Receptor
PDB id Resolution Class Description Source Keywords
4AHR 1.9 Å EC: 2.7.7.7 PARALLEL SCREENING OF A LOW MOLECULAR WEIGHT COMPOUND LIBRAR DIFFERENCES IN METHODOLOGY AFFECT HIT IDENTIFICATION HUMAN IMMUNODEFICIENCY VIRUS TRANSFERASE FRAGMENT SCREENING
Ref.: PARALLEL SCREENING OF LOW MOLECULAR WEIGHT FRAGMENT LIBRARIES: DO DIFFERENCES IN METHODOLOGY AFFECT HIT IDENTIFICATION? J.BIOMOL.SCREEN V. 18 147 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY A:1215;
A:1216;
B:1215;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
60.052 C2 H4 O2 CC(=O...
GOL A:1217;
B:1216;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
I2E A:1218;
B:1217;
Valid;
Valid;
none;
none;
submit data
194.184 C10 H10 O4 c1cc2...
SO4 A:1211;
A:1212;
A:1213;
A:1214;
B:1211;
B:1212;
B:1213;
B:1214;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4E1N 2 Å EC: 2.7.7.7 CRYSTAL STRUCTURE OF HIV-1 INTEGRASE WITH A NON-CATAYLTIC SI INHIBITOR HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 HIV-1 INTEGRASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: NEW CLASS OF HIV-1 INTEGRASE (IN) INHIBITORS WITH A MODE OF ACTION. J.BIOL.CHEM. V. 287 21189 2012
Members (146)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 4CJU - JNS C16 H12 O4 c1ccc(cc1)....
2 6VLM ic50 = 10 uM R2D C17 H11 Cl N2 O2 S c1ccc2c(c1....
3 4CEB Kd = 1080 uM ZSV C32 H35 N2 O8 COc1ccc(cc....
4 3AVG - ALA ASP LYS ILE ASP ASN LEU ASP n/a n/a
5 4CIE - Y7N C24 H26 N2 O5 c1ccc2c(c1....
6 4LH5 ic50 = 0.23 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
7 5OI8 ic50 = 0.21 uM 9VN C24 H31 N O3 S Cc1c(c(c(s....
8 3NFA - CBJ C18 H12 Br N O6 c1cc2c(cc1....
9 3ZSZ - OM2 C22 H27 N2 O5 CC[C@H](C)....
10 4DMN ic50 = 2.3 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
11 3L3V - GLC FRU n/a n/a
12 4CJL - 9PA C20 H30 N2 O5 CC(C)C[C@@....
13 3AVA ic50 = 39.7 uM ALA LEU LYS ILE ASP ASN LEU ASP n/a n/a
14 4CF0 - O5U C28 H34 N2 O7 c1ccc2c(c1....
15 4AHT - Q6T C8 H6 O4 c1cc(c2c(c....
16 4O5B - LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
17 4CER - VL4 C27 H32 N2 O7 CN(Cc1cccc....
18 4CFA - WOP C26 H25 N3 O6 CN(Cc1ccc2....
19 4CJT - HLR C7 H6 N2 O c1ccc2c(c1....
20 4CJ3 - E4F C23 H26 N2 O5 c1ccc2c(c1....
21 4CGF - UJ6 C17 H13 N O5 c1ccc2c(c1....
22 4CJF - RVN C17 H11 N O5 c1ccc2c(c1....
23 5KGW - 7SK C24 H27 N O4 CC(C)(C)O[....
24 3ZSW - ZSW C28 H35 N2 O7 CC[C@@H](C....
25 4O55 ic50 = 5.03 uM LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
26 4E1N ic50 = 19 nM TQX C26 H28 F N O4 Cc1c(cc(c2....
27 4CEO - G0T C30 H32 N2 O8 CN(Cc1cccc....
28 3NF7 ic50 = 340 uM CIW C17 H12 Cl N O5 c1cc2c(cc1....
29 3AO2 Kd = 0.17 mM AVX C11 H10 Br N3 O2 Cn1c(cc(n1....
30 3ZT4 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
31 4OVL - 1TD C16 H11 N O3 c1ccc2c(c1....
32 5KRS - 6XI C9 H7 N O2 S c1ccn(c1)c....
33 3AVN - SER HIS LYS ILE ASP ASN LEU ASP n/a n/a
34 4CHY - C5Q C17 H13 N O4 c1ccc2c(c1....
35 3ZSR - O3N C31 H38 N2 O7 C=CCN(Cc1c....
36 4CGI Kd = 752 uM NZL C24 H28 N2 O5 c1ccc2c(c1....
37 3VQE - FMQ C11 H11 F N2 O Cc1c(cnn1c....
38 3AVI - SER LEU LYS ILE ASP ASN MET ASP n/a n/a
39 3VQP - DBJ C9 H10 O3 c1cc(c2c(c....
40 4CK2 - NVU C9 H7 N O3 c1ccc2c(c1....
41 4CJW - CBJ C18 H12 Br N O6 c1cc2c(cc1....
42 3VQ7 - GLC FRU n/a n/a
43 6NCJ ic50 = 0.024 uM KJJ C35 H41 F N2 O4 Cc1c(cc(c2....
44 4CES - NFW C27 H28 N2 O8 CN(Cc1cccc....
45 4CF2 - 3GM C26 H30 N2 O7 c1ccc2c(c1....
46 3AVH - ALA ARG LYS ILE ASP ASN LEU ASP n/a n/a
47 3ZSX - N44 C27 H25 N2 O5 C=CCN(Cc1c....
48 3AVC - SER ASP LYS ILE ASP ASN LEU ASP n/a n/a
49 4O0J ic50 = 13 uM LF8 C27 H30 Cl N O3 Cc1ccc(cc1....
50 3AVM - SER ARG LYS ILE ASP ASN LEU ASP n/a n/a
51 4AHU - ICO C9 H7 N O2 c1ccc2c(c1....
52 5KRT - 6W6 C9 H5 Cl2 N O2 S c1cc(n(c1C....
53 3AVB ic50 = 85.2 uM SER LEU LYS ILE ASP ASN LEU ASP n/a n/a
54 4CJR Kd = 793 uM FYM C27 H28 N2 O7 CN(Cc1cccc....
55 4AHS - AKH C9 H6 O3 c1cc2ccoc2....
56 4CIF - JDX C26 H28 N2 O5 CN(Cc1cccc....
57 3VQ6 - BCK C11 H12 N2 O Cn1c(c(cn1....
58 3ZT0 Kd = 595 nM ZT0 C26 H27 N2 O6 C[NH+](Cc1....
59 3AO5 Kd = 5.9 mM BBY C11 H10 Br N3 O2 Cn1c(cc(n1....
60 4NYF Kd = 49 nM 4BI C22 H22 Cl N O3 Cc1c(c(c2c....
61 4CK3 Kd = 268 uM K1T C19 H28 N2 O5 CC(C)C[C@@....
62 4CEE - B0T C26 H32 N2 O7 CC[C@H](C)....
63 4AH9 - 0MB C13 H16 N4 S c1ccc(cc1)....
64 4TSX Kd = 10.3 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
65 4CJQ Kd = 256 uM VXO C25 H28 N2 O5 CC(C)C[C@@....
66 5OI5 ic50 = 0.19 uM 9VK C24 H31 N O3 S Cc1c(c(c(s....
67 1HYZ ic50 = 380 uM TTO C24 H20 As O2 c1ccc(cc1)....
68 4CF1 - IY7 C27 H32 N2 O7 c1ccc2c(c1....
69 4CE9 - O3N C31 H38 N2 O7 C=CCN(Cc1c....
70 3AO4 Kd = 8.5 mM 833 C11 H11 N3 O2 Cn1c(cc(n1....
71 3ZT2 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
72 4CFB - OM3 C25 H31 N2 O5 C[N@H+](Cc....
73 3VQD - MOK C11 H9 N O3 Cc1c(c(no1....
74 4CHP - IMV C17 H13 N O5 c1ccc2c(c1....
75 3ZT1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
76 3VQ9 - FBB C7 H5 F N2 S c1cc2c(cc1....
77 3VQC - MPK C11 H11 N O2 Cc1c(c(no1....
78 3ZSV - ZSV C32 H35 N2 O8 COc1ccc(cc....
79 4CJP - 4D2 C21 H24 N2 O5 CC(C)C[C@@....
80 4CGG - K5Q C22 H19 N O7 c1ccc2c(c1....
81 6NUJ - L3D C27 H26 N2 O4 Cc1c(c(c2c....
82 4CFC - 7NV C23 H27 N3 O6 CCCCNC(=O)....
83 4CEF - D0T C29 H30 N2 O7 CN(Cc1cccc....
84 3AO1 Kd = 5.5 mM BZX C7 H6 O3 c1cc2c(cc1....
85 3ZT3 Kd = 1435 uM ZT4 C18 H14 O5 c1ccc2c(c1....
86 4CHO - U2Z C12 H15 N3 O Cc1cc(nn1c....
87 3NF9 ic50 = 290 uM CD9 C17 H12 Cl N O5 c1cc2c(cc1....
88 1HYV ic50 > 5 mM TTA C24 H20 As c1ccc(cc1)....
89 3ZSQ Kd = 10.9 uM O4N C31 H34 N2 O6 CCC[C@@H](....
90 4CGD - 8P3 C16 H13 N O3 c1ccc2c(c1....
91 4CF9 - 5EY C22 H20 O7 c1ccc2c(c1....
92 3AVK - SER LEU LYS ILE ASP ASN GLU ASP n/a n/a
93 4CEC - 2SS C29 H34 N2 O7 C=CCN(Cc1c....
94 4CHQ - CWU C18 H16 O5 c1ccc2c(c1....
95 5HRR - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
96 4CGJ - NZL C24 H28 N2 O5 c1ccc2c(c1....
97 3VQB - FBG C9 H7 F O4 c1c(cc(c2c....
98 4GVM ic50 = 1.49 uM LF2 C22 H21 Br Cl N O3 Cc1c(c(c2c....
99 3VQQ - BTE C6 H5 N3 S c1cc(c2c(c....
100 3AVJ - ALA LEU LYS ILE ASP ASN MET ASP n/a n/a
101 4CFD - S8Y C23 H27 N3 O6 CC(C)(C)NC....
102 4JLH ic50 = 15.6 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
103 4CJK - H39 C21 H26 N2 O5 CC(C)C[C@@....
104 4CF8 - V7H C28 H28 N2 O7 c1ccc(cc1)....
105 4CK1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
106 4CHN - ONZ C10 H9 N O5 c1cc(c2c(c....
107 4OJR - 2SQ C26 H28 F N O5 Cc1c(cc(c2....
108 4ID1 - LF0 C25 H27 N O4 Cc1c(c(c2c....
109 6UM8 Ki = 0.17 uM QCG C29 H30 F N3 O4 Cc1c(cc(c2....
110 3VQ8 - BCU C10 H12 O2 c1ccc2c(c1....
111 6LMI - EJ9 C32 H39 N O6 S Cc1ccc(cc1....
112 3OVN Kd = 2.8 mM MPV C8 H9 N3 S Cn1c(cc(n1....
113 3VQ4 - 0NX C10 H9 N O2 c1ccc(cc1)....
114 4CHZ - H75 C13 H13 Br N2 O c1cc(ccc1N....
115 1QS4 ic50 = 2.3 uM 100 C12 H8 Cl N5 O2 c1cc2c(cc1....
116 4CIG Kd = 214 uM X0P C30 H30 N2 O5 CN(Cc1cccc....
117 6EB1 ic50 = 4.65 uM J3M C30 H29 N O4 CC(C)(C)O[....
118 5HRS - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
119 3AV9 ic50 = 435 uM SER ALA LYS ILE ASP ASN LEU ASP n/a n/a
120 4CED - 9NS C29 H30 N2 O8 C=CCN(Cc1c....
121 4CEZ - O3N C31 H38 N2 O7 C=CCN(Cc1c....
122 4AHR - I2E C10 H10 O4 c1cc2c(cc1....
123 3ZSO Kd = 7.6 uM O2N C35 H34 N2 O7 COc1ccc(cc....
124 5HRP - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
125 3AO3 - BMC C12 H10 N2 O4 Cn1c(cc(n1....
126 5OI2 ic50 = 0.17 uM 9VN C24 H31 N O3 S Cc1c(c(c(s....
127 4CJ4 Kd = 432 uM S3G C21 H24 N2 O5 CC(C)C[C@@....
128 4CJS - L0Y C26 H32 N2 O5 CN(Cc1cccc....
129 3ZCM Kd = 519 uM PX3 C28 H28 N2 O6 COc1ccc(cc....
130 3NF6 ic50 = 295 uM IMV C17 H13 N O5 c1ccc2c(c1....
131 4CEA - ZSW C28 H35 N2 O7 CC[C@@H](C....
132 4CJE - Q31 C20 H25 N3 O5 CC(C)C[C@@....
133 4CJ5 Kd = 200 uM 4VW C22 H26 N2 O5 CC(C)C[C@@....
134 3AVL ic50 = 65.8 uM ALA THR LYS ILE ASP ASN LEU ASP n/a n/a
135 4CGH - LOZ C22 H24 N2 O5 c1ccc2c(c1....
136 6LMQ - 940 C31 H38 N2 O6 S Cc1ccc(cc1....
137 3NF8 - CDQ C18 H14 Cl N O5 c1cc2c(cc1....
138 3VQA - MWP C8 H7 N O2 S c1cc2c(cc1....
139 6EB2 ic50 = 0.48 uM J3P C34 H33 N3 O4 CC(C)(C)O[....
140 4CJV - IV2 C8 H7 Cl N2 S Cc1c(ccc2c....
141 3AVF ic50 = 295 uM ASP LEU LYS ILE ASP ASN LEU ASP n/a n/a
142 5OIA ic50 = 0.17 uM 9VK C24 H31 N O3 S Cc1c(c(c(s....
143 3ZSY - OM3 C25 H31 N2 O5 C[N@H+](Cc....
144 4CEQ - QCH C29 H36 N2 O7 CN(Cc1cccc....
145 3VQ5 - MMJ C12 H14 N2 S Cc1c(sc(n1....
146 4AHV - Z5P C10 H11 N3 c1ccc(c(c1....
70% Homology Family (148)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4CJU - JNS C16 H12 O4 c1ccc(cc1)....
2 6VLM ic50 = 10 uM R2D C17 H11 Cl N2 O2 S c1ccc2c(c1....
3 4CEB Kd = 1080 uM ZSV C32 H35 N2 O8 COc1ccc(cc....
4 3AVG - ALA ASP LYS ILE ASP ASN LEU ASP n/a n/a
5 4CIE - Y7N C24 H26 N2 O5 c1ccc2c(c1....
6 4LH5 ic50 = 0.23 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
7 5OI8 ic50 = 0.21 uM 9VN C24 H31 N O3 S Cc1c(c(c(s....
8 3NFA - CBJ C18 H12 Br N O6 c1cc2c(cc1....
9 3ZSZ - OM2 C22 H27 N2 O5 CC[C@H](C)....
10 4DMN ic50 = 2.3 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
11 3L3V - GLC FRU n/a n/a
12 4CJL - 9PA C20 H30 N2 O5 CC(C)C[C@@....
13 3AVA ic50 = 39.7 uM ALA LEU LYS ILE ASP ASN LEU ASP n/a n/a
14 4CF0 - O5U C28 H34 N2 O7 c1ccc2c(c1....
15 4AHT - Q6T C8 H6 O4 c1cc(c2c(c....
16 4O5B - LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
17 4CER - VL4 C27 H32 N2 O7 CN(Cc1cccc....
18 4CFA - WOP C26 H25 N3 O6 CN(Cc1ccc2....
19 4CJT - HLR C7 H6 N2 O c1ccc2c(c1....
20 4CJ3 - E4F C23 H26 N2 O5 c1ccc2c(c1....
21 4CGF - UJ6 C17 H13 N O5 c1ccc2c(c1....
22 4CJF - RVN C17 H11 N O5 c1ccc2c(c1....
23 5KGW - 7SK C24 H27 N O4 CC(C)(C)O[....
24 3ZSW - ZSW C28 H35 N2 O7 CC[C@@H](C....
25 4O55 ic50 = 5.03 uM LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
26 4E1N ic50 = 19 nM TQX C26 H28 F N O4 Cc1c(cc(c2....
27 4CEO - G0T C30 H32 N2 O8 CN(Cc1cccc....
28 3NF7 ic50 = 340 uM CIW C17 H12 Cl N O5 c1cc2c(cc1....
29 3AO2 Kd = 0.17 mM AVX C11 H10 Br N3 O2 Cn1c(cc(n1....
30 3ZT4 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
31 4OVL - 1TD C16 H11 N O3 c1ccc2c(c1....
32 5KRS - 6XI C9 H7 N O2 S c1ccn(c1)c....
33 3AVN - SER HIS LYS ILE ASP ASN LEU ASP n/a n/a
34 4CHY - C5Q C17 H13 N O4 c1ccc2c(c1....
35 3ZSR - O3N C31 H38 N2 O7 C=CCN(Cc1c....
36 4CGI Kd = 752 uM NZL C24 H28 N2 O5 c1ccc2c(c1....
37 3VQE - FMQ C11 H11 F N2 O Cc1c(cnn1c....
38 3AVI - SER LEU LYS ILE ASP ASN MET ASP n/a n/a
39 3VQP - DBJ C9 H10 O3 c1cc(c2c(c....
40 4CK2 - NVU C9 H7 N O3 c1ccc2c(c1....
41 4CJW - CBJ C18 H12 Br N O6 c1cc2c(cc1....
42 3VQ7 - GLC FRU n/a n/a
43 6NCJ ic50 = 0.024 uM KJJ C35 H41 F N2 O4 Cc1c(cc(c2....
44 4CES - NFW C27 H28 N2 O8 CN(Cc1cccc....
45 4CF2 - 3GM C26 H30 N2 O7 c1ccc2c(c1....
46 3AVH - ALA ARG LYS ILE ASP ASN LEU ASP n/a n/a
47 3ZSX - N44 C27 H25 N2 O5 C=CCN(Cc1c....
48 3AVC - SER ASP LYS ILE ASP ASN LEU ASP n/a n/a
49 4O0J ic50 = 13 uM LF8 C27 H30 Cl N O3 Cc1ccc(cc1....
50 3AVM - SER ARG LYS ILE ASP ASN LEU ASP n/a n/a
51 4AHU - ICO C9 H7 N O2 c1ccc2c(c1....
52 5KRT - 6W6 C9 H5 Cl2 N O2 S c1cc(n(c1C....
53 3AVB ic50 = 85.2 uM SER LEU LYS ILE ASP ASN LEU ASP n/a n/a
54 4CJR Kd = 793 uM FYM C27 H28 N2 O7 CN(Cc1cccc....
55 4AHS - AKH C9 H6 O3 c1cc2ccoc2....
56 4CIF - JDX C26 H28 N2 O5 CN(Cc1cccc....
57 3VQ6 - BCK C11 H12 N2 O Cn1c(c(cn1....
58 3ZT0 Kd = 595 nM ZT0 C26 H27 N2 O6 C[NH+](Cc1....
59 3AO5 Kd = 5.9 mM BBY C11 H10 Br N3 O2 Cn1c(cc(n1....
60 4NYF Kd = 49 nM 4BI C22 H22 Cl N O3 Cc1c(c(c2c....
61 4CK3 Kd = 268 uM K1T C19 H28 N2 O5 CC(C)C[C@@....
62 4CEE - B0T C26 H32 N2 O7 CC[C@H](C)....
63 4AH9 - 0MB C13 H16 N4 S c1ccc(cc1)....
64 4TSX Kd = 10.3 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
65 4CJQ Kd = 256 uM VXO C25 H28 N2 O5 CC(C)C[C@@....
66 5OI5 ic50 = 0.19 uM 9VK C24 H31 N O3 S Cc1c(c(c(s....
67 1HYZ ic50 = 380 uM TTO C24 H20 As O2 c1ccc(cc1)....
68 4CF1 - IY7 C27 H32 N2 O7 c1ccc2c(c1....
69 4CE9 - O3N C31 H38 N2 O7 C=CCN(Cc1c....
70 3AO4 Kd = 8.5 mM 833 C11 H11 N3 O2 Cn1c(cc(n1....
71 3ZT2 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
72 4CFB - OM3 C25 H31 N2 O5 C[N@H+](Cc....
73 3VQD - MOK C11 H9 N O3 Cc1c(c(no1....
74 4CHP - IMV C17 H13 N O5 c1ccc2c(c1....
75 3ZT1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
76 3VQ9 - FBB C7 H5 F N2 S c1cc2c(cc1....
77 3VQC - MPK C11 H11 N O2 Cc1c(c(no1....
78 3ZSV - ZSV C32 H35 N2 O8 COc1ccc(cc....
79 4CJP - 4D2 C21 H24 N2 O5 CC(C)C[C@@....
80 4CGG - K5Q C22 H19 N O7 c1ccc2c(c1....
81 6NUJ - L3D C27 H26 N2 O4 Cc1c(c(c2c....
82 4CFC - 7NV C23 H27 N3 O6 CCCCNC(=O)....
83 4CEF - D0T C29 H30 N2 O7 CN(Cc1cccc....
84 3AO1 Kd = 5.5 mM BZX C7 H6 O3 c1cc2c(cc1....
85 3ZT3 Kd = 1435 uM ZT4 C18 H14 O5 c1ccc2c(c1....
86 4CHO - U2Z C12 H15 N3 O Cc1cc(nn1c....
87 3NF9 ic50 = 290 uM CD9 C17 H12 Cl N O5 c1cc2c(cc1....
88 1HYV ic50 > 5 mM TTA C24 H20 As c1ccc(cc1)....
89 3ZSQ Kd = 10.9 uM O4N C31 H34 N2 O6 CCC[C@@H](....
90 4CGD - 8P3 C16 H13 N O3 c1ccc2c(c1....
91 4CF9 - 5EY C22 H20 O7 c1ccc2c(c1....
92 3AVK - SER LEU LYS ILE ASP ASN GLU ASP n/a n/a
93 4CEC - 2SS C29 H34 N2 O7 C=CCN(Cc1c....
94 4CHQ - CWU C18 H16 O5 c1ccc2c(c1....
95 5HRR - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
96 4CGJ - NZL C24 H28 N2 O5 c1ccc2c(c1....
97 3VQB - FBG C9 H7 F O4 c1c(cc(c2c....
98 4GVM ic50 = 1.49 uM LF2 C22 H21 Br Cl N O3 Cc1c(c(c2c....
99 3VQQ - BTE C6 H5 N3 S c1cc(c2c(c....
100 3AVJ - ALA LEU LYS ILE ASP ASN MET ASP n/a n/a
101 4CFD - S8Y C23 H27 N3 O6 CC(C)(C)NC....
102 4JLH ic50 = 15.6 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
103 4CJK - H39 C21 H26 N2 O5 CC(C)C[C@@....
104 4CF8 - V7H C28 H28 N2 O7 c1ccc(cc1)....
105 4CK1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
106 4CHN - ONZ C10 H9 N O5 c1cc(c2c(c....
107 4OJR - 2SQ C26 H28 F N O5 Cc1c(cc(c2....
108 4ID1 - LF0 C25 H27 N O4 Cc1c(c(c2c....
109 6UM8 Ki = 0.17 uM QCG C29 H30 F N3 O4 Cc1c(cc(c2....
110 3VQ8 - BCU C10 H12 O2 c1ccc2c(c1....
111 6LMI - EJ9 C32 H39 N O6 S Cc1ccc(cc1....
112 3OVN Kd = 2.8 mM MPV C8 H9 N3 S Cn1c(cc(n1....
113 3VQ4 - 0NX C10 H9 N O2 c1ccc(cc1)....
114 4CHZ - H75 C13 H13 Br N2 O c1cc(ccc1N....
115 1QS4 ic50 = 2.3 uM 100 C12 H8 Cl N5 O2 c1cc2c(cc1....
116 4CIG Kd = 214 uM X0P C30 H30 N2 O5 CN(Cc1cccc....
117 6EB1 ic50 = 4.65 uM J3M C30 H29 N O4 CC(C)(C)O[....
118 5HRS - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
119 3AV9 ic50 = 435 uM SER ALA LYS ILE ASP ASN LEU ASP n/a n/a
120 4CED - 9NS C29 H30 N2 O8 C=CCN(Cc1c....
121 4CEZ - O3N C31 H38 N2 O7 C=CCN(Cc1c....
122 4AHR - I2E C10 H10 O4 c1cc2c(cc1....
123 3ZSO Kd = 7.6 uM O2N C35 H34 N2 O7 COc1ccc(cc....
124 5HRP - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
125 3AO3 - BMC C12 H10 N2 O4 Cn1c(cc(n1....
126 5OI2 ic50 = 0.17 uM 9VN C24 H31 N O3 S Cc1c(c(c(s....
127 4CJ4 Kd = 432 uM S3G C21 H24 N2 O5 CC(C)C[C@@....
128 4CJS - L0Y C26 H32 N2 O5 CN(Cc1cccc....
129 3ZCM Kd = 519 uM PX3 C28 H28 N2 O6 COc1ccc(cc....
130 3NF6 ic50 = 295 uM IMV C17 H13 N O5 c1ccc2c(c1....
131 4CEA - ZSW C28 H35 N2 O7 CC[C@@H](C....
132 4CJE - Q31 C20 H25 N3 O5 CC(C)C[C@@....
133 4CJ5 Kd = 200 uM 4VW C22 H26 N2 O5 CC(C)C[C@@....
134 3AVL ic50 = 65.8 uM ALA THR LYS ILE ASP ASN LEU ASP n/a n/a
135 4CGH - LOZ C22 H24 N2 O5 c1ccc2c(c1....
136 6LMQ - 940 C31 H38 N2 O6 S Cc1ccc(cc1....
137 3NF8 - CDQ C18 H14 Cl N O5 c1cc2c(cc1....
138 3VQA - MWP C8 H7 N O2 S c1cc2c(cc1....
139 6EB2 ic50 = 0.48 uM J3P C34 H33 N3 O4 CC(C)(C)O[....
140 4CJV - IV2 C8 H7 Cl N2 S Cc1c(ccc2c....
141 3AVF ic50 = 295 uM ASP LEU LYS ILE ASP ASN LEU ASP n/a n/a
142 5OIA ic50 = 0.17 uM 9VK C24 H31 N O3 S Cc1c(c(c(s....
143 3ZSY - OM3 C25 H31 N2 O5 C[N@H+](Cc....
144 4CEQ - QCH C29 H36 N2 O7 CN(Cc1cccc....
145 3VQ5 - MMJ C12 H14 N2 S Cc1c(sc(n1....
146 4AHV - Z5P C10 H11 N3 c1ccc(c(c1....
147 4E1M ic50 = 215 nM TQ2 C24 H27 N O3 Cc1ccc(cc1....
148 5HRN - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
50% Homology Family (148)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4CJU - JNS C16 H12 O4 c1ccc(cc1)....
2 6VLM ic50 = 10 uM R2D C17 H11 Cl N2 O2 S c1ccc2c(c1....
3 4CEB Kd = 1080 uM ZSV C32 H35 N2 O8 COc1ccc(cc....
4 3AVG - ALA ASP LYS ILE ASP ASN LEU ASP n/a n/a
5 4CIE - Y7N C24 H26 N2 O5 c1ccc2c(c1....
6 4LH5 ic50 = 0.23 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
7 5OI8 ic50 = 0.21 uM 9VN C24 H31 N O3 S Cc1c(c(c(s....
8 3NFA - CBJ C18 H12 Br N O6 c1cc2c(cc1....
9 3ZSZ - OM2 C22 H27 N2 O5 CC[C@H](C)....
10 4DMN ic50 = 2.3 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
11 3L3V - GLC FRU n/a n/a
12 4CJL - 9PA C20 H30 N2 O5 CC(C)C[C@@....
13 3AVA ic50 = 39.7 uM ALA LEU LYS ILE ASP ASN LEU ASP n/a n/a
14 4CF0 - O5U C28 H34 N2 O7 c1ccc2c(c1....
15 4AHT - Q6T C8 H6 O4 c1cc(c2c(c....
16 4O5B - LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
17 4CER - VL4 C27 H32 N2 O7 CN(Cc1cccc....
18 4CFA - WOP C26 H25 N3 O6 CN(Cc1ccc2....
19 4CJT - HLR C7 H6 N2 O c1ccc2c(c1....
20 4CJ3 - E4F C23 H26 N2 O5 c1ccc2c(c1....
21 4CGF - UJ6 C17 H13 N O5 c1ccc2c(c1....
22 4CJF - RVN C17 H11 N O5 c1ccc2c(c1....
23 5KGW - 7SK C24 H27 N O4 CC(C)(C)O[....
24 3ZSW - ZSW C28 H35 N2 O7 CC[C@@H](C....
25 4O55 ic50 = 5.03 uM LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
26 4E1N ic50 = 19 nM TQX C26 H28 F N O4 Cc1c(cc(c2....
27 4CEO - G0T C30 H32 N2 O8 CN(Cc1cccc....
28 3NF7 ic50 = 340 uM CIW C17 H12 Cl N O5 c1cc2c(cc1....
29 3AO2 Kd = 0.17 mM AVX C11 H10 Br N3 O2 Cn1c(cc(n1....
30 3ZT4 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
31 4OVL - 1TD C16 H11 N O3 c1ccc2c(c1....
32 5KRS - 6XI C9 H7 N O2 S c1ccn(c1)c....
33 3AVN - SER HIS LYS ILE ASP ASN LEU ASP n/a n/a
34 4CHY - C5Q C17 H13 N O4 c1ccc2c(c1....
35 3ZSR - O3N C31 H38 N2 O7 C=CCN(Cc1c....
36 4CGI Kd = 752 uM NZL C24 H28 N2 O5 c1ccc2c(c1....
37 3VQE - FMQ C11 H11 F N2 O Cc1c(cnn1c....
38 3AVI - SER LEU LYS ILE ASP ASN MET ASP n/a n/a
39 3VQP - DBJ C9 H10 O3 c1cc(c2c(c....
40 4CK2 - NVU C9 H7 N O3 c1ccc2c(c1....
41 4CJW - CBJ C18 H12 Br N O6 c1cc2c(cc1....
42 3VQ7 - GLC FRU n/a n/a
43 6NCJ ic50 = 0.024 uM KJJ C35 H41 F N2 O4 Cc1c(cc(c2....
44 4CES - NFW C27 H28 N2 O8 CN(Cc1cccc....
45 4CF2 - 3GM C26 H30 N2 O7 c1ccc2c(c1....
46 3AVH - ALA ARG LYS ILE ASP ASN LEU ASP n/a n/a
47 3ZSX - N44 C27 H25 N2 O5 C=CCN(Cc1c....
48 3AVC - SER ASP LYS ILE ASP ASN LEU ASP n/a n/a
49 4O0J ic50 = 13 uM LF8 C27 H30 Cl N O3 Cc1ccc(cc1....
50 3AVM - SER ARG LYS ILE ASP ASN LEU ASP n/a n/a
51 4AHU - ICO C9 H7 N O2 c1ccc2c(c1....
52 5KRT - 6W6 C9 H5 Cl2 N O2 S c1cc(n(c1C....
53 3AVB ic50 = 85.2 uM SER LEU LYS ILE ASP ASN LEU ASP n/a n/a
54 4CJR Kd = 793 uM FYM C27 H28 N2 O7 CN(Cc1cccc....
55 4AHS - AKH C9 H6 O3 c1cc2ccoc2....
56 4CIF - JDX C26 H28 N2 O5 CN(Cc1cccc....
57 3VQ6 - BCK C11 H12 N2 O Cn1c(c(cn1....
58 3ZT0 Kd = 595 nM ZT0 C26 H27 N2 O6 C[NH+](Cc1....
59 3AO5 Kd = 5.9 mM BBY C11 H10 Br N3 O2 Cn1c(cc(n1....
60 4NYF Kd = 49 nM 4BI C22 H22 Cl N O3 Cc1c(c(c2c....
61 4CK3 Kd = 268 uM K1T C19 H28 N2 O5 CC(C)C[C@@....
62 4CEE - B0T C26 H32 N2 O7 CC[C@H](C)....
63 4AH9 - 0MB C13 H16 N4 S c1ccc(cc1)....
64 4TSX Kd = 10.3 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
65 4CJQ Kd = 256 uM VXO C25 H28 N2 O5 CC(C)C[C@@....
66 5OI5 ic50 = 0.19 uM 9VK C24 H31 N O3 S Cc1c(c(c(s....
67 1HYZ ic50 = 380 uM TTO C24 H20 As O2 c1ccc(cc1)....
68 4CF1 - IY7 C27 H32 N2 O7 c1ccc2c(c1....
69 4CE9 - O3N C31 H38 N2 O7 C=CCN(Cc1c....
70 3AO4 Kd = 8.5 mM 833 C11 H11 N3 O2 Cn1c(cc(n1....
71 3ZT2 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
72 4CFB - OM3 C25 H31 N2 O5 C[N@H+](Cc....
73 3VQD - MOK C11 H9 N O3 Cc1c(c(no1....
74 4CHP - IMV C17 H13 N O5 c1ccc2c(c1....
75 3ZT1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
76 3VQ9 - FBB C7 H5 F N2 S c1cc2c(cc1....
77 3VQC - MPK C11 H11 N O2 Cc1c(c(no1....
78 3ZSV - ZSV C32 H35 N2 O8 COc1ccc(cc....
79 4CJP - 4D2 C21 H24 N2 O5 CC(C)C[C@@....
80 4CGG - K5Q C22 H19 N O7 c1ccc2c(c1....
81 6NUJ - L3D C27 H26 N2 O4 Cc1c(c(c2c....
82 4CFC - 7NV C23 H27 N3 O6 CCCCNC(=O)....
83 4CEF - D0T C29 H30 N2 O7 CN(Cc1cccc....
84 3AO1 Kd = 5.5 mM BZX C7 H6 O3 c1cc2c(cc1....
85 3ZT3 Kd = 1435 uM ZT4 C18 H14 O5 c1ccc2c(c1....
86 4CHO - U2Z C12 H15 N3 O Cc1cc(nn1c....
87 3NF9 ic50 = 290 uM CD9 C17 H12 Cl N O5 c1cc2c(cc1....
88 1HYV ic50 > 5 mM TTA C24 H20 As c1ccc(cc1)....
89 3ZSQ Kd = 10.9 uM O4N C31 H34 N2 O6 CCC[C@@H](....
90 4CGD - 8P3 C16 H13 N O3 c1ccc2c(c1....
91 4CF9 - 5EY C22 H20 O7 c1ccc2c(c1....
92 3AVK - SER LEU LYS ILE ASP ASN GLU ASP n/a n/a
93 4CEC - 2SS C29 H34 N2 O7 C=CCN(Cc1c....
94 4CHQ - CWU C18 H16 O5 c1ccc2c(c1....
95 5HRR - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
96 4CGJ - NZL C24 H28 N2 O5 c1ccc2c(c1....
97 3VQB - FBG C9 H7 F O4 c1c(cc(c2c....
98 4GVM ic50 = 1.49 uM LF2 C22 H21 Br Cl N O3 Cc1c(c(c2c....
99 3VQQ - BTE C6 H5 N3 S c1cc(c2c(c....
100 3AVJ - ALA LEU LYS ILE ASP ASN MET ASP n/a n/a
101 4CFD - S8Y C23 H27 N3 O6 CC(C)(C)NC....
102 4JLH ic50 = 15.6 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
103 4CJK - H39 C21 H26 N2 O5 CC(C)C[C@@....
104 4CF8 - V7H C28 H28 N2 O7 c1ccc(cc1)....
105 4CK1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
106 4CHN - ONZ C10 H9 N O5 c1cc(c2c(c....
107 4OJR - 2SQ C26 H28 F N O5 Cc1c(cc(c2....
108 4ID1 - LF0 C25 H27 N O4 Cc1c(c(c2c....
109 6UM8 Ki = 0.17 uM QCG C29 H30 F N3 O4 Cc1c(cc(c2....
110 3VQ8 - BCU C10 H12 O2 c1ccc2c(c1....
111 6LMI - EJ9 C32 H39 N O6 S Cc1ccc(cc1....
112 3OVN Kd = 2.8 mM MPV C8 H9 N3 S Cn1c(cc(n1....
113 3VQ4 - 0NX C10 H9 N O2 c1ccc(cc1)....
114 4CHZ - H75 C13 H13 Br N2 O c1cc(ccc1N....
115 1QS4 ic50 = 2.3 uM 100 C12 H8 Cl N5 O2 c1cc2c(cc1....
116 4CIG Kd = 214 uM X0P C30 H30 N2 O5 CN(Cc1cccc....
117 6EB1 ic50 = 4.65 uM J3M C30 H29 N O4 CC(C)(C)O[....
118 5HRS - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
119 3AV9 ic50 = 435 uM SER ALA LYS ILE ASP ASN LEU ASP n/a n/a
120 4CED - 9NS C29 H30 N2 O8 C=CCN(Cc1c....
121 4CEZ - O3N C31 H38 N2 O7 C=CCN(Cc1c....
122 4AHR - I2E C10 H10 O4 c1cc2c(cc1....
123 3ZSO Kd = 7.6 uM O2N C35 H34 N2 O7 COc1ccc(cc....
124 5HRP - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
125 3AO3 - BMC C12 H10 N2 O4 Cn1c(cc(n1....
126 5OI2 ic50 = 0.17 uM 9VN C24 H31 N O3 S Cc1c(c(c(s....
127 4CJ4 Kd = 432 uM S3G C21 H24 N2 O5 CC(C)C[C@@....
128 4CJS - L0Y C26 H32 N2 O5 CN(Cc1cccc....
129 3ZCM Kd = 519 uM PX3 C28 H28 N2 O6 COc1ccc(cc....
130 3NF6 ic50 = 295 uM IMV C17 H13 N O5 c1ccc2c(c1....
131 4CEA - ZSW C28 H35 N2 O7 CC[C@@H](C....
132 4CJE - Q31 C20 H25 N3 O5 CC(C)C[C@@....
133 4CJ5 Kd = 200 uM 4VW C22 H26 N2 O5 CC(C)C[C@@....
134 3AVL ic50 = 65.8 uM ALA THR LYS ILE ASP ASN LEU ASP n/a n/a
135 4CGH - LOZ C22 H24 N2 O5 c1ccc2c(c1....
136 6LMQ - 940 C31 H38 N2 O6 S Cc1ccc(cc1....
137 3NF8 - CDQ C18 H14 Cl N O5 c1cc2c(cc1....
138 3VQA - MWP C8 H7 N O2 S c1cc2c(cc1....
139 6EB2 ic50 = 0.48 uM J3P C34 H33 N3 O4 CC(C)(C)O[....
140 4CJV - IV2 C8 H7 Cl N2 S Cc1c(ccc2c....
141 3AVF ic50 = 295 uM ASP LEU LYS ILE ASP ASN LEU ASP n/a n/a
142 5OIA ic50 = 0.17 uM 9VK C24 H31 N O3 S Cc1c(c(c(s....
143 3ZSY - OM3 C25 H31 N2 O5 C[N@H+](Cc....
144 4CEQ - QCH C29 H36 N2 O7 CN(Cc1cccc....
145 3VQ5 - MMJ C12 H14 N2 S Cc1c(sc(n1....
146 4AHV - Z5P C10 H11 N3 c1ccc(c(c1....
147 4E1M ic50 = 215 nM TQ2 C24 H27 N O3 Cc1ccc(cc1....
148 5HRN - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: I2E; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 I2E 1 1
2 BDS 0.538462 0.763158
3 MR1 0.489362 0.631579
4 BYS 0.451613 0.763158
5 0HN 0.44 0.84375
Similar Ligands (3D)
Ligand no: 1; Ligand: I2E; Similar ligands found: 1111
No: Ligand Similarity coefficient
1 IOP 0.9738
2 EYJ 0.9677
3 DHC 0.9669
4 9BF 0.9581
5 4BX 0.9570
6 TRP 0.9552
7 LTN 0.9523
8 DTR 0.9508
9 XCG 0.9502
10 FER 0.9484
11 N7I 0.9479
12 4OG 0.9474
13 ITW 0.9458
14 ZIP 0.9457
15 NAL 0.9452
16 AMR 0.9439
17 HPP 0.9439
18 4FE 0.9437
19 363 0.9433
20 DEW 0.9425
21 SYE 0.9424
22 4Z9 0.9424
23 B41 0.9422
24 IOS 0.9413
25 EYY 0.9411
26 S0D 0.9411
27 3IL 0.9410
28 QIV 0.9393
29 HC4 0.9392
30 3D3 0.9390
31 6N4 0.9390
32 JCZ 0.9387
33 4CN 0.9387
34 SBK 0.9385
35 IAC 0.9385
36 BQ2 0.9383
37 8XL 0.9381
38 2FX 0.9381
39 F52 0.9380
40 GJK 0.9379
41 6J5 0.9367
42 ZEA 0.9362
43 0UL 0.9359
44 RSV 0.9357
45 TMG 0.9356
46 HA6 0.9350
47 AHC 0.9350
48 HLP 0.9348
49 MD6 0.9346
50 AAN 0.9344
51 3IB 0.9343
52 DTY 0.9338
53 6FG 0.9335
54 QME 0.9333
55 EUH 0.9332
56 LVD 0.9329
57 1FE 0.9320
58 M3Q 0.9317
59 LL1 0.9312
60 P81 0.9306
61 NFZ 0.9304
62 GO2 0.9304
63 H35 0.9303
64 STV 0.9301
65 1QP 0.9300
66 FPL 0.9297
67 833 0.9296
68 FCW 0.9295
69 K4V 0.9295
70 TSR 0.9294
71 NIY 0.9293
72 EYV 0.9284
73 DHY 0.9281
74 PRO GLY 0.9279
75 YOF 0.9279
76 ZEZ 0.9276
77 TCR 0.9276
78 A6W 0.9276
79 6C9 0.9273
80 3VQ 0.9271
81 2UD 0.9271
82 MNP 0.9271
83 3VS 0.9270
84 JPQ 0.9269
85 GHQ 0.9264
86 D8Q 0.9263
87 YE7 0.9263
88 CTE 0.9262
89 3EB 0.9261
90 6C8 0.9261
91 535 0.9259
92 6C5 0.9257
93 GB5 0.9252
94 ZRK 0.9250
95 6MW 0.9247
96 NVU 0.9246
97 5WN 0.9245
98 BSA 0.9245
99 XEN 0.9244
100 ZON 0.9242
101 EXL 0.9240
102 9UL 0.9240
103 657 0.9240
104 C4E 0.9240
105 5E5 0.9239
106 P80 0.9238
107 3XH 0.9237
108 FTV 0.9233
109 ALN 0.9232
110 5TO 0.9232
111 GO8 0.9231
112 PHE 0.9231
113 0FR 0.9230
114 PLP 0.9230
115 Y3L 0.9230
116 3SU 0.9229
117 RA7 0.9229
118 0A1 0.9228
119 RNO 0.9227
120 FT6 0.9226
121 QBM 0.9226
122 OLU 0.9225
123 52F 0.9221
124 6HP 0.9220
125 F90 0.9219
126 LR8 0.9218
127 SNO 0.9217
128 TYR 0.9213
129 7PJ 0.9211
130 EWG 0.9209
131 TR7 0.9208
132 4AU 0.9208
133 MJ5 0.9207
134 0SY 0.9207
135 96Z 0.9205
136 RCV 0.9205
137 VM1 0.9204
138 YIH 0.9203
139 4I8 0.9202
140 MJW 0.9201
141 5OO 0.9198
142 DAH 0.9197
143 TSS 0.9195
144 FZM 0.9193
145 9VQ 0.9192
146 2GQ 0.9191
147 IBP 0.9191
148 RQD 0.9187
149 7EH 0.9186
150 5B2 0.9185
151 CFA 0.9181
152 ENO 0.9181
153 MQB 0.9181
154 9F8 0.9180
155 ZHA 0.9178
156 QUS 0.9177
157 MMS 0.9177
158 EXG 0.9174
159 848 0.9174
160 KF5 0.9172
161 G6P 0.9171
162 14W 0.9170
163 RVE 0.9167
164 6C4 0.9167
165 KLS 0.9166
166 TZM 0.9165
167 SQV 0.9165
168 ALE 0.9163
169 ARP 0.9163
170 WA2 0.9162
171 4NP 0.9161
172 3VX 0.9161
173 CH8 0.9160
174 ZEC 0.9158
175 F4E 0.9158
176 5O6 0.9156
177 5F5 0.9151
178 0OO 0.9148
179 DTE 0.9148
180 4NS 0.9148
181 G14 0.9148
182 5O5 0.9146
183 MP5 0.9145
184 PUE 0.9144
185 ODK 0.9144
186 0XR 0.9143
187 N91 0.9142
188 EXR 0.9141
189 PQT 0.9141
190 GT4 0.9139
191 CIY 0.9138
192 M02 0.9137
193 S0W 0.9137
194 DXK 0.9137
195 ZIQ 0.9136
196 S7G 0.9136
197 4FF 0.9136
198 6P3 0.9136
199 KYN 0.9135
200 NPA 0.9134
201 5FL 0.9134
202 3VW 0.9133
203 36M 0.9132
204 J4K 0.9132
205 6HO 0.9132
206 5F8 0.9131
207 CC5 0.9130
208 BZM 0.9130
209 4MB 0.9130
210 78Y 0.9130
211 1AJ 0.9129
212 6SD 0.9129
213 NFM 0.9128
214 2O8 0.9128
215 1EB 0.9123
216 4YZ 0.9121
217 FF2 0.9121
218 KMY 0.9118
219 2UB 0.9118
220 2JX 0.9117
221 5VU 0.9115
222 549 0.9112
223 2HC 0.9110
224 3D8 0.9110
225 3TC 0.9109
226 SKF 0.9109
227 0NX 0.9107
228 4AF 0.9107
229 EN1 0.9106
230 SRO 0.9106
231 0LH 0.9105
232 S7D 0.9105
233 0QW 0.9104
234 DPN 0.9103
235 XI7 0.9101
236 M5H 0.9100
237 6ZX 0.9098
238 VJJ 0.9097
239 P93 0.9097
240 PPT 0.9097
241 VC3 0.9095
242 APS 0.9093
243 EV2 0.9093
244 4Z1 0.9092
245 1PS 0.9092
246 ASE 0.9092
247 OA1 0.9088
248 2KU 0.9086
249 HWH 0.9086
250 OHJ 0.9086
251 YF3 0.9082
252 YE6 0.9080
253 4ZD 0.9078
254 BZQ 0.9077
255 A7Q 0.9075
256 61M 0.9075
257 RPN 0.9073
258 EUE 0.9073
259 F5C 0.9073
260 HCI 0.9072
261 STX 0.9071
262 XDE 0.9068
263 AJG 0.9068
264 4CM 0.9067
265 ZZA 0.9067
266 C53 0.9066
267 EVF 0.9064
268 78U 0.9064
269 4FP 0.9062
270 S24 0.9061
271 HSX 0.9059
272 MXD 0.9057
273 PNP 0.9057
274 92P 0.9055
275 SB7 0.9055
276 SJK 0.9055
277 0QA 0.9054
278 HNT 0.9052
279 795 0.9048
280 PFF 0.9046
281 GB4 0.9046
282 AC2 0.9044
283 54F 0.9043
284 2D2 0.9043
285 3C4 0.9043
286 SAF 0.9043
287 TPM 0.9042
288 BB4 0.9042
289 QBP 0.9042
290 2L1 0.9041
291 WV7 0.9041
292 C2Y 0.9040
293 A7H 0.9040
294 9NB 0.9040
295 3N1 0.9038
296 JAH 0.9037
297 E9P 0.9036
298 TID 0.9036
299 27K 0.9033
300 OW7 0.9032
301 GZV 0.9032
302 LSQ 0.9032
303 C82 0.9031
304 JYT 0.9030
305 30G 0.9030
306 4XF 0.9030
307 6FB 0.9030
308 LZ5 0.9030
309 QH3 0.9030
310 JZA 0.9030
311 BL0 0.9028
312 RD4 0.9027
313 EGR 0.9027
314 C9E 0.9025
315 11X 0.9024
316 LDP 0.9022
317 CS2 0.9022
318 5TZ 0.9022
319 N2M 0.9019
320 B1J 0.9019
321 YIE 0.9018
322 CHQ 0.9018
323 7MX 0.9015
324 DA3 0.9015
325 T03 0.9014
326 68B 0.9014
327 OIA 0.9013
328 HRM 0.9013
329 5LD 0.9013
330 3R4 0.9012
331 EQW 0.9012
332 C9M 0.9012
333 2PK 0.9012
334 JBZ 0.9011
335 NKI 0.9011
336 PLR 0.9010
337 6DP 0.9009
338 WLH 0.9009
339 5GT 0.9008
340 BG6 0.9008
341 1ZC 0.9007
342 J1K 0.9007
343 BPW 0.9007
344 5V7 0.9007
345 3IP 0.9006
346 HBI 0.9006
347 TB8 0.9005
348 JXK 0.9002
349 2LY 0.9002
350 9VZ 0.9002
351 HX8 0.9002
352 TX4 0.9001
353 0OK 0.9000
354 BVS 0.8998
355 TYE 0.8998
356 U7E 0.8997
357 SB9 0.8996
358 8V8 0.8993
359 X0U 0.8993
360 GVY 0.8993
361 DDU 0.8992
362 92G 0.8991
363 5AD 0.8990
364 PYU 0.8990
365 KWB 0.8989
366 8YH 0.8989
367 FHV 0.8989
368 5ER 0.8988
369 D3G 0.8987
370 QUB 0.8986
371 TYC 0.8985
372 YPN 0.8984
373 MS0 0.8984
374 HL4 0.8984
375 2PV 0.8984
376 S8D 0.8983
377 EMU 0.8983
378 AHL 0.8983
379 ETV 0.8982
380 M5E 0.8980
381 2J1 0.8979
382 X48 0.8979
383 TAG 0.8978
384 MQG 0.8976
385 H4E 0.8975
386 PMP 0.8975
387 67Y 0.8974
388 BP7 0.8973
389 L21 0.8972
390 GXG 0.8971
391 PBN 0.8971
392 5F1 0.8970
393 QMS 0.8969
394 PH3 0.8969
395 2LT 0.8969
396 HF2 0.8968
397 I3E 0.8967
398 1F1 0.8967
399 AZY 0.8965
400 R8Y 0.8965
401 YIP 0.8964
402 BDI 0.8963
403 Z13 0.8963
404 8U3 0.8962
405 D2G 0.8962
406 HWD 0.8960
407 CSN 0.8960
408 CX4 0.8959
409 RNK 0.8959
410 2O6 0.8958
411 RDV 0.8958
412 X04 0.8958
413 6J9 0.8956
414 3D1 0.8956
415 NK5 0.8956
416 J6W 0.8956
417 NAG 0.8955
418 GZ2 0.8955
419 NLA 0.8955
420 O45 0.8954
421 3LJ 0.8953
422 N2Y 0.8953
423 FWD 0.8953
424 L22 0.8953
425 A9B 0.8953
426 N2I 0.8952
427 B3U 0.8952
428 JMG 0.8952
429 LNR 0.8952
430 ATX 0.8951
431 M78 0.8951
432 LEL 0.8951
433 3QO 0.8951
434 PQM 0.8951
435 PBA 0.8950
436 TLM 0.8949
437 HXY 0.8949
438 PPN 0.8948
439 II4 0.8948
440 L1T 0.8947
441 IYR 0.8946
442 JYW 0.8946
443 55D 0.8945
444 22F 0.8945
445 JOV 0.8945
446 LTT 0.8944
447 A5P 0.8944
448 EAT 0.8944
449 S0F 0.8943
450 JVD 0.8943
451 A5Q 0.8943
452 AP6 0.8943
453 BK9 0.8942
454 PZP 0.8942
455 PLP PMP 0.8942
456 KLE 0.8941
457 4BF 0.8940
458 80G 0.8940
459 263 0.8937
460 1A7 0.8937
461 P9E 0.8937
462 BCU 0.8937
463 6NT 0.8937
464 4BY 0.8937
465 2P3 0.8936
466 OJD 0.8934
467 D9Z 0.8933
468 XQI 0.8932
469 DEZ 0.8932
470 GLP 0.8932
471 ZME 0.8932
472 6Q3 0.8931
473 GNR 0.8930
474 R9G 0.8930
475 1VK 0.8930
476 F6P 0.8929
477 1XS 0.8929
478 MPP 0.8928
479 B21 0.8925
480 K3D 0.8924
481 2FY 0.8923
482 9ZE 0.8923
483 SOJ 0.8923
484 4TB 0.8923
485 14N 0.8922
486 428 0.8921
487 ONZ 0.8920
488 492 0.8920
489 AM4 0.8920
490 4NZ 0.8920
491 TOH 0.8920
492 8EU 0.8919
493 HNL 0.8919
494 F4K 0.8917
495 F06 0.8917
496 2C2 0.8917
497 7O4 0.8915
498 SSC 0.8914
499 Q9P 0.8913
500 8Y7 0.8913
501 TCA 0.8913
502 BXS 0.8912
503 S0E 0.8911
504 5JT 0.8910
505 PRL 0.8910
506 4AB 0.8909
507 LIG 0.8909
508 FCD 0.8908
509 C0W 0.8907
510 K7H 0.8907
511 HHH 0.8907
512 3H2 0.8906
513 TXW 0.8906
514 A7N 0.8905
515 PTB 0.8904
516 3NY 0.8904
517 JF5 0.8903
518 SWX 0.8903
519 0LO 0.8903
520 7AP 0.8902
521 HA5 0.8901
522 EOL 0.8900
523 A6P 0.8900
524 6KT 0.8900
525 4R1 0.8899
526 LL2 0.8899
527 HJH 0.8898
528 DUR 0.8897
529 1HR 0.8896
530 EQA 0.8896
531 JYK 0.8896
532 3W3 0.8895
533 3W6 0.8895
534 J38 0.8895
535 A18 0.8894
536 3L1 0.8894
537 ABF 0.8894
538 J0Z 0.8893
539 7MW 0.8893
540 57O 0.8893
541 H4B 0.8892
542 9R5 0.8892
543 V1T 0.8892
544 4Z3 0.8891
545 2ZM 0.8891
546 S8G 0.8890
547 K82 0.8889
548 4AV 0.8889
549 3GV 0.8889
550 MDR 0.8887
551 H7S 0.8887
552 HMZ 0.8887
553 28A 0.8887
554 FK8 0.8886
555 0F3 0.8886
556 4BL 0.8886
557 42J 0.8886
558 5OB 0.8884
559 50C 0.8884
560 RES 0.8883
561 ET0 0.8883
562 7Q1 0.8883
563 AOY 0.8883
564 8ZE 0.8880
565 E79 0.8880
566 2L2 0.8880
567 EV3 0.8880
568 ARG 0.8880
569 BZ3 0.8879
570 PQZ 0.8878
571 MAJ 0.8878
572 JA5 0.8875
573 HJ7 0.8874
574 XFE 0.8874
575 0ON 0.8874
576 EZL 0.8873
577 KLV 0.8872
578 ICB 0.8871
579 IS2 0.8870
580 5TY 0.8870
581 5DL 0.8869
582 5VL 0.8869
583 1BW 0.8867
584 5XC 0.8867
585 BIK 0.8866
586 N9J 0.8864
587 3ZB 0.8864
588 9W5 0.8863
589 YZM 0.8863
590 B5A 0.8863
591 7ZC 0.8863
592 5DS 0.8863
593 536 0.8863
594 S0A 0.8863
595 P7Y 0.8863
596 A6H 0.8863
597 L99 0.8862
598 PMM 0.8862
599 22L 0.8862
600 2QC 0.8862
601 JP2 0.8862
602 QMR 0.8862
603 LO1 0.8861
604 OOG 0.8860
605 DXG 0.8859
606 EGV 0.8858
607 GJG 0.8858
608 0OL 0.8858
609 AZM 0.8857
610 MBP 0.8856
611 Y4L 0.8856
612 OQC 0.8856
613 TNX 0.8855
614 FNA 0.8855
615 5M2 0.8854
616 LR5 0.8854
617 B15 0.8854
618 TA6 0.8853
619 1QV 0.8853
620 790 0.8852
621 6FZ 0.8852
622 CXH 0.8851
623 NPS 0.8851
624 33S 0.8850
625 LJ4 0.8850
626 E7S 0.8850
627 A51 0.8850
628 CIR 0.8849
629 6NI 0.8849
630 KDG 0.8848
631 R9J 0.8848
632 M01 0.8848
633 5C1 0.8847
634 E3X 0.8847
635 4G2 0.8847
636 H2B 0.8846
637 ISA 0.8846
638 AJ1 0.8846
639 CLU 0.8846
640 7ZL 0.8845
641 8D6 0.8845
642 8NB 0.8845
643 BZJ 0.8844
644 M4N 0.8844
645 XDK 0.8844
646 D1Y 0.8843
647 CUH 0.8843
648 2C0 0.8843
649 5H6 0.8843
650 AHN 0.8842
651 8RK 0.8842
652 BGP 0.8842
653 1BN 0.8841
654 ESX 0.8841
655 M28 0.8841
656 3QV 0.8840
657 531 0.8838
658 4EU 0.8838
659 2K8 0.8836
660 1Q4 0.8835
661 E9S 0.8834
662 EYM 0.8833
663 N4E 0.8833
664 PO6 0.8832
665 4VY 0.8832
666 5PV 0.8832
667 EYA 0.8830
668 JF2 0.8830
669 3Y7 0.8829
670 5GV 0.8829
671 MES 0.8829
672 ESP 0.8829
673 0JD 0.8828
674 EVO 0.8828
675 FY8 0.8827
676 8CC 0.8827
677 XRX 0.8827
678 A5E 0.8827
679 GDL 0.8826
680 JAW 0.8826
681 ZZU 0.8824
682 GC2 0.8824
683 C0V 0.8824
684 BPY 0.8824
685 BIO 0.8823
686 CWD 0.8823
687 WCU 0.8823
688 Q5M 0.8823
689 NY4 0.8822
690 PPY 0.8819
691 28S 0.8819
692 HNK 0.8819
693 1KN 0.8819
694 5NI 0.8819
695 4WF 0.8819
696 JHY 0.8818
697 54X 0.8818
698 NWD 0.8818
699 0K7 0.8818
700 JXQ 0.8817
701 RKV 0.8817
702 ZSP 0.8817
703 MUX 0.8815
704 15N 0.8815
705 PH2 0.8815
706 ENG 0.8814
707 AES 0.8814
708 E1P 0.8812
709 AVA 0.8812
710 GVA 0.8812
711 49P 0.8811
712 DCZ 0.8810
713 6L6 0.8810
714 ZZZ 0.8810
715 JRB 0.8810
716 0HO 0.8809
717 E4P 0.8809
718 AN3 0.8807
719 6VD 0.8806
720 0A9 0.8806
721 N9M 0.8806
722 7N8 0.8805
723 E1T 0.8805
724 B4O 0.8805
725 DCN 0.8804
726 M6H 0.8804
727 5RP 0.8803
728 3AE 0.8803
729 VFG 0.8803
730 NLQ 0.8802
731 PNZ 0.8802
732 5LA 0.8802
733 M1Z 0.8801
734 SX2 0.8801
735 GA2 0.8800
736 3A9 0.8800
737 KP2 0.8800
738 4CF 0.8799
739 22T 0.8799
740 FBF 0.8797
741 TJM 0.8797
742 TZP 0.8797
743 3VR 0.8795
744 4MP 0.8795
745 ZYV 0.8794
746 IWT 0.8794
747 GXD 0.8793
748 4LW 0.8793
749 BWD 0.8792
750 PXP 0.8791
751 9B3 0.8791
752 KDV 0.8791
753 L07 0.8790
754 S7A 0.8788
755 ODO 0.8788
756 CG 0.8786
757 PHI 0.8785
758 BZ2 0.8785
759 TL5 0.8785
760 9FH 0.8784
761 X6P 0.8783
762 D1G 0.8783
763 HBO 0.8782
764 ABI 0.8782
765 IPO 0.8781
766 56D 0.8781
767 MKN 0.8780
768 HHR 0.8780
769 PA5 0.8780
770 IQ5 0.8779
771 3W8 0.8778
772 PSJ 0.8778
773 AEF 0.8778
774 8GK 0.8777
775 AUV 0.8777
776 MZM 0.8776
777 CDY 0.8775
778 C0H 0.8775
779 3XR 0.8774
780 GJP 0.8774
781 P7V 0.8772
782 8OB 0.8772
783 5WU 0.8772
784 0GA 0.8771
785 NFA 0.8771
786 7FU 0.8771
787 PD2 0.8771
788 NEU 0.8770
789 HFA 0.8770
790 IWD 0.8769
791 HHS 0.8769
792 LP8 0.8768
793 3NM 0.8768
794 GGB 0.8767
795 JB8 0.8767
796 2LW 0.8766
797 VXX 0.8766
798 BVA 0.8766
799 RP5 0.8766
800 R4E 0.8765
801 ITE 0.8764
802 FUD 0.8764
803 API 0.8761
804 NOK 0.8760
805 DRG 0.8760
806 HVE 0.8759
807 1A5 0.8759
808 K80 0.8758
809 DI6 0.8757
810 P2L 0.8757
811 JDN 0.8756
812 STT 0.8755
813 NPX 0.8754
814 68A 0.8754
815 1M2 0.8754
816 0DN 0.8753
817 GNW 0.8752
818 A4V 0.8751
819 0FK 0.8750
820 X6W 0.8749
821 7R4 0.8746
822 VFM 0.8746
823 XRS 0.8745
824 15E 0.8743
825 2SX 0.8743
826 N0Z 0.8741
827 JY2 0.8740
828 7I2 0.8740
829 L03 0.8739
830 BGU 0.8739
831 RYV 0.8739
832 2UZ 0.8738
833 JXZ 0.8737
834 A98 0.8737
835 S60 0.8737
836 LQ2 0.8737
837 GOE 0.8736
838 4UM 0.8736
839 FQX 0.8735
840 S7J 0.8735
841 0OY 0.8735
842 KYA 0.8733
843 I59 0.8733
844 92O 0.8733
845 CH9 0.8733
846 37E 0.8732
847 BHS 0.8732
848 1HN 0.8732
849 MMJ 0.8732
850 264 0.8732
851 AVO 0.8731
852 UNJ 0.8731
853 28N 0.8731
854 D25 0.8731
855 THM 0.8730
856 0OP 0.8730
857 REL 0.8729
858 PF1 0.8728
859 7VP 0.8728
860 R20 0.8728
861 HNM 0.8727
862 3CR 0.8727
863 G1P 0.8726
864 ZYQ 0.8724
865 27B 0.8724
866 5S9 0.8724
867 TYL 0.8724
868 94W 0.8723
869 4V2 0.8723
870 NMM 0.8723
871 HL6 0.8722
872 NDD 0.8722
873 A3M 0.8722
874 JA3 0.8721
875 JXW 0.8719
876 MPU 0.8719
877 F91 0.8719
878 5WZ 0.8718
879 DVQ 0.8718
880 3W1 0.8717
881 XIZ 0.8717
882 KWH 0.8716
883 4NM 0.8716
884 8WT 0.8715
885 JXT 0.8715
886 36E 0.8715
887 JGB 0.8715
888 OTR 0.8714
889 ERZ 0.8714
890 PJL 0.8713
891 UA5 0.8713
892 TU0 0.8713
893 PDC 0.8712
894 3YP 0.8711
895 JND 0.8710
896 NQ7 0.8710
897 FMQ 0.8710
898 72D 0.8709
899 KU1 0.8708
900 NQH 0.8706
901 FB4 0.8706
902 M6P 0.8705
903 4RU 0.8704
904 KWQ 0.8704
905 Q06 0.8703
906 TQL 0.8703
907 1L5 0.8703
908 2HU 0.8702
909 11C 0.8702
910 5SJ 0.8702
911 GPM 0.8702
912 MSR 0.8702
913 3AD 0.8701
914 YI6 0.8701
915 2J5 0.8700
916 GCO 0.8700
917 YZ9 0.8700
918 258 0.8700
919 LOT 0.8699
920 YTX 0.8699
921 1SV 0.8697
922 L12 0.8697
923 THA 0.8697
924 EXD 0.8695
925 5TT 0.8695
926 GAE 0.8695
927 NGT 0.8695
928 A5K 0.8693
929 FYR 0.8693
930 1OS 0.8692
931 60L 0.8691
932 ONH 0.8691
933 86L 0.8690
934 3C5 0.8689
935 9FE 0.8688
936 TLG 0.8688
937 PZX 0.8687
938 5SP 0.8687
939 12T 0.8687
940 BY5 0.8687
941 327 0.8686
942 1YO 0.8686
943 CXP 0.8682
944 IFG 0.8681
945 1FD 0.8680
946 ST3 0.8679
947 RJY 0.8679
948 CMU 0.8679
949 CUQ 0.8679
950 QIF 0.8678
951 HX4 0.8678
952 F02 0.8677
953 NYL 0.8676
954 39Z 0.8676
955 BC3 0.8674
956 4GU 0.8674
957 W81 0.8674
958 5UD 0.8673
959 AX4 0.8673
960 H7Y 0.8673
961 E6Q 0.8673
962 4LV 0.8671
963 AX5 0.8670
964 CWJ 0.8670
965 HDH 0.8669
966 LYS 0.8666
967 TL6 0.8666
968 KCH 0.8665
969 FUZ 0.8665
970 5AE 0.8664
971 H48 0.8664
972 9KZ 0.8664
973 HIS 0.8664
974 4HB 0.8662
975 0F9 0.8661
976 AOT 0.8660
977 S7V 0.8660
978 DBS 0.8660
979 GF4 0.8659
980 8OE 0.8658
981 M3L 0.8653
982 SG2 0.8652
983 A8K 0.8651
984 XIF XYP 0.8651
985 XYP XIF 0.8651
986 7ZO 0.8651
987 RYY 0.8649
988 W8G 0.8649
989 F01 0.8648
990 6TZ 0.8648
991 3N0 0.8648
992 0J4 0.8648
993 EZ1 0.8647
994 ZYR 0.8646
995 XIY 0.8646
996 HPT 0.8645
997 Y0V 0.8644
998 DT7 0.8642
999 W23 0.8641
1000 CK2 0.8641
1001 4BZ 0.8640
1002 28B 0.8640
1003 CPZ 0.8640
1004 PE2 0.8638
1005 3AK 0.8638
1006 9FL 0.8638
1007 GLR 0.8637
1008 RLG 0.8637
1009 5WK 0.8637
1010 1Q1 0.8636
1011 RGP 0.8635
1012 SNR 0.8634
1013 BZE 0.8634
1014 ANN 0.8633
1015 ANC 0.8633
1016 5WS 0.8632
1017 2BG 0.8632
1018 P58 0.8631
1019 X0T 0.8631
1020 4JE 0.8631
1021 DNF 0.8631
1022 DIR 0.8630
1023 344 0.8630
1024 RP3 0.8630
1025 259 0.8628
1026 78P 0.8627
1027 F63 0.8627
1028 109 0.8627
1029 EDR 0.8625
1030 DE7 0.8624
1031 SDD 0.8624
1032 EE8 0.8623
1033 PQS 0.8622
1034 KTW 0.8621
1035 L15 0.8621
1036 SY4 0.8621
1037 4JQ 0.8621
1038 LT1 0.8621
1039 MS9 0.8619
1040 CTN 0.8618
1041 AD3 0.8618
1042 4NB 0.8618
1043 6ZW 0.8617
1044 M74 0.8616
1045 Q9T 0.8616
1046 X2M 0.8615
1047 IC9 0.8615
1048 AX3 0.8614
1049 C4F 0.8614
1050 BNF 0.8612
1051 B2E 0.8612
1052 DJN 0.8611
1053 D6G 0.8607
1054 TOM 0.8604
1055 4YO 0.8604
1056 TLE 0.8603
1057 268 0.8602
1058 W22 0.8602
1059 6QF 0.8600
1060 CNI 0.8598
1061 NHT 0.8597
1062 E5X 0.8597
1063 Z25 0.8594
1064 CUT 0.8593
1065 LPA 0.8592
1066 R1P 0.8591
1067 D4G 0.8591
1068 S8V 0.8591
1069 3LR 0.8590
1070 0LA 0.8588
1071 1OT 0.8587
1072 KW8 0.8586
1073 JGY 0.8586
1074 8MO 0.8585
1075 NPL 0.8585
1076 ALX 0.8580
1077 S0G 0.8576
1078 ANF 0.8571
1079 6DH 0.8571
1080 X1P 0.8570
1081 C09 0.8569
1082 BPN 0.8569
1083 8NX 0.8567
1084 2FD 0.8566
1085 F6R 0.8566
1086 54Z 0.8566
1087 L1O 0.8564
1088 DVK 0.8564
1089 ONR 0.8562
1090 GNM 0.8560
1091 9X3 0.8560
1092 0TU 0.8559
1093 BHQ 0.8558
1094 BBK 0.8555
1095 DMA 0.8554
1096 4FA 0.8552
1097 EPE 0.8551
1098 MQN 0.8550
1099 IPD 0.8550
1100 HQJ 0.8549
1101 NDG 0.8548
1102 URI 0.8547
1103 ZYX 0.8547
1104 E1K 0.8545
1105 NGA 0.8542
1106 D87 0.8541
1107 M2E 0.8534
1108 EFR 0.8519
1109 M4S 0.8518
1110 A7K 0.8513
1111 OGA 0.8511
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4E1N; Ligand: TQX; 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: 4e1n.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4E1N; Ligand: TQX; 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: 4e1n.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
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