Receptor
PDB id Resolution Class Description Source Keywords
4CEO 1.9 Å EC: 2.7.7.- INTERROGATING HIV INTEGRASE FOR COMPOUNDS THAT BIND- A SAMPL CHALLENGE HUMAN IMMUNODEFICIENCY VIRUS 1 TRANSFERASE DNA INTEGRATION STRUCTURE BASED DRUG DESIGN RNA-DIRECTED DNA POLYMERASE
Ref.: INTERROGATING HIV INTEGRASE FOR COMPOUNDS THAT BIND SAMPL CHALLENGE. J.COMPUT.AIDED MOL.DES. V. 28 347 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:1212;
A:1210;
B:1210;
B:1211;
A:1212;
A:1211;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ACT A:1214;
B:1213;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
CL A:1213;
Invalid;
none;
submit data
35.453 Cl [Cl-]
G0T A:1215;
B:1214;
Valid;
Valid;
none;
none;
submit data
548.584 C30 H32 N2 O8 CN(Cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4E1N 2 Å EC: 2.7.7.- 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 (134)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 4CJU - JNS C16 H12 O4 c1ccc(cc1)....
2 4CEB Kd = 1080 uM ZSV C32 H35 N2 O8 COc1ccc(cc....
3 3AVG - ALA ASP LYS ILE ASP ASN LEU ASP n/a n/a
4 4CIE - Y7N C24 H26 N2 O5 c1ccc2c(c1....
5 4LH5 ic50 = 0.23 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
6 3NFA - CBJ C18 H12 Br N O6 c1cc2c(cc1....
7 3ZSZ - OM2 C22 H27 N2 O5 CC[C@H](C)....
8 4DMN ic50 = 2.3 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
9 3L3V - SUC C12 H22 O11 C([C@@H]1[....
10 4CJL - 9PA C20 H30 N2 O5 CC(C)C[C@@....
11 3AVA ic50 = 39.7 uM ALA LEU LYS ILE ASP ASN LEU ASP n/a n/a
12 4CF0 - O5U C28 H34 N2 O7 c1ccc2c(c1....
13 4AHT - Q6T C8 H6 O4 c1cc(c2c(c....
14 4O5B - LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
15 4CER - VL4 C27 H32 N2 O7 CN(Cc1cccc....
16 4CFA - WOP C26 H25 N3 O6 CN(Cc1ccc2....
17 4CJT - HLR C7 H6 N2 O c1ccc2c(c1....
18 4CJ3 - E4F C23 H26 N2 O5 c1ccc2c(c1....
19 4CGF - UJ6 C17 H13 N O5 c1ccc2c(c1....
20 4CJF - RVN C17 H11 N O5 c1ccc2c(c1....
21 5KGW - 7SK C24 H27 N O4 CC(C)(C)O[....
22 3ZSW - ZSW C28 H35 N2 O7 CC[C@@H](C....
23 4O55 ic50 = 5 uM LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
24 4E1N ic50 = 19 nM TQX C26 H28 F N O4 Cc1c(cc(c2....
25 4CEO - G0T C30 H32 N2 O8 CN(Cc1cccc....
26 3NF7 ic50 = 340 uM CIW C17 H12 Cl N O5 c1cc2c(cc1....
27 3AO2 Kd = 0.17 mM AVX C11 H10 Br N3 O2 Cn1c(cc(n1....
28 3ZT4 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
29 4OVL - 1TD C16 H11 N O3 c1ccc2c(c1....
30 5KRS - 6XI C9 H7 N O2 S c1ccn(c1)c....
31 3AVN - SER HIS LYS ILE ASP ASN LEU ASP n/a n/a
32 4CHY - C5Q C17 H13 N O4 c1ccc2c(c1....
33 3ZSR - O3N C31 H38 N2 O7 C=CCN(Cc1c....
34 4CGI Kd = 752 uM NZL C24 H28 N2 O5 c1ccc2c(c1....
35 3VQE - FMQ C11 H11 F N2 O Cc1c(cnn1c....
36 3AVI - SER LEU LYS ILE ASP ASN MET ASP n/a n/a
37 3VQP - DBJ C9 H10 O3 c1cc(c2c(c....
38 4CK2 - NVU C9 H7 N O3 c1ccc2c(c1....
39 4CJW - CBJ C18 H12 Br N O6 c1cc2c(cc1....
40 3VQ7 - SUC C12 H22 O11 C([C@@H]1[....
41 4CES - NFW C27 H28 N2 O8 CN(Cc1cccc....
42 4CF2 - 3GM C26 H30 N2 O7 c1ccc2c(c1....
43 3AVH - ALA ARG LYS ILE ASP ASN LEU ASP n/a n/a
44 3ZSX - N44 C27 H25 N2 O5 C=CCN(Cc1c....
45 3AVC - SER ASP LYS ILE ASP ASN LEU ASP n/a n/a
46 4O0J ic50 = 13 uM LF8 C27 H30 Cl N O3 Cc1ccc(cc1....
47 3AVM - SER ARG LYS ILE ASP ASN LEU ASP n/a n/a
48 4AHU - ICO C9 H7 N O2 c1ccc2c(c1....
49 5KRT - 6W6 C9 H5 Cl2 N O2 S c1cc(n(c1C....
50 3AVB ic50 = 85.2 uM SER LEU LYS ILE ASP ASN LEU ASP n/a n/a
51 4CJR Kd = 793 uM FYM C27 H28 N2 O7 CN(Cc1cccc....
52 4AHS - AKH C9 H6 O3 c1cc2ccoc2....
53 4CIF - JDX C26 H28 N2 O5 CN(Cc1cccc....
54 3VQ6 - BCK C11 H12 N2 O Cn1c(c(cn1....
55 3ZT0 Kd = 595 nM ZT0 C26 H27 N2 O6 C[NH+](Cc1....
56 3AO5 Kd = 5.9 mM BBY C11 H10 Br N3 O2 Cn1c(cc(n1....
57 4NYF Kd = 49 nM 4BI C22 H22 Cl N O3 Cc1c(c(c2c....
58 4CK3 Kd = 268 uM K1T C19 H28 N2 O5 CC(C)C[C@@....
59 4CEE - B0T C26 H32 N2 O7 CC[C@H](C)....
60 4AH9 - 0MB C13 H16 N4 S c1ccc(cc1)....
61 4TSX Kd = 10.3 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
62 4CJQ Kd = 256 uM VXO C25 H28 N2 O5 CC(C)C[C@@....
63 1HYZ ic50 = 380 uM TTO C24 H20 As O2 c1ccc(cc1)....
64 4CF1 - IY7 C27 H32 N2 O7 c1ccc2c(c1....
65 4CE9 - O3N C31 H38 N2 O7 C=CCN(Cc1c....
66 3AO4 Kd = 8.5 mM 833 C11 H11 N3 O2 Cn1c(cc(n1....
67 3ZT2 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
68 4CFB - OM3 C25 H31 N2 O5 C[N@H+](Cc....
69 3VQD - MOK C11 H9 N O3 Cc1c(c(no1....
70 4CHP - IMV C17 H13 N O5 c1ccc2c(c1....
71 3ZT1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
72 3VQ9 - FBB C7 H5 F N2 S c1cc2c(cc1....
73 3VQC - MPK C11 H11 N O2 Cc1c(c(no1....
74 3ZSV - ZSV C32 H35 N2 O8 COc1ccc(cc....
75 4CJP - 4D2 C21 H24 N2 O5 CC(C)C[C@@....
76 4CGG - K5Q C22 H19 N O7 c1ccc2c(c1....
77 4CFC - 7NV C23 H27 N3 O6 CCCCNC(=O)....
78 4CEF - D0T C29 H30 N2 O7 CN(Cc1cccc....
79 3AO1 Kd = 5.5 mM BZX C7 H6 O3 c1cc2c(cc1....
80 3ZT3 Kd = 1435 uM ZT4 C18 H14 O5 c1ccc2c(c1....
81 4CHO - U2Z C12 H15 N3 O Cc1cc(nn1c....
82 3NF9 ic50 = 290 uM CD9 C17 H12 Cl N O5 c1cc2c(cc1....
83 1HYV ic50 > 5 mM TTA C24 H20 As c1ccc(cc1)....
84 3ZSQ Kd = 10.9 uM O4N C31 H34 N2 O6 CCC[C@@H](....
85 4CGD - 8P3 C16 H13 N O3 c1ccc2c(c1....
86 4CF9 - 5EY C22 H20 O7 c1ccc2c(c1....
87 3AVK - SER LEU LYS ILE ASP ASN GLU ASP n/a n/a
88 4CEC - 2SS C29 H34 N2 O7 C=CCN(Cc1c....
89 4CHQ - CWU C18 H16 O5 c1ccc2c(c1....
90 5HRR - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
91 4CGJ - NZL C24 H28 N2 O5 c1ccc2c(c1....
92 3VQB - FBG C9 H7 F O4 c1c(cc(c2c....
93 4GVM ic50 = 1.49 uM LF2 C22 H21 Br Cl N O3 Cc1c(c(c2c....
94 3VQQ - BTE C6 H5 N3 S c1cc(c2c(c....
95 3AVJ - ALA LEU LYS ILE ASP ASN MET ASP n/a n/a
96 4CFD - S8Y C23 H27 N3 O6 CC(C)(C)NC....
97 4JLH ic50 = 15.6 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
98 4CJK - H39 C21 H26 N2 O5 CC(C)C[C@@....
99 4CF8 - V7H C28 H28 N2 O7 c1ccc(cc1)....
100 4CK1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
101 4CHN - ONZ C10 H9 N O5 c1cc(c2c(c....
102 4OJR - 2SQ C26 H28 F N O5 Cc1c(cc(c2....
103 4ID1 - LF0 C25 H27 N O4 Cc1c(c(c2c....
104 3VQ8 - BCU C10 H12 O2 c1ccc2c(c1....
105 3OVN Kd = 2.8 mM MPV C8 H9 N3 S Cn1c(cc(n1....
106 3VQ4 - 0NX C10 H9 N O2 c1ccc(cc1)....
107 4CHZ - H75 C13 H13 Br N2 O c1cc(ccc1N....
108 1QS4 ic50 = 2.3 uM 100 C12 H8 Cl N5 O2 c1cc2c(cc1....
109 4CIG Kd = 214 uM X0P C30 H30 N2 O5 CN(Cc1cccc....
110 5HRS - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
111 3AV9 ic50 = 435 uM SER ALA LYS ILE ASP ASN LEU ASP n/a n/a
112 4CED - 9NS C29 H30 N2 O8 C=CCN(Cc1c....
113 4CEZ - O3N C31 H38 N2 O7 C=CCN(Cc1c....
114 4AHR - I2E C10 H10 O4 c1cc2c(cc1....
115 3ZSO Kd = 7.6 uM O2N C35 H34 N2 O7 COc1ccc(cc....
116 5HRP - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
117 3AO3 - BMC C12 H10 N2 O4 Cn1c(cc(n1....
118 4CJ4 Kd = 432 uM S3G C21 H24 N2 O5 CC(C)C[C@@....
119 4CJS - L0Y C26 H32 N2 O5 CN(Cc1cccc....
120 3ZCM Kd = 519 uM PX3 C28 H28 N2 O6 COc1ccc(cc....
121 3NF6 ic50 = 295 uM IMV C17 H13 N O5 c1ccc2c(c1....
122 4CEA - ZSW C28 H35 N2 O7 CC[C@@H](C....
123 4CJE - Q31 C20 H25 N3 O5 CC(C)C[C@@....
124 4CJ5 Kd = 200 uM 4VW C22 H26 N2 O5 CC(C)C[C@@....
125 3AVL ic50 = 65.8 uM ALA THR LYS ILE ASP ASN LEU ASP n/a n/a
126 4CGH - LOZ C22 H24 N2 O5 c1ccc2c(c1....
127 3NF8 - CDQ C18 H14 Cl N O5 c1cc2c(cc1....
128 3VQA - MWP C8 H7 N O2 S c1cc2c(cc1....
129 4CJV - IV2 C8 H7 Cl N2 S Cc1c(ccc2c....
130 3AVF ic50 = 295 uM ASP LEU LYS ILE ASP ASN LEU ASP n/a n/a
131 3ZSY - OM3 C25 H31 N2 O5 C[N@H+](Cc....
132 4CEQ - QCH C29 H36 N2 O7 CN(Cc1cccc....
133 3VQ5 - MMJ C12 H14 N2 S Cc1c(sc(n1....
134 4AHV - Z5P C10 H11 N3 c1ccc(c(c1....
70% Homology Family (136)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4CJU - JNS C16 H12 O4 c1ccc(cc1)....
2 4CEB Kd = 1080 uM ZSV C32 H35 N2 O8 COc1ccc(cc....
3 3AVG - ALA ASP LYS ILE ASP ASN LEU ASP n/a n/a
4 4CIE - Y7N C24 H26 N2 O5 c1ccc2c(c1....
5 4LH5 ic50 = 0.23 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
6 3NFA - CBJ C18 H12 Br N O6 c1cc2c(cc1....
7 3ZSZ - OM2 C22 H27 N2 O5 CC[C@H](C)....
8 4DMN ic50 = 2.3 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
9 3L3V - SUC C12 H22 O11 C([C@@H]1[....
10 4CJL - 9PA C20 H30 N2 O5 CC(C)C[C@@....
11 3AVA ic50 = 39.7 uM ALA LEU LYS ILE ASP ASN LEU ASP n/a n/a
12 4CF0 - O5U C28 H34 N2 O7 c1ccc2c(c1....
13 4AHT - Q6T C8 H6 O4 c1cc(c2c(c....
14 4O5B - LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
15 4CER - VL4 C27 H32 N2 O7 CN(Cc1cccc....
16 4CFA - WOP C26 H25 N3 O6 CN(Cc1ccc2....
17 4CJT - HLR C7 H6 N2 O c1ccc2c(c1....
18 4CJ3 - E4F C23 H26 N2 O5 c1ccc2c(c1....
19 4CGF - UJ6 C17 H13 N O5 c1ccc2c(c1....
20 4CJF - RVN C17 H11 N O5 c1ccc2c(c1....
21 5KGW - 7SK C24 H27 N O4 CC(C)(C)O[....
22 3ZSW - ZSW C28 H35 N2 O7 CC[C@@H](C....
23 4O55 ic50 = 5 uM LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
24 4E1N ic50 = 19 nM TQX C26 H28 F N O4 Cc1c(cc(c2....
25 4CEO - G0T C30 H32 N2 O8 CN(Cc1cccc....
26 3NF7 ic50 = 340 uM CIW C17 H12 Cl N O5 c1cc2c(cc1....
27 3AO2 Kd = 0.17 mM AVX C11 H10 Br N3 O2 Cn1c(cc(n1....
28 3ZT4 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
29 4OVL - 1TD C16 H11 N O3 c1ccc2c(c1....
30 5KRS - 6XI C9 H7 N O2 S c1ccn(c1)c....
31 3AVN - SER HIS LYS ILE ASP ASN LEU ASP n/a n/a
32 4CHY - C5Q C17 H13 N O4 c1ccc2c(c1....
33 3ZSR - O3N C31 H38 N2 O7 C=CCN(Cc1c....
34 4CGI Kd = 752 uM NZL C24 H28 N2 O5 c1ccc2c(c1....
35 3VQE - FMQ C11 H11 F N2 O Cc1c(cnn1c....
36 3AVI - SER LEU LYS ILE ASP ASN MET ASP n/a n/a
37 3VQP - DBJ C9 H10 O3 c1cc(c2c(c....
38 4CK2 - NVU C9 H7 N O3 c1ccc2c(c1....
39 4CJW - CBJ C18 H12 Br N O6 c1cc2c(cc1....
40 3VQ7 - SUC C12 H22 O11 C([C@@H]1[....
41 4CES - NFW C27 H28 N2 O8 CN(Cc1cccc....
42 4CF2 - 3GM C26 H30 N2 O7 c1ccc2c(c1....
43 3AVH - ALA ARG LYS ILE ASP ASN LEU ASP n/a n/a
44 3ZSX - N44 C27 H25 N2 O5 C=CCN(Cc1c....
45 3AVC - SER ASP LYS ILE ASP ASN LEU ASP n/a n/a
46 4O0J ic50 = 13 uM LF8 C27 H30 Cl N O3 Cc1ccc(cc1....
47 3AVM - SER ARG LYS ILE ASP ASN LEU ASP n/a n/a
48 4AHU - ICO C9 H7 N O2 c1ccc2c(c1....
49 5KRT - 6W6 C9 H5 Cl2 N O2 S c1cc(n(c1C....
50 3AVB ic50 = 85.2 uM SER LEU LYS ILE ASP ASN LEU ASP n/a n/a
51 4CJR Kd = 793 uM FYM C27 H28 N2 O7 CN(Cc1cccc....
52 4AHS - AKH C9 H6 O3 c1cc2ccoc2....
53 4CIF - JDX C26 H28 N2 O5 CN(Cc1cccc....
54 3VQ6 - BCK C11 H12 N2 O Cn1c(c(cn1....
55 3ZT0 Kd = 595 nM ZT0 C26 H27 N2 O6 C[NH+](Cc1....
56 3AO5 Kd = 5.9 mM BBY C11 H10 Br N3 O2 Cn1c(cc(n1....
57 4NYF Kd = 49 nM 4BI C22 H22 Cl N O3 Cc1c(c(c2c....
58 4CK3 Kd = 268 uM K1T C19 H28 N2 O5 CC(C)C[C@@....
59 4CEE - B0T C26 H32 N2 O7 CC[C@H](C)....
60 4AH9 - 0MB C13 H16 N4 S c1ccc(cc1)....
61 4TSX Kd = 10.3 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
62 4CJQ Kd = 256 uM VXO C25 H28 N2 O5 CC(C)C[C@@....
63 1HYZ ic50 = 380 uM TTO C24 H20 As O2 c1ccc(cc1)....
64 4CF1 - IY7 C27 H32 N2 O7 c1ccc2c(c1....
65 4CE9 - O3N C31 H38 N2 O7 C=CCN(Cc1c....
66 3AO4 Kd = 8.5 mM 833 C11 H11 N3 O2 Cn1c(cc(n1....
67 3ZT2 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
68 4CFB - OM3 C25 H31 N2 O5 C[N@H+](Cc....
69 3VQD - MOK C11 H9 N O3 Cc1c(c(no1....
70 4CHP - IMV C17 H13 N O5 c1ccc2c(c1....
71 3ZT1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
72 3VQ9 - FBB C7 H5 F N2 S c1cc2c(cc1....
73 3VQC - MPK C11 H11 N O2 Cc1c(c(no1....
74 3ZSV - ZSV C32 H35 N2 O8 COc1ccc(cc....
75 4CJP - 4D2 C21 H24 N2 O5 CC(C)C[C@@....
76 4CGG - K5Q C22 H19 N O7 c1ccc2c(c1....
77 4CFC - 7NV C23 H27 N3 O6 CCCCNC(=O)....
78 4CEF - D0T C29 H30 N2 O7 CN(Cc1cccc....
79 3AO1 Kd = 5.5 mM BZX C7 H6 O3 c1cc2c(cc1....
80 3ZT3 Kd = 1435 uM ZT4 C18 H14 O5 c1ccc2c(c1....
81 4CHO - U2Z C12 H15 N3 O Cc1cc(nn1c....
82 3NF9 ic50 = 290 uM CD9 C17 H12 Cl N O5 c1cc2c(cc1....
83 1HYV ic50 > 5 mM TTA C24 H20 As c1ccc(cc1)....
84 3ZSQ Kd = 10.9 uM O4N C31 H34 N2 O6 CCC[C@@H](....
85 4CGD - 8P3 C16 H13 N O3 c1ccc2c(c1....
86 4CF9 - 5EY C22 H20 O7 c1ccc2c(c1....
87 3AVK - SER LEU LYS ILE ASP ASN GLU ASP n/a n/a
88 4CEC - 2SS C29 H34 N2 O7 C=CCN(Cc1c....
89 4CHQ - CWU C18 H16 O5 c1ccc2c(c1....
90 5HRR - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
91 4CGJ - NZL C24 H28 N2 O5 c1ccc2c(c1....
92 3VQB - FBG C9 H7 F O4 c1c(cc(c2c....
93 4GVM ic50 = 1.49 uM LF2 C22 H21 Br Cl N O3 Cc1c(c(c2c....
94 3VQQ - BTE C6 H5 N3 S c1cc(c2c(c....
95 3AVJ - ALA LEU LYS ILE ASP ASN MET ASP n/a n/a
96 4CFD - S8Y C23 H27 N3 O6 CC(C)(C)NC....
97 4JLH ic50 = 15.6 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
98 4CJK - H39 C21 H26 N2 O5 CC(C)C[C@@....
99 4CF8 - V7H C28 H28 N2 O7 c1ccc(cc1)....
100 4CK1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
101 4CHN - ONZ C10 H9 N O5 c1cc(c2c(c....
102 4OJR - 2SQ C26 H28 F N O5 Cc1c(cc(c2....
103 4ID1 - LF0 C25 H27 N O4 Cc1c(c(c2c....
104 3VQ8 - BCU C10 H12 O2 c1ccc2c(c1....
105 3OVN Kd = 2.8 mM MPV C8 H9 N3 S Cn1c(cc(n1....
106 3VQ4 - 0NX C10 H9 N O2 c1ccc(cc1)....
107 4CHZ - H75 C13 H13 Br N2 O c1cc(ccc1N....
108 1QS4 ic50 = 2.3 uM 100 C12 H8 Cl N5 O2 c1cc2c(cc1....
109 4CIG Kd = 214 uM X0P C30 H30 N2 O5 CN(Cc1cccc....
110 5HRS - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
111 3AV9 ic50 = 435 uM SER ALA LYS ILE ASP ASN LEU ASP n/a n/a
112 4CED - 9NS C29 H30 N2 O8 C=CCN(Cc1c....
113 4CEZ - O3N C31 H38 N2 O7 C=CCN(Cc1c....
114 4AHR - I2E C10 H10 O4 c1cc2c(cc1....
115 3ZSO Kd = 7.6 uM O2N C35 H34 N2 O7 COc1ccc(cc....
116 5HRP - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
117 3AO3 - BMC C12 H10 N2 O4 Cn1c(cc(n1....
118 4CJ4 Kd = 432 uM S3G C21 H24 N2 O5 CC(C)C[C@@....
119 4CJS - L0Y C26 H32 N2 O5 CN(Cc1cccc....
120 3ZCM Kd = 519 uM PX3 C28 H28 N2 O6 COc1ccc(cc....
121 3NF6 ic50 = 295 uM IMV C17 H13 N O5 c1ccc2c(c1....
122 4CEA - ZSW C28 H35 N2 O7 CC[C@@H](C....
123 4CJE - Q31 C20 H25 N3 O5 CC(C)C[C@@....
124 4CJ5 Kd = 200 uM 4VW C22 H26 N2 O5 CC(C)C[C@@....
125 3AVL ic50 = 65.8 uM ALA THR LYS ILE ASP ASN LEU ASP n/a n/a
126 4CGH - LOZ C22 H24 N2 O5 c1ccc2c(c1....
127 3NF8 - CDQ C18 H14 Cl N O5 c1cc2c(cc1....
128 3VQA - MWP C8 H7 N O2 S c1cc2c(cc1....
129 4CJV - IV2 C8 H7 Cl N2 S Cc1c(ccc2c....
130 3AVF ic50 = 295 uM ASP LEU LYS ILE ASP ASN LEU ASP n/a n/a
131 3ZSY - OM3 C25 H31 N2 O5 C[N@H+](Cc....
132 4CEQ - QCH C29 H36 N2 O7 CN(Cc1cccc....
133 3VQ5 - MMJ C12 H14 N2 S Cc1c(sc(n1....
134 4AHV - Z5P C10 H11 N3 c1ccc(c(c1....
135 4E1M ic50 = 215 nM TQ2 C24 H27 N O3 Cc1ccc(cc1....
136 5HRN - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
50% Homology Family (136)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4CJU - JNS C16 H12 O4 c1ccc(cc1)....
2 4CEB Kd = 1080 uM ZSV C32 H35 N2 O8 COc1ccc(cc....
3 3AVG - ALA ASP LYS ILE ASP ASN LEU ASP n/a n/a
4 4CIE - Y7N C24 H26 N2 O5 c1ccc2c(c1....
5 4LH5 ic50 = 0.23 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
6 3NFA - CBJ C18 H12 Br N O6 c1cc2c(cc1....
7 3ZSZ - OM2 C22 H27 N2 O5 CC[C@H](C)....
8 4DMN ic50 = 2.3 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
9 3L3V - SUC C12 H22 O11 C([C@@H]1[....
10 4CJL - 9PA C20 H30 N2 O5 CC(C)C[C@@....
11 3AVA ic50 = 39.7 uM ALA LEU LYS ILE ASP ASN LEU ASP n/a n/a
12 4CF0 - O5U C28 H34 N2 O7 c1ccc2c(c1....
13 4AHT - Q6T C8 H6 O4 c1cc(c2c(c....
14 4O5B - LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
15 4CER - VL4 C27 H32 N2 O7 CN(Cc1cccc....
16 4CFA - WOP C26 H25 N3 O6 CN(Cc1ccc2....
17 4CJT - HLR C7 H6 N2 O c1ccc2c(c1....
18 4CJ3 - E4F C23 H26 N2 O5 c1ccc2c(c1....
19 4CGF - UJ6 C17 H13 N O5 c1ccc2c(c1....
20 4CJF - RVN C17 H11 N O5 c1ccc2c(c1....
21 5KGW - 7SK C24 H27 N O4 CC(C)(C)O[....
22 3ZSW - ZSW C28 H35 N2 O7 CC[C@@H](C....
23 4O55 ic50 = 5 uM LF9 C26 H26 Cl N3 O3 Cc1c(c(c(n....
24 4E1N ic50 = 19 nM TQX C26 H28 F N O4 Cc1c(cc(c2....
25 4CEO - G0T C30 H32 N2 O8 CN(Cc1cccc....
26 3NF7 ic50 = 340 uM CIW C17 H12 Cl N O5 c1cc2c(cc1....
27 3AO2 Kd = 0.17 mM AVX C11 H10 Br N3 O2 Cn1c(cc(n1....
28 3ZT4 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
29 4OVL - 1TD C16 H11 N O3 c1ccc2c(c1....
30 5KRS - 6XI C9 H7 N O2 S c1ccn(c1)c....
31 3AVN - SER HIS LYS ILE ASP ASN LEU ASP n/a n/a
32 4CHY - C5Q C17 H13 N O4 c1ccc2c(c1....
33 3ZSR - O3N C31 H38 N2 O7 C=CCN(Cc1c....
34 4CGI Kd = 752 uM NZL C24 H28 N2 O5 c1ccc2c(c1....
35 3VQE - FMQ C11 H11 F N2 O Cc1c(cnn1c....
36 3AVI - SER LEU LYS ILE ASP ASN MET ASP n/a n/a
37 3VQP - DBJ C9 H10 O3 c1cc(c2c(c....
38 4CK2 - NVU C9 H7 N O3 c1ccc2c(c1....
39 4CJW - CBJ C18 H12 Br N O6 c1cc2c(cc1....
40 3VQ7 - SUC C12 H22 O11 C([C@@H]1[....
41 4CES - NFW C27 H28 N2 O8 CN(Cc1cccc....
42 4CF2 - 3GM C26 H30 N2 O7 c1ccc2c(c1....
43 3AVH - ALA ARG LYS ILE ASP ASN LEU ASP n/a n/a
44 3ZSX - N44 C27 H25 N2 O5 C=CCN(Cc1c....
45 3AVC - SER ASP LYS ILE ASP ASN LEU ASP n/a n/a
46 4O0J ic50 = 13 uM LF8 C27 H30 Cl N O3 Cc1ccc(cc1....
47 3AVM - SER ARG LYS ILE ASP ASN LEU ASP n/a n/a
48 4AHU - ICO C9 H7 N O2 c1ccc2c(c1....
49 5KRT - 6W6 C9 H5 Cl2 N O2 S c1cc(n(c1C....
50 3AVB ic50 = 85.2 uM SER LEU LYS ILE ASP ASN LEU ASP n/a n/a
51 4CJR Kd = 793 uM FYM C27 H28 N2 O7 CN(Cc1cccc....
52 4AHS - AKH C9 H6 O3 c1cc2ccoc2....
53 4CIF - JDX C26 H28 N2 O5 CN(Cc1cccc....
54 3VQ6 - BCK C11 H12 N2 O Cn1c(c(cn1....
55 3ZT0 Kd = 595 nM ZT0 C26 H27 N2 O6 C[NH+](Cc1....
56 3AO5 Kd = 5.9 mM BBY C11 H10 Br N3 O2 Cn1c(cc(n1....
57 4NYF Kd = 49 nM 4BI C22 H22 Cl N O3 Cc1c(c(c2c....
58 4CK3 Kd = 268 uM K1T C19 H28 N2 O5 CC(C)C[C@@....
59 4CEE - B0T C26 H32 N2 O7 CC[C@H](C)....
60 4AH9 - 0MB C13 H16 N4 S c1ccc(cc1)....
61 4TSX Kd = 10.3 uM LF0 C25 H27 N O4 Cc1c(c(c2c....
62 4CJQ Kd = 256 uM VXO C25 H28 N2 O5 CC(C)C[C@@....
63 1HYZ ic50 = 380 uM TTO C24 H20 As O2 c1ccc(cc1)....
64 4CF1 - IY7 C27 H32 N2 O7 c1ccc2c(c1....
65 4CE9 - O3N C31 H38 N2 O7 C=CCN(Cc1c....
66 3AO4 Kd = 8.5 mM 833 C11 H11 N3 O2 Cn1c(cc(n1....
67 3ZT2 Kd = 1375 uM ZT2 C18 H12 O5 c1ccc2c(c1....
68 4CFB - OM3 C25 H31 N2 O5 C[N@H+](Cc....
69 3VQD - MOK C11 H9 N O3 Cc1c(c(no1....
70 4CHP - IMV C17 H13 N O5 c1ccc2c(c1....
71 3ZT1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
72 3VQ9 - FBB C7 H5 F N2 S c1cc2c(cc1....
73 3VQC - MPK C11 H11 N O2 Cc1c(c(no1....
74 3ZSV - ZSV C32 H35 N2 O8 COc1ccc(cc....
75 4CJP - 4D2 C21 H24 N2 O5 CC(C)C[C@@....
76 4CGG - K5Q C22 H19 N O7 c1ccc2c(c1....
77 4CFC - 7NV C23 H27 N3 O6 CCCCNC(=O)....
78 4CEF - D0T C29 H30 N2 O7 CN(Cc1cccc....
79 3AO1 Kd = 5.5 mM BZX C7 H6 O3 c1cc2c(cc1....
80 3ZT3 Kd = 1435 uM ZT4 C18 H14 O5 c1ccc2c(c1....
81 4CHO - U2Z C12 H15 N3 O Cc1cc(nn1c....
82 3NF9 ic50 = 290 uM CD9 C17 H12 Cl N O5 c1cc2c(cc1....
83 1HYV ic50 > 5 mM TTA C24 H20 As c1ccc(cc1)....
84 3ZSQ Kd = 10.9 uM O4N C31 H34 N2 O6 CCC[C@@H](....
85 4CGD - 8P3 C16 H13 N O3 c1ccc2c(c1....
86 4CF9 - 5EY C22 H20 O7 c1ccc2c(c1....
87 3AVK - SER LEU LYS ILE ASP ASN GLU ASP n/a n/a
88 4CEC - 2SS C29 H34 N2 O7 C=CCN(Cc1c....
89 4CHQ - CWU C18 H16 O5 c1ccc2c(c1....
90 5HRR - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
91 4CGJ - NZL C24 H28 N2 O5 c1ccc2c(c1....
92 3VQB - FBG C9 H7 F O4 c1c(cc(c2c....
93 4GVM ic50 = 1.49 uM LF2 C22 H21 Br Cl N O3 Cc1c(c(c2c....
94 3VQQ - BTE C6 H5 N3 S c1cc(c2c(c....
95 3AVJ - ALA LEU LYS ILE ASP ASN MET ASP n/a n/a
96 4CFD - S8Y C23 H27 N3 O6 CC(C)(C)NC....
97 4JLH ic50 = 15.6 uM 0L9 C19 H15 Br Cl N O3 Cc1c(c(c2c....
98 4CJK - H39 C21 H26 N2 O5 CC(C)C[C@@....
99 4CF8 - V7H C28 H28 N2 O7 c1ccc(cc1)....
100 4CK1 - OM1 C25 H25 N2 O6 COc1ccc(cc....
101 4CHN - ONZ C10 H9 N O5 c1cc(c2c(c....
102 4OJR - 2SQ C26 H28 F N O5 Cc1c(cc(c2....
103 4ID1 - LF0 C25 H27 N O4 Cc1c(c(c2c....
104 3VQ8 - BCU C10 H12 O2 c1ccc2c(c1....
105 3OVN Kd = 2.8 mM MPV C8 H9 N3 S Cn1c(cc(n1....
106 3VQ4 - 0NX C10 H9 N O2 c1ccc(cc1)....
107 4CHZ - H75 C13 H13 Br N2 O c1cc(ccc1N....
108 1QS4 ic50 = 2.3 uM 100 C12 H8 Cl N5 O2 c1cc2c(cc1....
109 4CIG Kd = 214 uM X0P C30 H30 N2 O5 CN(Cc1cccc....
110 5HRS - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
111 3AV9 ic50 = 435 uM SER ALA LYS ILE ASP ASN LEU ASP n/a n/a
112 4CED - 9NS C29 H30 N2 O8 C=CCN(Cc1c....
113 4CEZ - O3N C31 H38 N2 O7 C=CCN(Cc1c....
114 4AHR - I2E C10 H10 O4 c1cc2c(cc1....
115 3ZSO Kd = 7.6 uM O2N C35 H34 N2 O7 COc1ccc(cc....
116 5HRP - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
117 3AO3 - BMC C12 H10 N2 O4 Cn1c(cc(n1....
118 4CJ4 Kd = 432 uM S3G C21 H24 N2 O5 CC(C)C[C@@....
119 4CJS - L0Y C26 H32 N2 O5 CN(Cc1cccc....
120 3ZCM Kd = 519 uM PX3 C28 H28 N2 O6 COc1ccc(cc....
121 3NF6 ic50 = 295 uM IMV C17 H13 N O5 c1ccc2c(c1....
122 4CEA - ZSW C28 H35 N2 O7 CC[C@@H](C....
123 4CJE - Q31 C20 H25 N3 O5 CC(C)C[C@@....
124 4CJ5 Kd = 200 uM 4VW C22 H26 N2 O5 CC(C)C[C@@....
125 3AVL ic50 = 65.8 uM ALA THR LYS ILE ASP ASN LEU ASP n/a n/a
126 4CGH - LOZ C22 H24 N2 O5 c1ccc2c(c1....
127 3NF8 - CDQ C18 H14 Cl N O5 c1cc2c(cc1....
128 3VQA - MWP C8 H7 N O2 S c1cc2c(cc1....
129 4CJV - IV2 C8 H7 Cl N2 S Cc1c(ccc2c....
130 3AVF ic50 = 295 uM ASP LEU LYS ILE ASP ASN LEU ASP n/a n/a
131 3ZSY - OM3 C25 H31 N2 O5 C[N@H+](Cc....
132 4CEQ - QCH C29 H36 N2 O7 CN(Cc1cccc....
133 3VQ5 - MMJ C12 H14 N2 S Cc1c(sc(n1....
134 4AHV - Z5P C10 H11 N3 c1ccc(c(c1....
135 4E1M ic50 = 215 nM TQ2 C24 H27 N O3 Cc1ccc(cc1....
136 5HRN - 65P C31 H32 F2 N2 O4 Cc1c(ccc2c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: G0T; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 G0T 1 1
2 D0T 0.848485 0.948276
3 NFW 0.738318 0.901639
4 VL4 0.72381 0.916667
5 QCH 0.719626 0.916667
6 B0T 0.695238 0.916667
7 ZSV 0.666667 0.903226
8 V7H 0.612613 0.844828
9 9NS 0.583333 0.8125
10 2SS 0.581197 0.825397
11 JDX 0.571429 0.793103
12 O3N 0.571429 0.83871
13 PX3 0.538462 0.78125
14 ZT0 0.478992 0.83871
15 L0Y 0.470085 0.9
16 ZSW 0.464567 0.859375
17 OM1 0.458333 0.746032
18 FYM 0.434426 0.852459
19 X0P 0.409836 0.810345
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4E1N; Ligand: TQX; Similar sites found: 154
This union binding pocket(no: 1) in the query (biounit: 4e1n.bio1) has 96 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.0005567 0.52306 None
2 1NF8 BOG 0.000162 0.50658 None
3 1UO4 PIH 0.002103 0.48021 None
4 1JAC AMG 0.00522 0.45928 None
5 2XI7 XI7 0.01045 0.45225 None
6 1BTN I3P 0.01334 0.4493 None
7 1JGS SAL 0.01926 0.43739 None
8 4A6F SEP 0.01518 0.43462 None
9 3W8S GSH 0.006026 0.42105 None
10 4EXO PYR 0.01645 0.4186 None
11 2XRH NIO 0.01994 0.40861 None
12 3SJ0 DXC 0.02034 0.40821 None
13 1PTR PRB 0.02122 0.40734 None
14 4P9Z NMI PTR 02K ASN NH2 0.0109 0.40484 None
15 1JN2 SFP 0.04126 0.44017 1.20482
16 1W3R PYR 0.02606 0.40879 1.20482
17 3MAG 3MA 0.0004183 0.51736 1.80723
18 1Y7P RIP 0.003354 0.45232 1.80723
19 3MD0 GDP 0.006187 0.41029 1.80723
20 4P3H 25G 0.004483 0.40695 1.80723
21 3MCT 3MC 0.01114 0.40443 1.80723
22 1YOA FMN 0.01838 0.43853 1.88679
23 3F8C HT1 0.01801 0.40023 2.38095
24 3BRE C2E 0.00005196 0.51995 2.40964
25 2BZ1 TAU 0.005214 0.46907 2.40964
26 2P69 PLP 0.008911 0.41363 2.40964
27 3VPQ GSH 0.01423 0.40472 2.40964
28 4CIB 7UZ 0.01469 0.40413 2.40964
29 3LTW HLZ 0.002753 0.44218 3.01205
30 3PLN U5P 0.003112 0.42783 3.01205
31 2HW1 FRU 0.009292 0.41283 3.01205
32 1SS4 GSH 0.0001594 0.55906 3.26797
33 3S9K CIT 0.02442 0.42919 3.38983
34 4F8L GAL 0.001799 0.49476 3.44828
35 2Q8H TF4 0.0003232 0.51192 3.61446
36 2WGC SIA GAL BGC 0.006357 0.46427 3.61446
37 1Y1A GSH 0.01233 0.45669 3.61446
38 4PPU TYR 0.0007688 0.45342 3.61446
39 1WGC SIA GAL BGC 0.007093 0.45221 3.61446
40 2C5S AMP 0.0009032 0.44442 3.61446
41 1B5E DCM 0.003706 0.41939 3.61446
42 1O9U ADZ 0.02338 0.41748 3.61446
43 4KCT PYR 0.004562 0.4157 3.61446
44 2OKK ABU 0.01991 0.41453 3.61446
45 1WRA PC 0.01517 0.41422 3.61446
46 3QV9 QV7 0.01193 0.40808 3.61446
47 2JBH 5GP 0.009195 0.40325 3.61446
48 1GU3 BGC BGC BGC BGC BGC 0.01193 0.40318 4.02685
49 1NU4 MLA 0.003467 0.4687 4.12371
50 3E5P PPI 0.0002775 0.56689 4.21687
51 2YD6 FLC 0.0005544 0.54468 4.21687
52 4WBD CIT 0.004418 0.44649 4.21687
53 4E28 9MZ 0.005694 0.42792 4.21687
54 4COQ SAN 0.0086 0.41982 4.21687
55 4E28 0MZ 0.008942 0.41356 4.21687
56 3F81 STT 0.03381 0.40924 4.21687
57 1C1L GAL BGC 0.01224 0.4186 4.37956
58 4JCA CIT 0.0001981 0.53454 4.81928
59 4B16 NAG 0.003328 0.46964 4.81928
60 1HK8 DGT 0.0002451 0.43908 4.81928
61 5CSM TRP 0.002375 0.43278 4.81928
62 1T3D CYS 0.01902 0.40959 4.81928
63 3NKS ACJ 0.003474 0.40244 4.81928
64 1P9B HDA 0.01786 0.4004 4.81928
65 3WUD GLC GAL 0.01327 0.42318 5.14706
66 1QB7 ADE 0.0002889 0.45831 5.42169
67 9LDT OXM 0.008401 0.4483 5.42169
68 2BO4 FLC 0.01851 0.41014 5.42169
69 1ZCH FMN 0.0008399 0.40788 5.42169
70 4OYA 1VE 0.02649 0.40501 5.42169
71 2YLD CMO 0.001516 0.45387 5.51181
72 2OFD NGA 0.00535 0.42915 5.6338
73 1Y2W NAG 0.008237 0.42067 5.6338
74 2X2T GAL NGA 0.003861 0.45731 5.88235
75 3UDG TMP 0.005076 0.45128 6.0241
76 1H16 DTL 0.0202 0.42073 6.0241
77 3ZGE ASP 0.01796 0.41674 6.0241
78 2QIA U20 0.0081 0.40398 6.0241
79 2BOI MFU 0.007948 0.41064 6.19469
80 4DN8 BMA 0.01847 0.40475 6.41026
81 2ALG DAO 0.002087 0.44114 6.52174
82 3TKA CTN 0.001842 0.51627 6.62651
83 4RJK PYR 0.003256 0.48045 6.62651
84 1HQL GLA MBG 0.002606 0.45012 6.62651
85 2VDJ HSE 0.003755 0.44993 6.62651
86 3U1T MLI 0.002636 0.44989 6.62651
87 3L6R MLI 0.01479 0.41473 6.62651
88 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.000914 0.41467 6.62651
89 1WTC ACP 0.002516 0.4118 6.62651
90 2ZE3 AKG 0.01578 0.40276 6.62651
91 1AX2 NDG GAL 0.0138 0.4005 6.62651
92 1RYI GOA 0.0009043 0.51663 7.22892
93 1XX4 BAM 0.001273 0.48175 7.22892
94 3EYK EYK 0.001496 0.45414 7.22892
95 1Z44 NPO 0.0165 0.44116 7.22892
96 3I6B KDO 0.001709 0.4388 7.22892
97 2YIV YIV 0.01043 0.42829 7.22892
98 2YIV NBN 0.02054 0.40801 7.22892
99 3GTD MLI 0.0146 0.40423 7.22892
100 2W3L DRO 0.003748 0.45797 7.63889
101 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.004925 0.44419 7.83133
102 3R6K FUC GAL GLA 0.01077 0.42122 7.83133
103 2R00 OEG 0.01584 0.41333 7.83133
104 2WQF FMN 0.003488 0.41089 7.83133
105 4ME6 ADP 0.01773 0.40053 7.83133
106 2F5T MAL 0.002416 0.40019 7.83133
107 1Q3P GLU ALA GLN THR ARG LEU 0.008725 0.40418 8.25688
108 1V7R CIT 0.03908 0.4126 8.43373
109 1QS0 TDP 0.0005953 0.40152 8.43373
110 1UW1 ADP 0.002642 0.43668 8.75
111 2Q3M MLA 0.005944 0.4478 9.03614
112 4M5P MLA 0.02632 0.42184 9.03614
113 1ULE GLA GAL NAG 0.0001463 0.51848 9.33333
114 3GF2 SAL 0.00464 0.44545 9.58904
115 2O66 FLC 0.009663 0.41209 9.62963
116 4QVH FLC 0.003375 0.48491 9.63855
117 3ZPG 5GP 0.001104 0.48489 9.63855
118 4W6Z ETF 0.01126 0.42667 9.63855
119 1HFA PIO 0.0004431 0.56851 10.241
120 3CBG 4FE 0.0086 0.44776 10.241
121 3CBG FER 0.01037 0.43551 10.241
122 3UEC ALA ARG TPO LYS 0.001872 0.45685 10.274
123 2FGQ MLT 0.01553 0.40817 10.8434
124 2V5E SCR 0.002023 0.48111 10.8911
125 1GJW GLC 0.0003572 0.49052 11.4458
126 1SC3 MLI 0.001002 0.47786 11.4458
127 1QO0 BMD 0.0122 0.41293 11.4458
128 1B74 DGN 0.02892 0.40656 11.4458
129 3KPE TM3 0.02302 0.40039 11.7647
130 3QDW A2G 0.003207 0.4614 11.8881
131 3QDT A2G GAL 0.002569 0.45796 11.8881
132 3QDY A2G GAL 0.002787 0.45623 11.8881
133 3QDY CBS 0.002964 0.44751 11.8881
134 3QDW NDG 0.003333 0.44512 11.8881
135 1RZM E4P 0.02921 0.40076 12.0482
136 2ZWS PLM 0.002672 0.48522 12.6506
137 2Z9V PXM 0.008487 0.40944 12.6506
138 2EB5 OXL 0.0227 0.40067 12.6506
139 3NNF AKG 0.01021 0.41645 13.253
140 1G8S MET 0.01569 0.40797 13.8554
141 1T0S BML 0.01299 0.42362 15.0602
142 4NC7 I3C 0.01606 0.41305 15.1515
143 1KC7 PPR 0.008214 0.42675 15.6627
144 4O8A 2OP 0.01838 0.42283 15.6627
145 4WVH ASP HIS ASP ALA HIS ALA 0.004103 0.41758 17.4699
146 3IHB TRS 0.0004361 0.45645 18.0723
147 1MZV AMP 0.0003557 0.45475 18.0723
148 3IHB GLU 0.01467 0.4149 18.0723
149 1TDF NAP 0.01222 0.40749 19.8795
150 1V5F FAD 0.01323 0.42931 20.4819
151 1V5F TPP 0.01323 0.42931 20.4819
152 1I0Z OXM 0.04379 0.40344 23.494
153 3HZL 6PC 0.02919 0.41253 24.0964
154 1A5V Y3 0.01538 0.40324 34.1772
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