CKX 0.8567
587 GNJ 0.8566
588 SXS 0.8562
589 PQZ 0.8562
590 PYU 0.8561
591 1Z8 0.8560
592 YIO 0.8560
593 GCV 0.8555
594 K25 0.8554
595 9X5 0.8553
596 SFU 0.8552
597 HMD 0.8551
598 JAA 0.8549
599 MM5 0.8548
600 DY5 0.8547
601 ALL 0.8546
602 M4E 0.8546
603 F1A 0.8545
604 1GN 0.8545
605 3LJ 0.8544
606 23J 0.8540
607 RPQ 0.8537
608 692 0.8536
609 0W8 0.8536
610 HZQ 0.8530
611 Q77 0.8523
612 ADA 0.8523
613 ZB1 0.8521
614 39U 0.8520
615 MCO 0.8517
616 6R8 0.8517
617 DHY 0.8512
618 HBI 0.8511
Ligand no: 2; Ligand: PCG; Similar ligands found: 87
No: Ligand Similarity coefficient
1 75G 0.9865
2 SP1 0.9780
3 RP1 0.9758
4 6SY 0.9252
5 AMP 0.9201
6 DGP 0.9192
7 DG 0.9192
8 0NH 0.9188
9 CC7 0.9146
10 94M 0.9091
11 TMP 0.9018
12 NYM 0.9012
13 8OG 0.9006
14 UFP 0.9000
15 8MF 0.8998
16 71V 0.8945
17 ADN 0.8933
18 5F7 0.8915
19 5HM 0.8885
20 2DT 0.8880
21 D5M 0.8871
22 4UO 0.8870
23 5HU 0.8863
24 ZT2 0.8837
25 MG7 0.8829
26 9PP 0.8827
27 ACJ 0.8818
28 IXG 0.8818
29 NOJ BGC 0.8810
30 CHJ 0.8806
31 TOP 0.8786
32 HFS 0.8785
33 INI 0.8778
34 LU2 0.8776
35 0QX 0.8769
36 MTA 0.8760
37 8HG 0.8759
38 IMP 0.8751
39 6OG 0.8748
40 QTJ 0.8740
41 LRT 0.8739
42 9RK 0.8736
43 KMP 0.8733
44 D59 0.8732
45 AGI 0.8728
46 TYP 0.8726
47 2H4 0.8722
48 M77 0.8717
49 TCW 0.8714
50 147 0.8713
51 C4F 0.8712
52 UMP 0.8712
53 FDM 0.8702
54 CDY 0.8701
55 AX6 0.8699
56 3AM 0.8690
57 AJ8 0.8679
58 XYP XYP 0.8673
59 IXE 0.8663
60 AJ6 0.8661
61 XYP XYS 0.8659
62 5AD 0.8657
63 XYS XYS 0.8657
64 NXB 0.8655
65 3AD 0.8648
66 U5P 0.8636
67 KTM 0.8627
68 LOX XYP 0.8620
69 W72 0.8614
70 3WJ 0.8612
71 3WK 0.8610
72 8CS 0.8608
73 C5Q 0.8607
74 4L2 0.8607
75 9W8 0.8603
76 7FZ 0.8601
77 41L 0.8596
78 JA3 0.8593
79 E2N 0.8588
80 BGC BGC 0.8578
81 C 0.8573
82 69K 0.8568
83 MQ1 0.8564
84 H52 0.8558
85 FY8 0.8535
86 5YA 0.8534
87 PV0 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4E90; Ligand: 7RG; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4e90.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4E90; Ligand: 7RG; 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: 4e90.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
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