Receptor
PDB id Resolution Class Description Source Keywords
3VQ8 1.6 Å EC: 2.7.7.7 HIV-1 IN CORE DOMAIN IN COMPLEX WITH (3R)-3,4-DIHYDRO-2H-CHR YLMETHANOL HUMAN IMMUNODEFICIENCY VIRUS 1 RNASEH DNA BINDING DNA CLEAVAGE DNA INTEGRATION TRANSFERTRANSFERASE INHIBITOR COMPLEX
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
SO4 A:1005;
A:1004;
B:304;
B:305;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
CL A:1003;
B:303;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
BCU B:306;
A:1006;
 Valid;
Valid;
 none;
none;
 submit data
164.201 C10 H12 O2 c1ccc...
CD A:1002;
B:302;
A:1001;
B:301;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
112.411 Cd [Cd+2...
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: BCU; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BCU 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: BCU; Similar ligands found: 1125
No: Ligand Similarity coefficient
1 N2I 0.9894
2 5OB 0.9891
3 5XC 0.9877
4 8ZE 0.9871
5 2BG 0.9824
6 1F1 0.9813
7 BZ3 0.9805
8 15N 0.9787
9 XIY 0.9746
10 6NI 0.9732
11 94W 0.9729
12 0JD 0.9728
13 JAW 0.9727
14 MR1 0.9721
15 3NY 0.9718
16 1M2 0.9711
17 2ZM 0.9703
18 0HN 0.9696
19 6NT 0.9692
20 0HO 0.9679
21 CWJ 0.9673
22 KJU 0.9671
23 9R5 0.9658
24 3A9 0.9647
25 5NI 0.9629
26 PNZ 0.9628
27 I3A 0.9624
28 H42 0.9622
29 4JQ 0.9621
30 9ZE 0.9613
31 ANN 0.9612
32 1P8 0.9611
33 JDN 0.9605
34 JB8 0.9597
35 ESP 0.9597
36 J6W 0.9589
37 TSS 0.9582
38 4YO 0.9564
39 0LH 0.9557
40 2AQ 0.9557
41 03V 0.9551
42 BZJ 0.9551
43 KDV 0.9548
44 OCH 0.9546
45 6VD 0.9546
46 COU 0.9543
47 SRO 0.9542
48 92P 0.9537
49 ABI 0.9537
50 ES5 0.9536
51 BPN 0.9535
52 4FS 0.9532
53 8WT 0.9531
54 IAC 0.9527
55 8WO 0.9524
56 E5X 0.9522
57 9FL 0.9519
58 4HC 0.9511
59 HA5 0.9510
60 6FZ 0.9508
61 GJP 0.9497
62 ICO 0.9495
63 R9Y 0.9485
64 717 0.9484
65 ES2 0.9480
66 A7H 0.9480
67 4RU 0.9472
68 ICB 0.9470
69 PH2 0.9470
70 0P6 0.9466
71 4JT 0.9464
72 5GU 0.9460
73 RM1 0.9457
74 TTL 0.9456
75 M1Q 0.9452
76 GOJ 0.9450
77 27B 0.9450
78 SLS 0.9449
79 LDP 0.9448
80 0FN 0.9446
81 NIZ 0.9446
82 E1T 0.9446
83 M0Q 0.9444
84 OVM 0.9443
85 CTL 0.9442
86 HQJ 0.9438
87 BHO 0.9436
88 3PF 0.9436
89 97T 0.9435
90 J9W 0.9433
91 MXN 0.9424
92 MS9 0.9423
93 5RN 0.9420
94 FA0 0.9419
95 CFI 0.9417
96 4P5 0.9416
97 7VS 0.9412
98 0FK 0.9412
99 OW4 0.9407
100 URC 0.9404
101 TGX 0.9400
102 ISZ 0.9398
103 4HM 0.9398
104 E7S 0.9398
105 MQN 0.9395
106 0TU 0.9395
107 NDH 0.9394
108 1L5 0.9394
109 259 0.9392
110 M0W 0.9391
111 NPO 0.9391
112 TT4 0.9390
113 PHB 0.9388
114 5QY 0.9386
115 KUF 0.9385
116 4TU 0.9385
117 TYL 0.9384
118 2EC 0.9382
119 BZX 0.9381
120 4M0 0.9380
121 9FE 0.9380
122 OVP 0.9379
123 J9Q 0.9377
124 PBA 0.9376
125 F9Y 0.9375
126 RMN 0.9374
127 XM0 0.9373
128 SNO 0.9373
129 1A7 0.9369
130 MAJ 0.9369
131 8OZ 0.9367
132 N8Y 0.9367
133 ODO 0.9365
134 EUG 0.9363
135 0F9 0.9363
136 RNO 0.9362
137 173 0.9361
138 4NM 0.9360
139 5RO 0.9360
140 M1E 0.9357
141 2HQ 0.9354
142 A09 0.9351
143 QX4 0.9350
144 15E 0.9349
145 KYA 0.9349
146 4FA 0.9345
147 JB5 0.9344
148 OIA 0.9344
149 PPY 0.9344
150 KOJ 0.9343
151 DOB 0.9343
152 PDC 0.9343
153 M4E 0.9342
154 A29 0.9342
155 PAB 0.9341
156 HHR 0.9339
157 OW7 0.9338
158 4MA 0.9338
159 5QX 0.9337
160 TH7 0.9334
161 IWT 0.9334
162 INO 0.9333
163 8W9 0.9328
164 2HU 0.9327
165 FUD 0.9326
166 DQU 0.9325
167 BHA 0.9324
168 F9P 0.9320
169 MEW 0.9320
170 HMH 0.9319
171 7W1 0.9318
172 2HO 0.9318
173 92K 0.9317
174 2C2 0.9316
175 3R6 0.9316
176 FBB 0.9316
177 K2T 0.9315
178 4AA 0.9315
179 SKA 0.9315
180 HQD 0.9314
181 M2K 0.9313
182 5CU 0.9313
183 DE5 0.9312
184 5WV 0.9312
185 PRF 0.9308
186 PHE 0.9305
187 SYG 0.9305
188 PQ0 0.9305
189 C2Y 0.9303
190 4BZ 0.9303
191 B62 0.9301
192 OVV 0.9301
193 3Z8 0.9300
194 CLW 0.9299
195 CWS 0.9297
196 PBZ 0.9297
197 3DM 0.9291
198 11S 0.9291
199 MRW 0.9289
200 LNR 0.9288
201 LT2 0.9286
202 ET2 0.9284
203 Q24 0.9283
204 EDR 0.9282
205 ES9 0.9282
206 DIN 0.9282
207 HX4 0.9278
208 G3E 0.9276
209 1P7 0.9276
210 D48 0.9276
211 SYV 0.9276
212 PD2 0.9276
213 FBM 0.9275
214 54G 0.9275
215 BGC 0.9274
216 SMN 0.9274
217 FK1 0.9273
218 8TX 0.9273
219 4NC 0.9267
220 SHA 0.9265
221 OTR 0.9264
222 OHP 0.9262
223 GAB 0.9260
224 VGD 0.9260
225 14O 0.9258
226 2O6 0.9255
227 3YP 0.9253
228 JXZ 0.9253
229 GLC 0.9253
230 DHB 0.9253
231 LCN 0.9252
232 ABV 0.9252
233 HQT 0.9251
234 F60 0.9250
235 HDH 0.9248
236 NOJ 0.9248
237 HBD 0.9248
238 61M 0.9247
239 UFO 0.9247
240 9DG 0.9247
241 J9N 0.9246
242 36R 0.9245
243 P72 0.9243
244 9CA 0.9241
245 6M4 0.9240
246 PXL 0.9239
247 F31 0.9239
248 3MB 0.9239
249 J9T 0.9239
250 86J 0.9238
251 93K 0.9237
252 ASO 0.9235
253 2FY 0.9234
254 F4E 0.9234
255 5H1 0.9233
256 YRL 0.9231
257 AC6 0.9231
258 SN4 0.9230
259 MYJ 0.9230
260 NYL 0.9229
261 8XL 0.9228
262 GTQ 0.9228
263 PJW 0.9228
264 0W8 0.9227
265 FBV 0.9227
266 AEF 0.9226
267 30G 0.9225
268 44V 0.9225
269 1Y6 0.9224
270 36M 0.9222
271 S24 0.9221
272 12Q 0.9220
273 PZM 0.9219
274 1HN 0.9218
275 PAC 0.9215
276 Q88 0.9215
277 PHU 0.9215
278 L5V 0.9214
279 XAN 0.9213
280 L99 0.9212
281 E7Z 0.9212
282 DNF 0.9212
283 FEH 0.9211
284 DHY 0.9211
285 W81 0.9210
286 2HC 0.9209
287 ISN 0.9208
288 5MB 0.9207
289 SE2 0.9205
290 7W4 0.9205
291 NVU 0.9202
292 AX7 0.9202
293 5MI 0.9201
294 9RH 0.9201
295 XQ0 0.9201
296 6AI 0.9200
297 UAN 0.9200
298 AZ8 0.9199
299 FCR 0.9199
300 A7W 0.9198
301 H4N 0.9197
302 GUN 0.9197
303 VK3 0.9196
304 52C 0.9196
305 I1E 0.9193
306 KJH 0.9193
307 2LY 0.9191
308 KKN 0.9191
309 8NY 0.9189
310 V55 0.9188
311 5B1 0.9187
312 M5K 0.9185
313 5VM 0.9184
314 EN1 0.9183
315 M1H 0.9181
316 GZL 0.9181
317 PIM 0.9181
318 PRZ 0.9179
319 HIS 0.9179
320 3BZ 0.9178
321 6ME 0.9177
322 AJ2 0.9176
323 069 0.9175
324 AQO 0.9173
325 R20 0.9173
326 6RQ 0.9173
327 1IT 0.9172
328 268 0.9170
329 51R 0.9170
330 3DO 0.9169
331 8CM 0.9169
332 P9P 0.9169
333 G3F 0.9168
334 5M0 0.9168
335 3HB 0.9167
336 XHP 0.9167
337 J5I 0.9166
338 AMH 0.9165
339 GRO 0.9164
340 YZM 0.9164
341 JTH 0.9164
342 ASC 0.9163
343 IOS 0.9162
344 5DI 0.9162
345 ES7 0.9162
346 CLZ 0.9162
347 8HC 0.9161
348 PE0 0.9159
349 VNL 0.9158
350 FYU 0.9156
351 261 0.9151
352 3M0 0.9151
353 0FO 0.9151
354 NCT 0.9150
355 CH9 0.9150
356 5NU 0.9148
357 4VY 0.9147
358 JAE 0.9147
359 NFM 0.9145
360 258 0.9144
361 MWP 0.9143
362 B57 0.9143
363 OA3 0.9142
364 BK9 0.9141
365 EA1 0.9139
366 AHR 0.9138
367 LZM 0.9138
368 IFL 0.9136
369 2LP 0.9136
370 CXP 0.9134
371 BNF 0.9134
372 327 0.9132
373 45L 0.9132
374 2FX 0.9132
375 PZI 0.9131
376 TXW 0.9130
377 QMP 0.9129
378 5RG 0.9129
379 NHG 0.9128
380 42A 0.9128
381 HBA 0.9128
382 DRL 0.9128
383 3OC 0.9127
384 PEA 0.9127
385 DBX 0.9125
386 42J 0.9125
387 BEA 0.9125
388 ZZZ 0.9124
389 XDE 0.9123
390 2KA 0.9122
391 GCS 0.9121
392 TSU 0.9121
393 P92 0.9121
394 PKU 0.9120
395 23J 0.9117
396 ZZT 0.9116
397 FB2 0.9115
398 9MG 0.9114
399 1DJ 0.9113
400 VXX 0.9112
401 Z5P 0.9112
402 2K4 0.9111
403 M6Z 0.9111
404 3HA 0.9109
405 GJZ 0.9108
406 44W 0.9108
407 MNN 0.9106
408 DBH 0.9106
409 EKZ 0.9105
410 TPA 0.9104
411 ONR 0.9104
412 XIZ 0.9103
413 FP1 0.9103
414 9TW 0.9103
415 HMU 0.9102
416 IV2 0.9102
417 826 0.9102
418 QWN 0.9101
419 4HP 0.9100
420 HX3 0.9100
421 EYV 0.9099
422 CSN 0.9099
423 A3M 0.9098
424 NGO 0.9098
425 MQB 0.9097
426 FB1 0.9097
427 X0V 0.9096
428 GT0 0.9095
429 1DW 0.9095
430 DEE 0.9094
431 XAZ 0.9094
432 APS 0.9093
433 NSP 0.9093
434 7HQ 0.9092
435 K5W 0.9091
436 KBG 0.9090
437 9TZ 0.9087
438 NOY 0.9085
439 7MX 0.9084
440 TSR 0.9082
441 HH5 0.9082
442 IPB 0.9081
443 DMD 0.9081
444 DHR 0.9080
445 UEG 0.9079
446 1LN 0.9078
447 PMB 0.9078
448 7ME 0.9078
449 8S0 0.9078
450 CWM 0.9078
451 JF2 0.9077
452 B09 0.9075
453 5MK 0.9075
454 GAL 0.9074
455 9BF 0.9074
456 53C 0.9074
457 IFP 0.9074
458 R2P 0.9073
459 F05 0.9073
460 Z13 0.9073
461 PO6 0.9071
462 HCI 0.9069
463 ARP 0.9068
464 F0J 0.9067
465 4ME 0.9066
466 JVN 0.9066
467 264 0.9065
468 DHC 0.9065
469 FBT 0.9064
470 270 0.9064
471 XXP 0.9063
472 TAG 0.9062
473 I3E 0.9062
474 TTY 0.9062
475 GCO 0.9061
476 3F0 0.9061
477 7MU 0.9058
478 PEY 0.9058
479 G2F 0.9057
480 4PN 0.9056
481 NAG 0.9056
482 XX3 0.9056
483 FDB 0.9056
484 SRT 0.9055
485 PIY 0.9055
486 RJY 0.9054
487 3NT 0.9054
488 MO8 0.9053
489 AHN 0.9052
490 GCU 0.9052
491 67N 0.9052
492 75K 0.9052
493 DEW 0.9051
494 NLA 0.9051
495 7VP 0.9051
496 2D0 0.9051
497 Q02 0.9050
498 BQ2 0.9048
499 BDP 0.9047
500 OTW 0.9047
501 2MI 0.9046
502 ZON 0.9045
503 LPK 0.9044
504 BMA 0.9043
505 JLZ 0.9042
506 1QP 0.9041
507 FK8 0.9040
508 M1A 0.9040
509 HSO 0.9039
510 57O 0.9038
511 SWA 0.9038
512 NNO 0.9038
513 4XR 0.9037
514 SAL 0.9036
515 OAA 0.9036
516 2CK 0.9035
517 PBN 0.9035
518 XBT 0.9035
519 IOP 0.9035
520 YH7 0.9035
521 2A9 0.9034
522 091 0.9034
523 P7Y 0.9032
524 6M9 0.9032
525 VNJ 0.9032
526 H4E 0.9031
527 GLL 0.9030
528 5NE 0.9030
529 3FH 0.9029
530 NMJ 0.9029
531 6CS 0.9029
532 AKG 0.9028
533 7B4 0.9027
534 HPP 0.9026
535 PEL 0.9026
536 1U6 0.9026
537 TLA 0.9025
538 Q6T 0.9025
539 4VP 0.9025
540 RNS 0.9024
541 E1P 0.9021
542 24B 0.9021
543 DS0 0.9020
544 ALE 0.9020
545 R9M 0.9019
546 7ZE 0.9018
547 GLO 0.9017
548 GXY 0.9017
549 4MU 0.9017
550 6AP 0.9017
551 5JQ 0.9016
552 LSA 0.9015
553 DGJ 0.9015
554 TIU 0.9015
555 AFR 0.9014
556 QY9 0.9014
557 SAN 0.9014
558 4CS 0.9014
559 DHS 0.9013
560 4Z4 0.9013
561 2FQ 0.9013
562 4AV 0.9012
563 82I 0.9012
564 QXW 0.9011
565 MVN 0.9011
566 AES 0.9011
567 3BU 0.9010
568 FA1 0.9010
569 ES0 0.9010
570 N2Z 0.9008
571 AHC 0.9007
572 AZA 0.9007
573 HL4 0.9007
574 AJV 0.9007
575 269 0.9006
576 9RW 0.9006
577 URO 0.9004
578 PRA 0.9004
579 KT7 0.9004
580 M3H 0.9003
581 3IT 0.9002
582 FHB 0.9002
583 0BP 0.9002
584 AOS 0.9000
585 NGW 0.9000
586 NGT 0.9000
587 SOE 0.8999
588 M5H 0.8998
589 ALL 0.8997
590 LGC 0.8996
591 APG 0.8995
592 S8V 0.8995
593 0N7 0.8995
594 NQ 0.8995
595 RBJ 0.8994
596 YPN 0.8994
597 EVA 0.8994
598 AZ9 0.8993
599 7B3 0.8993
600 FIX 0.8992
601 EYK 0.8992
602 PPT 0.8990
603 FE DB1 0.8990
604 2F6 0.8989
605 5WZ 0.8987
606 CN0 0.8985
607 KW8 0.8985
608 FBJ 0.8984
609 LYL 0.8983
610 PRY 0.8983
611 SKM 0.8983
612 CTS 0.8982
613 SSC 0.8980
614 HY1 0.8980
615 SOR 0.8980
616 4SX 0.8978
617 DHK 0.8976
618 4XV 0.8976
619 2H5 0.8976
620 IFM 0.8975
621 MUA 0.8975
622 LKA 0.8974
623 24W 0.8973
624 B55 0.8973
625 SJ5 0.8972
626 AEH 0.8972
627 HLZ 0.8971
628 OMD 0.8970
629 HQ9 0.8970
630 P58 0.8970
631 293 0.8968
632 3ID 0.8968
633 4A3 0.8967
634 EMZ 0.8966
635 56D 0.8965
636 HHA 0.8964
637 EHM 0.8963
638 RAT 0.8962
639 GO8 0.8961
640 1XM 0.8961
641 5WU 0.8960
642 DBJ 0.8960
643 3XX 0.8960
644 263 0.8958
645 5WY 0.8958
646 NPY 0.8957
647 KJY 0.8957
648 XYL 0.8956
649 RB5 0.8956
650 KBB 0.8956
651 MNM 0.8956
652 795 0.8956
653 GSY 0.8953
654 XX2 0.8953
655 GVG 0.8953
656 C2B 0.8953
657 42C 0.8953
658 4XS 0.8952
659 PTU 0.8949
660 271 0.8949
661 RNT 0.8948
662 SD4 0.8948
663 R9S 0.8948
664 5JL 0.8948
665 FHC 0.8948
666 JZ4 0.8947
667 HHH 0.8947
668 QBK 0.8947
669 APZ 0.8947
670 CFA 0.8945
671 M58 0.8945
672 149 0.8944
673 2AK 0.8944
674 3HM 0.8944
675 ISD 0.8943
676 BE2 0.8943
677 BOA 0.8943
678 B60 0.8942
679 5VL 0.8942
680 BTY 0.8942
681 2FG 0.8942
682 AAS 0.8941
683 ZXD 0.8940
684 6PC 0.8940
685 GLA 0.8939
686 C9E 0.8938
687 I2E 0.8937
688 2ZQ 0.8937
689 QUZ 0.8936
690 3C4 0.8936
691 141 0.8936
692 4RW 0.8935
693 3AB 0.8935
694 BPW 0.8934
695 BSX 0.8934
696 PA1 0.8934
697 TWO 0.8934
698 GCB 0.8933
699 AKH 0.8933
700 PFL 0.8933
701 TYR 0.8933
702 40F 0.8932
703 3U4 0.8932
704 A2F 0.8932
705 DX3 0.8931
706 3SL 0.8930
707 EGR 0.8929
708 S2P 0.8928
709 1LQ 0.8928
710 4J8 0.8926
711 SW7 0.8926
712 1PT 0.8925
713 JJQ 0.8924
714 RHU 0.8924
715 ZZ2 0.8923
716 QMS 0.8922
717 C53 0.8921
718 XQI 0.8921
719 XCZ 0.8920
720 5FN 0.8919
721 4FH 0.8919
722 YTX 0.8918
723 8G0 0.8918
724 5XB 0.8917
725 4JL 0.8917
726 CXF 0.8913
727 XQG 0.8911
728 RXA 0.8910
729 NOK 0.8908
730 FBS 0.8908
731 T9G 0.8905
732 SEP 0.8904
733 FRU 0.8903
734 IGA 0.8903
735 DPN 0.8901
736 DIE 0.8901
737 SHI 0.8900
738 ES6 0.8899
739 6DP 0.8899
740 SAF 0.8897
741 5WX 0.8896
742 PEP 0.8896
743 N4B 0.8895
744 2AL 0.8892
745 IDM 0.8892
746 1SV 0.8890
747 H7Y 0.8889
748 X0W 0.8889
749 PFB 0.8888
750 JFJ 0.8888
751 WCE 0.8886
752 IF7 0.8885
753 RBL 0.8884
754 GLT 0.8884
755 GLN 0.8884
756 0OC 0.8883
757 7MK 0.8881
758 3CU 0.8881
759 HF2 0.8880
760 E35 0.8880
761 DHQ 0.8880
762 2AS 0.8880
763 GTR 0.8876
764 HDL 0.8875
765 MLT 0.8875
766 BEN 0.8875
767 Q71 0.8875
768 F69 0.8875
769 GAF 0.8874
770 2BX 0.8874
771 0CU 0.8874
772 NCA 0.8873
773 MAQ 0.8873
774 6N4 0.8871
775 K82 0.8871
776 ROI 0.8870
777 B53 0.8870
778 TZL 0.8869
779 ZBT 0.8869
780 BAM 0.8869
781 DMJ 0.8868
782 1KP 0.8868
783 TAR 0.8868
784 KTA 0.8865
785 NID 0.8865
786 AEG 0.8864
787 B5D 0.8864
788 3HP 0.8864
789 AZG 0.8863
790 0RW 0.8862
791 FBA 0.8862
792 SX1 0.8862
793 2GS 0.8861
794 EV0 0.8860
795 ENO 0.8860
796 3WA 0.8859
797 2HG 0.8858
798 DX4 0.8858
799 HIO 0.8857
800 SDD 0.8856
801 X05 0.8855
802 ADZ 0.8855
803 86L 0.8854
804 GC3 0.8853
805 EOL 0.8853
806 HHT 0.8853
807 SXS 0.8853
808 XEN 0.8853
809 A7N 0.8852
810 CS2 0.8850
811 SR1 0.8850
812 8GK 0.8848
813 BEZ 0.8848
814 GXL 0.8848
815 NIO 0.8846
816 B40 0.8845
817 DFB 0.8844
818 SHG 0.8842
819 ORO 0.8842
820 URQ 0.8842
821 3AL 0.8841
822 N9J 0.8841
823 VOH 0.8840
824 ADA 0.8838
825 NCD 0.8838
826 LSQ 0.8837
827 PXM 0.8837
828 94B 0.8837
829 NPA 0.8837
830 JA8 0.8834
831 AMS 0.8833
832 KMT 0.8833
833 SBK 0.8831
834 329 0.8831
835 XUL 0.8831
836 1SQ 0.8831
837 KP6 0.8831
838 2CL 0.8831
839 JKE 0.8831
840 GZQ 0.8829
841 NBZ 0.8829
842 PH3 0.8828
843 SVN 0.8826
844 6F0 0.8826
845 CIT 0.8825
846 1GN 0.8824
847 J0Z 0.8823
848 9UL 0.8823
849 B0D 0.8822
850 X6X 0.8822
851 A13 0.8822
852 UNU 0.8820
853 FBW 0.8819
854 B3U 0.8818
855 7N0 0.8816
856 2XX 0.8816
857 S7A 0.8815
858 B85 0.8815
859 PBC 0.8815
860 XYP 0.8815
861 PYQ 0.8814
862 RSO 0.8813
863 XDK 0.8813
864 AZF 0.8812
865 AL0 0.8812
866 290 0.8812
867 IJZ 0.8812
868 2SX 0.8811
869 MNP 0.8811
870 GWM 0.8810
871 PZA 0.8810
872 2PG 0.8809
873 QDK 0.8808
874 XLS 0.8808
875 GYP 0.8806
876 ROR 0.8806
877 4M4 0.8805
878 4SV 0.8804
879 K6H 0.8802
880 PCS 0.8802
881 HYA 0.8800
882 HXX 0.8799
883 3QM 0.8798
884 GLU 0.8798
885 L3Q 0.8797
886 DIG 0.8797
887 PUE 0.8797
888 H62 0.8796
889 948 0.8796
890 LT1 0.8795
891 SOL 0.8794
892 UY7 0.8793
893 BNT 0.8792
894 N5J 0.8791
895 9PY 0.8790
896 1NP 0.8789
897 M3Q 0.8788
898 8U3 0.8788
899 5SG 0.8787
900 1WC 0.8787
901 9EW 0.8785
902 JBH 0.8785
903 GLF 0.8785
904 1AL 0.8785
905 CEE 0.8785
906 NSG 0.8784
907 GNL 0.8784
908 NFA 0.8784
909 3SK 0.8784
910 GDL 0.8784
911 EPR 0.8783
912 NDG 0.8783
913 GC2 0.8782
914 X09 0.8781
915 UNC 0.8780
916 NTN 0.8777
917 4YS 0.8776
918 WOO 0.8776
919 FA3 0.8776
920 Q7A 0.8775
921 ES1 0.8774
922 BDF 0.8773
923 HQY 0.8772
924 DHI 0.8772
925 BRT 0.8772
926 YCP 0.8772
927 9KH 0.8771
928 2L3 0.8771
929 EV3 0.8770
930 5IQ 0.8770
931 SS1 0.8769
932 FOT 0.8769
933 K7M 0.8768
934 JRB 0.8767
935 GIV 0.8767
936 1SS 0.8767
937 MMA 0.8766
938 5Q0 0.8765
939 505 0.8765
940 3MG 0.8765
941 ARB 0.8765
942 FLC 0.8763
943 4NG 0.8763
944 DQA 0.8763
945 9VZ 0.8761
946 5HN 0.8758
947 JPZ 0.8757
948 QPR 0.8757
949 QUS 0.8756
950 MAN 0.8756
951 IT9 0.8756
952 DOR 0.8753
953 URS 0.8752
954 K4V 0.8752
955 LVD 0.8751
956 O72 0.8751
957 64K 0.8749
958 CFP 0.8748
959 TVP 0.8747
960 2CZ 0.8746
961 HLR 0.8745
962 LTM 0.8745
963 MP5 0.8745
964 R8V 0.8745
965 HFA 0.8745
966 REL 0.8744
967 R8S 0.8744
968 S8A 0.8744
969 EYJ 0.8743
970 2TQ 0.8742
971 QSC 0.8741
972 PMF 0.8741
973 G5V 0.8740
974 TNX 0.8740
975 FDK 0.8740
976 BNS 0.8739
977 HJP 0.8738
978 HPA 0.8737
979 TOF 0.8736
980 1LM 0.8732
981 QIC 0.8732
982 OTD 0.8731
983 5HY 0.8730
984 6Q3 0.8729
985 HHI 0.8729
986 JBK 0.8728
987 BM3 0.8727
988 PLP 0.8726
989 9LI 0.8724
990 TYE 0.8723
991 I4B 0.8722
992 1BN 0.8722
993 K3Q 0.8720
994 LYS 0.8720
995 FF3 0.8718
996 F1A 0.8717
997 AC0 0.8716
998 152 0.8716
999 MES 0.8715
1000 SYE 0.8714
1001 3N1 0.8713
1002 CUW 0.8710
1003 G4D 0.8710
1004 28N 0.8709
1005 4JM 0.8708
1006 3CR 0.8707
1007 IFG 0.8707
1008 FXH 0.8706
1009 HH8 0.8706
1010 MTL 0.8705
1011 M4T 0.8705
1012 MS0 0.8705
1013 JZ9 0.8704
1014 32X 0.8702
1015 OXZ 0.8702
1016 SYC 0.8701
1017 6M1 0.8701
1018 7A8 0.8700
1019 3XR 0.8700
1020 DJN 0.8699
1021 JF6 0.8699
1022 1SA 0.8699
1023 FH2 0.8698
1024 GYE 0.8697
1025 449 0.8696
1026 O2A 0.8695
1027 IPM 0.8693
1028 Q03 0.8692
1029 SSB 0.8692
1030 CLT 0.8691
1031 M6H 0.8690
1032 HPS 0.8689
1033 GRE 0.8689
1034 EYY 0.8688
1035 TZM 0.8688
1036 LMR 0.8688
1037 IP0 0.8687
1038 4XH 0.8686
1039 15L 0.8685
1040 ADE 0.8685
1041 ANU 0.8681
1042 D1X 0.8680
1043 F34 0.8679
1044 OKG 0.8679
1045 MT5 0.8677
1046 7FF 0.8677
1047 KDG 0.8675
1048 1WG 0.8669
1049 HNK 0.8668
1050 KPL 0.8668
1051 95Z 0.8668
1052 7WV 0.8667
1053 GOE 0.8667
1054 39U 0.8665
1055 KMH 0.8665
1056 P84 0.8663
1057 JZ7 0.8662
1058 KWH 0.8662
1059 FTV 0.8660
1060 1XA 0.8660
1061 F5C 0.8659
1062 JBE 0.8659
1063 1P3 0.8659
1064 DMV 0.8655
1065 E7R 0.8654
1066 DYA 0.8653
1067 ARW 0.8653
1068 MHK 0.8650
1069 C5A 0.8648
1070 N6C 0.8648
1071 X1P 0.8646
1072 E79 0.8646
1073 6HO 0.8645
1074 CIP 0.8645
1075 ASN 0.8644
1076 7VJ 0.8643
1077 RPQ 0.8638
1078 MEV 0.8638
1079 QMR 0.8637
1080 MIG 0.8636
1081 G3H 0.8632
1082 DEN 0.8631
1083 3RK 0.8630
1084 1WD 0.8629
1085 G3P 0.8622
1086 ASP 0.8618
1087 IND 0.8616
1088 HNL 0.8615
1089 GLY PRO 0.8614
1090 2FT 0.8610
1091 LNO 0.8608
1092 MUC 0.8608
1093 JZ1 0.8606
1094 AH8 0.8603
1095 JBQ 0.8600
1096 MAH 0.8594
1097 7D2 0.8591
1098 B2J 0.8591
1099 XXG 0.8589
1100 3RI 0.8588
1101 AMQ 0.8586
1102 R67 0.8585
1103 AW5 0.8583
1104 DGN 0.8575
1105 DTY 0.8572
1106 HWD 0.8570
1107 4A5 0.8569
1108 790 0.8569
1109 BZI 0.8567
1110 260 0.8567
1111 B41 0.8566
1112 GJS 0.8564
1113 RIB 0.8564
1114 MPI 0.8560
1115 ABE 0.8560
1116 LZ1 0.8559
1117 IT2 0.8557
1118 ICT 0.8550
1119 EQT 0.8550
1120 NK 0.8550
1121 GCV 0.8547
1122 BZF 0.8546
1123 6E8 0.8520
1124 C2A 0.8519
1125 55D 0.8513
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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