Receptor
PDB id Resolution Class Description Source Keywords
4ABQ 1.7 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF TRANSTHYRETIN IN COMPLEX WITH LIGAND C- HOMO SAPIENS TRANSPORT PROTEIN
Ref.: CRYSTALLOGRAPHIC STUDY OF NOVEL TRANSTHYRETIN LIGAN EXHIBITING NEGATIVE-COOPERATIVITY BETWEEN TWO THYRO BINDING SITES. PLOS ONE V. 7 43522 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4V2 A:1125;
B:1125;
Valid;
Valid;
none;
none;
submit data
194.21 C8 H6 N2 O2 S c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TCT 1.3 Å NON-ENZYME: TRANSPORT STRUCTURE OF WILD-TYPE TTR IN COMPLEX WITH TAFAMIDIS HOMO SAPIENS AMYLOID AMYLOIDOSIS DISEASE MUTATION GAMMA-CARBOXYGLUTAMIGLYCOPROTEIN HORMONE NEUROPATHY SECRETED THYROID HORMONTRANSPORT KINETIC STABILIZER INHIBITION OF THE AMYLOID CABINDING PROTEIN
Ref.: TAFAMIDIS, A POTENT AND SELECTIVE TRANSTHYRETIN KIN STABILIZER THAT INHIBITS THE AMYLOID CASCADE. PROC.NATL.ACAD.SCI.USA V. 109 9629 2012
Members (151)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 2B16 - DNF C6 H4 N2 O5 c1cc(c(cc1....
2 4ABV ic50 = 0.85 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
3 5JID - 8PF C8 H F15 O2 C(=O)(C(C(....
4 5JIM - P8S C8 H F17 O3 S C(C(C(C(C(....
5 6TI9 - ND5 C10 H9 Br2 N O4 c1c(cc(c(c....
6 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
7 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
8 5AKV - G7G C21 H18 O11 c1cc(ccc1C....
9 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
10 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
11 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
12 4DER Kd = 0.49 uM AGI C15 H10 O5 c1cc(ccc1C....
13 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
14 5L4M Kd = 4.6 uM SBK C7 H4 Cl3 N O3 c1c(c(nc(c....
15 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
16 6GRP Kd = 3.34 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
17 5AKS - R3X C20 H20 O9 c1cc(ccc1/....
18 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
19 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
20 4HIQ Kd = 6.2 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
21 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
22 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
23 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
24 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
25 3TCT Kd = 3 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
26 5E23 - L32 C15 H9 Br2 N O3 c1cc-2c(cc....
27 4QYA - LU2 C15 H10 O6 c1cc(c(cc1....
28 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
29 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
30 4HIS Kd = 8.1 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
31 5AKT - R4G C20 H20 O9 c1cc(ccc1/....
32 5L4J Kd = 52 uM 6JD C12 H10 O4 S c1cc(ccc1O....
33 5CR1 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
34 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
35 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
36 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
37 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
38 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
39 5EZP - IPJ C15 H12 O2 c1ccc(cc1)....
40 3D2T Kd = 75 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
41 4D7B Kd = 21 nM TCW C14 H11 N O5 Cc1ccc(cc1....
42 6TXV Kd = 3.1 uM TCW C14 H11 N O5 Cc1ccc(cc1....
43 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
44 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
45 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
46 4TQH - ES8 C15 H11 N O3 c1ccc2c(c1....
47 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
48 5IHH Kd = 390 nM 6B5 C16 H12 O6 COc1cc(c2c....
49 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
50 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
51 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
52 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
53 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
54 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
55 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
56 6GR7 Kd = 3.19 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
57 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
58 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
59 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
60 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
61 5TZL - IIH C13 H6 Cl I2 N O2 c1cc2c(c(c....
62 4TQI - 6BD C17 H15 N O3 C[C@@H](CO....
63 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
64 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
65 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
66 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
67 4WNJ - QUE C15 H10 O7 c1cc(c(cc1....
68 5AL0 - R3S C14 H12 O6 S c1cc(ccc1/....
69 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
70 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
71 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
72 5L4I Kd = 0.26 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
73 4WNS - 3RL C16 H16 O3 COc1cc(cc(....
74 4YDN - 4B8 C14 H8 Cl2 N2 O3 c1cc(ccc1c....
75 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
76 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
77 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
78 4TQ8 - 7BD C16 H13 N O3 c1ccc2c(c1....
79 4PME - CUR C21 H20 O6 COc1cc(ccc....
80 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
81 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
82 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
83 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
84 5E4O - L57 C15 H11 Cl2 N O3 c1ccc(cc1)....
85 1TYR Kd = 0.1 uM 9CR C20 H28 O2 CC1=C(C(CC....
86 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
87 5HJG Kd = 20 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
88 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
89 6XTK Kd = 0.029 uM TCW C14 H11 N O5 Cc1ccc(cc1....
90 4DEU Kd = 2.29 uM NAR C15 H12 O5 c1cc(ccc1[....
91 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
92 4QXV - LU2 C15 H10 O6 c1cc(c(cc1....
93 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
94 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
95 5A6I Kd = 56 nM TCW C14 H11 N O5 Cc1ccc(cc1....
96 5L4F Kd = 1.3 uM 6J1 C7 H6 N2 O5 Cc1cc(c(c(....
97 4TQP - 48R C18 H18 N2 O4 S C[C@H](CON....
98 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
99 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
100 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
101 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
102 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
103 5JIQ - 27M C13 H10 O5 c1cc(c(cc1....
104 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
105 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
106 6TXW Kd = 0.11 uM TCW C14 H11 N O5 Cc1ccc(cc1....
107 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
108 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
109 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
110 5E4A - 5JW C15 H9 Cl2 N O3 c1cc-2c(cc....
111 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
112 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
113 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
114 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
115 5EN3 Kd = 620 nM 7LU C15 H9 Cl O5 c1cc(c(cc1....
116 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
117 4DET Kd = 2.1 uM KMP C15 H10 O6 c1cc(ccc1C....
118 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
119 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
120 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
121 5BOJ Kd = 100 nM 4TX C15 H22 O3 Cc1ccc(c(c....
122 7ACU ic50 = 4.3 uM R75 C17 H12 Br2 O3 CCc1c(c2cc....
123 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
124 4WO0 - AGI C15 H10 O5 c1cc(ccc1C....
125 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
126 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
127 6R6I - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
128 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
129 5AL8 - D75 C21 H18 O10 c1cc(ccc1C....
130 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
131 1DVS - STL C14 H12 O3 c1cc(ccc1C....
132 5AYT Ki = 0.17 uM L6Y C19 H11 N O4 c1ccc(cc1)....
133 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
134 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
135 4YDM - 4AJ C14 H8 Cl2 N2 O3 c1cc(cc(c1....
136 4PMF - CUR C21 H20 O6 COc1cc(ccc....
137 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
138 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
139 4Y9B - MKS C24 H26 O6 CC(=CCc1c(....
140 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
141 4QRF - QAP C17 H16 O4 c1ccc(cc1)....
142 6R68 - JTK C15 H11 Cl2 F O2 C[C@H](c1c....
143 4DES Kd = 1.4 uM 57D C15 H10 O4 c1ccc(cc1)....
144 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
145 4N87 - GBJ C20 H20 O4 CC1(C=Cc2c....
146 4PWH - PWH C14 H16 O4 CC(=CCOC(=....
147 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
148 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
149 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
150 4DEW Kd = 0.1 uM LU2 C15 H10 O6 c1cc(c(cc1....
151 4Y9E - MKT C23 H24 O6 CC(=CCc1c(....
70% Homology Family (176)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 2B16 - DNF C6 H4 N2 O5 c1cc(c(cc1....
2 4ABV ic50 = 0.85 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
3 5JID - 8PF C8 H F15 O2 C(=O)(C(C(....
4 5JIM - P8S C8 H F17 O3 S C(C(C(C(C(....
5 6TI9 - ND5 C10 H9 Br2 N O4 c1c(cc(c(c....
6 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
7 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
8 5AKV - G7G C21 H18 O11 c1cc(ccc1C....
9 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
10 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
11 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
12 4DER Kd = 0.49 uM AGI C15 H10 O5 c1cc(ccc1C....
13 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
14 5L4M Kd = 4.6 uM SBK C7 H4 Cl3 N O3 c1c(c(nc(c....
15 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
16 6GRP Kd = 3.34 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
17 5AKS - R3X C20 H20 O9 c1cc(ccc1/....
18 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
19 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
20 4HIQ Kd = 6.2 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
21 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
22 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
23 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
24 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
25 3TCT Kd = 3 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
26 5E23 - L32 C15 H9 Br2 N O3 c1cc-2c(cc....
27 4QYA - LU2 C15 H10 O6 c1cc(c(cc1....
28 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
29 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
30 4HIS Kd = 8.1 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
31 5AKT - R4G C20 H20 O9 c1cc(ccc1/....
32 5L4J Kd = 52 uM 6JD C12 H10 O4 S c1cc(ccc1O....
33 5CR1 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
34 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
35 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
36 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
37 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
38 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
39 5EZP - IPJ C15 H12 O2 c1ccc(cc1)....
40 3D2T Kd = 75 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
41 4D7B Kd = 21 nM TCW C14 H11 N O5 Cc1ccc(cc1....
42 6TXV Kd = 3.1 uM TCW C14 H11 N O5 Cc1ccc(cc1....
43 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
44 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
45 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
46 4TQH - ES8 C15 H11 N O3 c1ccc2c(c1....
47 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
48 5IHH Kd = 390 nM 6B5 C16 H12 O6 COc1cc(c2c....
49 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
50 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
51 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
52 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
53 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
54 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
55 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
56 6GR7 Kd = 3.19 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
57 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
58 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
59 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
60 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
61 5TZL - IIH C13 H6 Cl I2 N O2 c1cc2c(c(c....
62 4TQI - 6BD C17 H15 N O3 C[C@@H](CO....
63 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
64 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
65 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
66 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
67 4WNJ - QUE C15 H10 O7 c1cc(c(cc1....
68 5AL0 - R3S C14 H12 O6 S c1cc(ccc1/....
69 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
70 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
71 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
72 5L4I Kd = 0.26 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
73 4WNS - 3RL C16 H16 O3 COc1cc(cc(....
74 4YDN - 4B8 C14 H8 Cl2 N2 O3 c1cc(ccc1c....
75 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
76 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
77 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
78 4TQ8 - 7BD C16 H13 N O3 c1ccc2c(c1....
79 4PME - CUR C21 H20 O6 COc1cc(ccc....
80 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
81 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
82 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
83 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
84 5E4O - L57 C15 H11 Cl2 N O3 c1ccc(cc1)....
85 1TYR Kd = 0.1 uM 9CR C20 H28 O2 CC1=C(C(CC....
86 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
87 5HJG Kd = 20 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
88 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
89 6XTK Kd = 0.029 uM TCW C14 H11 N O5 Cc1ccc(cc1....
90 4DEU Kd = 2.29 uM NAR C15 H12 O5 c1cc(ccc1[....
91 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
92 4QXV - LU2 C15 H10 O6 c1cc(c(cc1....
93 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
94 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
95 5A6I Kd = 56 nM TCW C14 H11 N O5 Cc1ccc(cc1....
96 5L4F Kd = 1.3 uM 6J1 C7 H6 N2 O5 Cc1cc(c(c(....
97 4TQP - 48R C18 H18 N2 O4 S C[C@H](CON....
98 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
99 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
100 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
101 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
102 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
103 5JIQ - 27M C13 H10 O5 c1cc(c(cc1....
104 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
105 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
106 6TXW Kd = 0.11 uM TCW C14 H11 N O5 Cc1ccc(cc1....
107 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
108 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
109 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
110 5E4A - 5JW C15 H9 Cl2 N O3 c1cc-2c(cc....
111 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
112 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
113 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
114 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
115 5EN3 Kd = 620 nM 7LU C15 H9 Cl O5 c1cc(c(cc1....
116 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
117 4DET Kd = 2.1 uM KMP C15 H10 O6 c1cc(ccc1C....
118 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
119 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
120 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
121 5BOJ Kd = 100 nM 4TX C15 H22 O3 Cc1ccc(c(c....
122 7ACU ic50 = 4.3 uM R75 C17 H12 Br2 O3 CCc1c(c2cc....
123 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
124 4WO0 - AGI C15 H10 O5 c1cc(ccc1C....
125 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
126 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
127 6R6I - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
128 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
129 5AL8 - D75 C21 H18 O10 c1cc(ccc1C....
130 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
131 1DVS - STL C14 H12 O3 c1cc(ccc1C....
132 5AYT Ki = 0.17 uM L6Y C19 H11 N O4 c1ccc(cc1)....
133 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
134 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
135 4YDM - 4AJ C14 H8 Cl2 N2 O3 c1cc(cc(c1....
136 4PMF - CUR C21 H20 O6 COc1cc(ccc....
137 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
138 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
139 4Y9B - MKS C24 H26 O6 CC(=CCc1c(....
140 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
141 4QRF - QAP C17 H16 O4 c1ccc(cc1)....
142 6R68 - JTK C15 H11 Cl2 F O2 C[C@H](c1c....
143 4DES Kd = 1.4 uM 57D C15 H10 O4 c1ccc(cc1)....
144 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
145 4N87 - GBJ C20 H20 O4 CC1(C=Cc2c....
146 4PWH - PWH C14 H16 O4 CC(=CCOC(=....
147 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
148 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
149 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
150 4DEW Kd = 0.1 uM LU2 C15 H10 O6 c1cc(c(cc1....
151 4Y9E - MKT C23 H24 O6 CC(=CCc1c(....
152 6GNR Kd = 3.61 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
153 1SN5 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
154 1SN0 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
155 6GNM Kd = 54.61 uM 27M C13 H10 O5 c1cc(c(cc1....
156 6GOO Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
157 6GNP Kd = 28.41 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
158 6GNW Kd = 10.2 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
159 6GON Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
160 4PWI - ROA C18 H16 O8 c1cc(c(cc1....
161 6IMY - AJU C17 H24 O8 c1cc2c(cc1....
162 4PWF - PWF C18 H18 O4 COc1cc(ccc....
163 6R66 - JTN C16 H11 Cl2 F O2 c1cc(c(cc1....
164 4PWK - PWK C20 H26 O4 C[C@H](Cc1....
165 6R67 - JTE C17 H17 F O2 Cc1cc(cc(c....
166 4Y9F - MKT C23 H24 O6 CC(=CCc1c(....
167 6SUG - LVB C14 H11 N O4 Cc1ccc(cc1....
168 6SUH - LVE C15 H13 N O5 Cc1ccc(cc1....
169 4PWJ - 30Z C18 H22 O4 C[C@@H](Cc....
170 4Y9C - MKS C24 H26 O6 CC(=CCc1c(....
171 4Y9G - MKU C24 H26 O6 CC(=CCc1c2....
172 4N86 - GBJ C20 H20 O4 CC1(C=Cc2c....
173 4PWG - 0XR C11 H12 O4 CCOC(=O)/C....
174 1KGJ - FL8 C16 H10 Br2 O4 CC1=C(Oc2c....
175 1KGI - T4A C14 H8 I4 O4 c1c(cc(c(c....
176 1IE4 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
50% Homology Family (177)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 2B16 - DNF C6 H4 N2 O5 c1cc(c(cc1....
2 4ABV ic50 = 0.85 uM FT2 C13 H9 Cl3 O2 c1cc(c(cc1....
3 5JID - 8PF C8 H F15 O2 C(=O)(C(C(....
4 5JIM - P8S C8 H F17 O3 S C(C(C(C(C(....
5 6TI9 - ND5 C10 H9 Br2 N O4 c1c(cc(c(c....
6 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
7 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
8 5AKV - G7G C21 H18 O11 c1cc(ccc1C....
9 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
10 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
11 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
12 4DER Kd = 0.49 uM AGI C15 H10 O5 c1cc(ccc1C....
13 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
14 5L4M Kd = 4.6 uM SBK C7 H4 Cl3 N O3 c1c(c(nc(c....
15 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
16 6GRP Kd = 3.34 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
17 5AKS - R3X C20 H20 O9 c1cc(ccc1/....
18 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
19 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
20 4HIQ Kd = 6.2 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
21 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
22 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
23 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
24 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
25 3TCT Kd = 3 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
26 5E23 - L32 C15 H9 Br2 N O3 c1cc-2c(cc....
27 4QYA - LU2 C15 H10 O6 c1cc(c(cc1....
28 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
29 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
30 4HIS Kd = 8.1 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
31 5AKT - R4G C20 H20 O9 c1cc(ccc1/....
32 5L4J Kd = 52 uM 6JD C12 H10 O4 S c1cc(ccc1O....
33 5CR1 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
34 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
35 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
36 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
37 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
38 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
39 5EZP - IPJ C15 H12 O2 c1ccc(cc1)....
40 3D2T Kd = 75 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
41 4D7B Kd = 21 nM TCW C14 H11 N O5 Cc1ccc(cc1....
42 6TXV Kd = 3.1 uM TCW C14 H11 N O5 Cc1ccc(cc1....
43 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
44 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
45 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
46 4TQH - ES8 C15 H11 N O3 c1ccc2c(c1....
47 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
48 5IHH Kd = 390 nM 6B5 C16 H12 O6 COc1cc(c2c....
49 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
50 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
51 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
52 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
53 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
54 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
55 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
56 6GR7 Kd = 3.19 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
57 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
58 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
59 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
60 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
61 5TZL - IIH C13 H6 Cl I2 N O2 c1cc2c(c(c....
62 4TQI - 6BD C17 H15 N O3 C[C@@H](CO....
63 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
64 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
65 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
66 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
67 4WNJ - QUE C15 H10 O7 c1cc(c(cc1....
68 5AL0 - R3S C14 H12 O6 S c1cc(ccc1/....
69 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
70 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
71 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
72 5L4I Kd = 0.26 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
73 4WNS - 3RL C16 H16 O3 COc1cc(cc(....
74 4YDN - 4B8 C14 H8 Cl2 N2 O3 c1cc(ccc1c....
75 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
76 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
77 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
78 4TQ8 - 7BD C16 H13 N O3 c1ccc2c(c1....
79 4PME - CUR C21 H20 O6 COc1cc(ccc....
80 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
81 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
82 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
83 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
84 5E4O - L57 C15 H11 Cl2 N O3 c1ccc(cc1)....
85 1TYR Kd = 0.1 uM 9CR C20 H28 O2 CC1=C(C(CC....
86 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
87 5HJG Kd = 20 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
88 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
89 6XTK Kd = 0.029 uM TCW C14 H11 N O5 Cc1ccc(cc1....
90 4DEU Kd = 2.29 uM NAR C15 H12 O5 c1cc(ccc1[....
91 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
92 4QXV - LU2 C15 H10 O6 c1cc(c(cc1....
93 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
94 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
95 5A6I Kd = 56 nM TCW C14 H11 N O5 Cc1ccc(cc1....
96 5L4F Kd = 1.3 uM 6J1 C7 H6 N2 O5 Cc1cc(c(c(....
97 4TQP - 48R C18 H18 N2 O4 S C[C@H](CON....
98 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
99 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
100 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
101 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
102 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
103 5JIQ - 27M C13 H10 O5 c1cc(c(cc1....
104 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
105 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
106 6TXW Kd = 0.11 uM TCW C14 H11 N O5 Cc1ccc(cc1....
107 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
108 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
109 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
110 5E4A - 5JW C15 H9 Cl2 N O3 c1cc-2c(cc....
111 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
112 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
113 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
114 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
115 5EN3 Kd = 620 nM 7LU C15 H9 Cl O5 c1cc(c(cc1....
116 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
117 4DET Kd = 2.1 uM KMP C15 H10 O6 c1cc(ccc1C....
118 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
119 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
120 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
121 5BOJ Kd = 100 nM 4TX C15 H22 O3 Cc1ccc(c(c....
122 7ACU ic50 = 4.3 uM R75 C17 H12 Br2 O3 CCc1c(c2cc....
123 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
124 4WO0 - AGI C15 H10 O5 c1cc(ccc1C....
125 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
126 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
127 6R6I - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
128 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
129 5AL8 - D75 C21 H18 O10 c1cc(ccc1C....
130 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
131 1DVS - STL C14 H12 O3 c1cc(ccc1C....
132 5AYT Ki = 0.17 uM L6Y C19 H11 N O4 c1ccc(cc1)....
133 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
134 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
135 4YDM - 4AJ C14 H8 Cl2 N2 O3 c1cc(cc(c1....
136 4PMF - CUR C21 H20 O6 COc1cc(ccc....
137 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
138 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
139 4Y9B - MKS C24 H26 O6 CC(=CCc1c(....
140 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
141 4QRF - QAP C17 H16 O4 c1ccc(cc1)....
142 6R68 - JTK C15 H11 Cl2 F O2 C[C@H](c1c....
143 4DES Kd = 1.4 uM 57D C15 H10 O4 c1ccc(cc1)....
144 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
145 4N87 - GBJ C20 H20 O4 CC1(C=Cc2c....
146 4PWH - PWH C14 H16 O4 CC(=CCOC(=....
147 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
148 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
149 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
150 4DEW Kd = 0.1 uM LU2 C15 H10 O6 c1cc(c(cc1....
151 4Y9E - MKT C23 H24 O6 CC(=CCc1c(....
152 6GNO Kd = 0.18 uM XDI C15 H12 Br4 O2 CC(C)(c1cc....
153 6GNR Kd = 3.61 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
154 1SN5 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
155 1SN0 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
156 6GNM Kd = 54.61 uM 27M C13 H10 O5 c1cc(c(cc1....
157 6GOO Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
158 6GNP Kd = 28.41 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
159 6GNW Kd = 10.2 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
160 6GON Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
161 4PWI - ROA C18 H16 O8 c1cc(c(cc1....
162 6IMY - AJU C17 H24 O8 c1cc2c(cc1....
163 4PWF - PWF C18 H18 O4 COc1cc(ccc....
164 6R66 - JTN C16 H11 Cl2 F O2 c1cc(c(cc1....
165 4PWK - PWK C20 H26 O4 C[C@H](Cc1....
166 6R67 - JTE C17 H17 F O2 Cc1cc(cc(c....
167 4Y9F - MKT C23 H24 O6 CC(=CCc1c(....
168 6SUG - LVB C14 H11 N O4 Cc1ccc(cc1....
169 6SUH - LVE C15 H13 N O5 Cc1ccc(cc1....
170 4PWJ - 30Z C18 H22 O4 C[C@@H](Cc....
171 4Y9C - MKS C24 H26 O6 CC(=CCc1c(....
172 4Y9G - MKU C24 H26 O6 CC(=CCc1c2....
173 4N86 - GBJ C20 H20 O4 CC1(C=Cc2c....
174 4PWG - 0XR C11 H12 O4 CCOC(=O)/C....
175 1KGJ - FL8 C16 H10 Br2 O4 CC1=C(Oc2c....
176 1KGI - T4A C14 H8 I4 O4 c1c(cc(c(c....
177 1IE4 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4V2; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 4V2 1 1
2 4AJ 0.509434 0.7
3 IWT 0.488372 0.829268
Similar Ligands (3D)
Ligand no: 1; Ligand: 4V2; Similar ligands found: 870
No: Ligand Similarity coefficient
1 L22 0.9897
2 HX4 0.9788
3 6TZ 0.9731
4 HQJ 0.9715
5 XDK 0.9706
6 R20 0.9696
7 L5V 0.9662
8 CK2 0.9613
9 1A7 0.9601
10 7VP 0.9570
11 BZE 0.9567
12 CH9 0.9535
13 D3G 0.9500
14 PIY 0.9476
15 PIM 0.9473
16 3QV 0.9469
17 0BP 0.9466
18 F4E 0.9463
19 J9N 0.9462
20 15E 0.9461
21 TT4 0.9457
22 EN1 0.9452
23 0NX 0.9450
24 P80 0.9444
25 0F9 0.9443
26 795 0.9440
27 GZ2 0.9440
28 JG8 0.9427
29 BPY 0.9427
30 A29 0.9425
31 MPV 0.9412
32 ONR 0.9400
33 9R5 0.9398
34 069 0.9397
35 BNL 0.9397
36 J9T 0.9392
37 X48 0.9388
38 MSR 0.9385
39 ZME 0.9382
40 M1Z 0.9360
41 GVG 0.9359
42 BZ2 0.9359
43 J6W 0.9358
44 GVY 0.9354
45 AN3 0.9351
46 4LW 0.9350
47 4XF 0.9346
48 9CA 0.9332
49 FHC 0.9331
50 1IT 0.9329
51 HRM 0.9329
52 9FL 0.9329
53 CK1 0.9325
54 RA7 0.9325
55 BP7 0.9324
56 92G 0.9322
57 1Z6 0.9320
58 PPY 0.9320
59 30G 0.9319
60 KTJ 0.9315
61 2HC 0.9310
62 AY4 0.9298
63 X11 0.9297
64 ESX 0.9291
65 SNU 0.9290
66 4BL 0.9288
67 6QF 0.9282
68 MQN 0.9279
69 TCA 0.9277
70 M5H 0.9274
71 0TU 0.9272
72 FF2 0.9268
73 B1J 0.9267
74 E7S 0.9267
75 VXX 0.9266
76 ITE 0.9266
77 M3E 0.9265
78 HCI 0.9264
79 4BY 0.9259
80 344 0.9259
81 AOT 0.9254
82 ANC 0.9254
83 G14 0.9253
84 XCG 0.9248
85 JCZ 0.9241
86 L03 0.9238
87 5TZ 0.9237
88 PJW 0.9235
89 15N 0.9233
90 2F6 0.9230
91 TZF 0.9229
92 2FQ 0.9229
93 4JQ 0.9229
94 0JD 0.9228
95 HIS 0.9228
96 EWG 0.9228
97 E1T 0.9228
98 PO6 0.9227
99 TMG 0.9226
100 FZM 0.9225
101 CPZ 0.9225
102 3PF 0.9225
103 X0U 0.9224
104 0W1 0.9223
105 4YO 0.9221
106 HA5 0.9219
107 1L5 0.9218
108 6FB 0.9217
109 AJY 0.9216
110 ICB 0.9216
111 YZM 0.9212
112 ALE 0.9209
113 XDE 0.9209
114 97T 0.9209
115 52C 0.9204
116 XIZ 0.9203
117 H4E 0.9203
118 ENO 0.9200
119 D48 0.9200
120 ESI 0.9197
121 NCT 0.9196
122 428 0.9193
123 KJU 0.9193
124 F2W 0.9190
125 C0H 0.9189
126 3ZB 0.9186
127 A5H 0.9185
128 BZJ 0.9185
129 0HN 0.9184
130 46P 0.9184
131 AJV 0.9183
132 7MU 0.9180
133 FCD 0.9179
134 N0Z 0.9178
135 1VK 0.9177
136 5QY 0.9176
137 E35 0.9175
138 6FZ 0.9172
139 5LA 0.9170
140 TJM 0.9168
141 K97 0.9164
142 HIC 0.9160
143 8XL 0.9160
144 J9Q 0.9159
145 4WL 0.9158
146 S60 0.9158
147 6Q3 0.9156
148 FQX 0.9155
149 TYL 0.9154
150 ZYR 0.9154
151 HJH 0.9153
152 N9J 0.9152
153 0HO 0.9152
154 GO2 0.9152
155 9FE 0.9152
156 0FO 0.9150
157 ODK 0.9150
158 0XT 0.9150
159 EGR 0.9150
160 K34 0.9147
161 C9E 0.9147
162 RKV 0.9145
163 LSQ 0.9144
164 6NT 0.9141
165 1F1 0.9140
166 HHI 0.9139
167 M45 0.9138
168 363 0.9138
169 SRO 0.9138
170 G3E 0.9137
171 6RQ 0.9137
172 7MX 0.9135
173 JP2 0.9134
174 J5I 0.9134
175 M3H 0.9133
176 LL1 0.9132
177 3NY 0.9131
178 5NI 0.9131
179 C82 0.9130
180 2ZM 0.9129
181 FC2 0.9128
182 36Y 0.9128
183 45L 0.9128
184 78Y 0.9127
185 9UL 0.9126
186 2HU 0.9126
187 PH2 0.9125
188 ABI 0.9124
189 R2P 0.9121
190 F31 0.9120
191 CFI 0.9120
192 AKG 0.9119
193 CWJ 0.9118
194 GNM 0.9118
195 4ZA 0.9117
196 HBO 0.9117
197 7ZL 0.9117
198 N3W 0.9117
199 PH3 0.9114
200 12T 0.9114
201 7MW 0.9112
202 VM1 0.9111
203 TZM 0.9111
204 4P5 0.9110
205 5GU 0.9110
206 P7Y 0.9110
207 N2I 0.9108
208 8NX 0.9106
209 SE2 0.9106
210 3A9 0.9105
211 6NI 0.9105
212 N2Z 0.9104
213 LNR 0.9103
214 KDV 0.9103
215 5VL 0.9103
216 0LO 0.9102
217 5TY 0.9101
218 ESP 0.9099
219 3R4 0.9099
220 C2Y 0.9098
221 A5E 0.9096
222 N91 0.9095
223 28A 0.9094
224 UNJ 0.9094
225 DHC 0.9094
226 HNK 0.9093
227 36E 0.9091
228 3VQ 0.9091
229 1M2 0.9090
230 OGA 0.9090
231 GF4 0.9089
232 I3E 0.9088
233 4MU 0.9088
234 KTW 0.9088
235 TGX 0.9087
236 4G2 0.9086
237 X0W 0.9083
238 JAW 0.9080
239 6KT 0.9077
240 AMR 0.9076
241 BIK 0.9076
242 N8Y 0.9075
243 LEL 0.9074
244 2K8 0.9074
245 INO 0.9073
246 1HN 0.9073
247 7O4 0.9073
248 92P 0.9071
249 ISZ 0.9068
250 D2G 0.9067
251 DQU 0.9067
252 BGU 0.9065
253 HDH 0.9062
254 PHU 0.9062
255 2BG 0.9060
256 C53 0.9058
257 KUF 0.9057
258 94W 0.9056
259 DPT 0.9054
260 5F5 0.9054
261 D8Q 0.9052
262 2QC 0.9052
263 3VX 0.9052
264 2PK 0.9051
265 FDR 0.9051
266 ANN 0.9050
267 E3X 0.9050
268 PEY 0.9050
269 5F8 0.9050
270 M4T 0.9049
271 QX4 0.9048
272 F4K 0.9048
273 9ZE 0.9047
274 PUE 0.9047
275 4FF 0.9046
276 MXD 0.9045
277 1QP 0.9045
278 55D 0.9045
279 S0D 0.9045
280 ASC 0.9044
281 TPA 0.9043
282 EXD 0.9042
283 QIV 0.9042
284 QUS 0.9041
285 XHP 0.9041
286 JDN 0.9038
287 DDU 0.9038
288 DHB 0.9037
289 CHB 0.9037
290 4I8 0.9036
291 TIU 0.9035
292 6ME 0.9035
293 M83 0.9034
294 DHI 0.9034
295 XIY 0.9033
296 HNL 0.9031
297 OA1 0.9031
298 KMY 0.9031
299 MVN 0.9030
300 CXH 0.9030
301 5FL 0.9029
302 8WO 0.9028
303 4NB 0.9026
304 S2G 0.9026
305 ZZA 0.9025
306 2AL 0.9024
307 6MW 0.9022
308 BHO 0.9021
309 JYB 0.9021
310 2HQ 0.9020
311 8NB 0.9016
312 39O 0.9015
313 1XS 0.9013
314 DE5 0.9011
315 0FR 0.9011
316 FER 0.9011
317 IHB 0.9011
318 R9Y 0.9010
319 NNO 0.9010
320 HNT 0.9009
321 OCZ 0.9008
322 2HO 0.9008
323 833 0.9007
324 8ZE 0.9006
325 JAH 0.9005
326 5H6 0.9005
327 6SD 0.9003
328 173 0.9001
329 FUD 0.9000
330 LJ3 0.8998
331 4HB 0.8998
332 GJP 0.8998
333 BEA 0.8996
334 BQ2 0.8996
335 HL4 0.8995
336 MYJ 0.8995
337 44V 0.8993
338 2O6 0.8990
339 IOS 0.8988
340 68A 0.8988
341 BVA 0.8986
342 SNO 0.8985
343 HHR 0.8981
344 4LV 0.8980
345 4A3 0.8980
346 463 0.8979
347 4VY 0.8978
348 B62 0.8976
349 2HG 0.8976
350 2LY 0.8976
351 TYR 0.8975
352 492 0.8974
353 2PV 0.8973
354 UKV 0.8973
355 Q4G 0.8973
356 BPU 0.8972
357 JMG 0.8972
358 PHE 0.8972
359 93K 0.8970
360 8WT 0.8970
361 5E5 0.8970
362 FK8 0.8970
363 4BZ 0.8969
364 7OD 0.8967
365 PAC 0.8966
366 4RU 0.8965
367 DUR 0.8962
368 56D 0.8962
369 AX3 0.8962
370 60L 0.8961
371 2D2 0.8961
372 4NC 0.8961
373 NIZ 0.8961
374 HNH 0.8958
375 LQ2 0.8957
376 JWS 0.8957
377 PRL 0.8956
378 B21 0.8955
379 HC4 0.8954
380 OTW 0.8953
381 JB8 0.8952
382 RUY 0.8951
383 PRZ 0.8951
384 FHB 0.8951
385 86J 0.8951
386 GZL 0.8949
387 Y3L 0.8948
388 SHI 0.8947
389 AA 0.8945
390 EYV 0.8944
391 7ME 0.8944
392 44W 0.8943
393 TCR 0.8943
394 FBM 0.8941
395 PNZ 0.8940
396 YTX 0.8940
397 3C5 0.8939
398 GOE 0.8939
399 HHS 0.8939
400 6HO 0.8938
401 DNF 0.8938
402 URO 0.8937
403 TB8 0.8937
404 1ZC 0.8931
405 QSB 0.8930
406 0SY 0.8929
407 0FK 0.8928
408 4ME 0.8928
409 N7I 0.8927
410 8D6 0.8925
411 61M 0.8925
412 LT2 0.8925
413 E5X 0.8924
414 6L6 0.8924
415 X6W 0.8923
416 SYV 0.8923
417 DRG 0.8922
418 5XC 0.8922
419 SLS 0.8921
420 Z5P 0.8921
421 ET2 0.8920
422 FMQ 0.8917
423 3HM 0.8917
424 SN4 0.8915
425 2P3 0.8912
426 3J8 0.8912
427 GOJ 0.8912
428 OTR 0.8911
429 1FE 0.8910
430 MAJ 0.8907
431 0N7 0.8905
432 P9P 0.8905
433 TIA 0.8905
434 1WC 0.8902
435 APS 0.8902
436 B4O 0.8902
437 3QM 0.8900
438 ANF 0.8900
439 5GT 0.8898
440 EVF 0.8898
441 X0V 0.8896
442 DCZ 0.8895
443 DEW 0.8895
444 A7H 0.8894
445 V1T 0.8894
446 XX2 0.8893
447 M6Z 0.8893
448 MUK 0.8892
449 27B 0.8891
450 I1E 0.8890
451 S2P 0.8889
452 ES2 0.8889
453 3VS 0.8889
454 268 0.8888
455 ZRK 0.8888
456 PZI 0.8886
457 2FX 0.8886
458 03V 0.8886
459 92K 0.8886
460 8HC 0.8886
461 49P 0.8886
462 JBZ 0.8885
463 W29 0.8884
464 VNL 0.8883
465 9TW 0.8883
466 JLZ 0.8882
467 FBB 0.8881
468 4TU 0.8881
469 HQD 0.8880
470 CWS 0.8880
471 PKU 0.8878
472 SWX 0.8877
473 TRP 0.8877
474 K2T 0.8877
475 URC 0.8877
476 4FH 0.8876
477 GDE 0.8875
478 S7S 0.8875
479 V2Z 0.8875
480 SOR 0.8875
481 COU 0.8874
482 OCH 0.8873
483 B5D 0.8872
484 F9P 0.8870
485 SKM 0.8870
486 CLW 0.8870
487 GCO 0.8870
488 HNM 0.8869
489 ROI 0.8869
490 CKA 0.8869
491 K7H 0.8869
492 MPK 0.8868
493 H42 0.8868
494 MD6 0.8866
495 L99 0.8865
496 DIN 0.8865
497 GLO 0.8864
498 GO8 0.8863
499 1P8 0.8863
500 GAB 0.8862
501 DPN 0.8862
502 28B 0.8861
503 5GV 0.8861
504 AH9 0.8861
505 14W 0.8860
506 CXP 0.8860
507 DMD 0.8859
508 GLN 0.8859
509 VGD 0.8857
510 36R 0.8856
511 DAH 0.8856
512 3TC 0.8856
513 GT4 0.8855
514 NFA 0.8850
515 CNI 0.8850
516 OVM 0.8850
517 2AQ 0.8849
518 S7A 0.8849
519 BZ3 0.8848
520 28N 0.8848
521 5OB 0.8847
522 QMP 0.8847
523 ES5 0.8847
524 OQC 0.8847
525 MMJ 0.8846
526 JGB 0.8846
527 UFO 0.8846
528 RNO 0.8845
529 IAC 0.8843
530 DX3 0.8842
531 DHY 0.8842
532 B40 0.8842
533 WUB 0.8840
534 3ID 0.8839
535 ICO 0.8839
536 JF6 0.8836
537 M4E 0.8835
538 36M 0.8833
539 HFA 0.8833
540 NDG 0.8832
541 YOF 0.8832
542 4FS 0.8832
543 CIY 0.8830
544 DGL 0.8830
545 N1E 0.8829
546 THA 0.8827
547 U7E 0.8826
548 AL0 0.8826
549 AZ9 0.8825
550 SHA 0.8824
551 PCS 0.8824
552 MUA 0.8823
553 PD2 0.8822
554 E0O 0.8821
555 3D8 0.8818
556 XI7 0.8818
557 HGA 0.8814
558 DGN 0.8814
559 7WR 0.8813
560 GWM 0.8812
561 OVV 0.8811
562 549 0.8809
563 3Y7 0.8809
564 WSD 0.8809
565 BNF 0.8808
566 S98 0.8807
567 P81 0.8805
568 EA1 0.8805
569 BPN 0.8801
570 LDP 0.8801
571 GNV 0.8801
572 8U3 0.8801
573 JRB 0.8800
574 JTA 0.8796
575 JB5 0.8796
576 SKF 0.8795
577 5RO 0.8795
578 QR2 0.8795
579 P9E 0.8794
580 50C 0.8794
581 6DP 0.8794
582 A7W 0.8793
583 1KP 0.8793
584 4GU 0.8793
585 OMD 0.8792
586 KYN 0.8792
587 1P7 0.8791
588 KYA 0.8791
589 HPS 0.8790
590 OW4 0.8790
591 2AK 0.8789
592 3AE 0.8788
593 G12 0.8787
594 4NM 0.8786
595 B85 0.8785
596 KMH 0.8784
597 8W9 0.8780
598 D1G 0.8780
599 XQ0 0.8778
600 KW8 0.8778
601 TSS 0.8778
602 GLU 0.8777
603 CLZ 0.8777
604 NF3 0.8775
605 XAZ 0.8775
606 ZHA 0.8774
607 EQW 0.8773
608 TAG 0.8773
609 MRW 0.8773
610 5VM 0.8773
611 3AB 0.8772
612 2JX 0.8770
613 TIY 0.8769
614 HSO 0.8768
615 LTT 0.8767
616 3HB 0.8767
617 Q71 0.8765
618 TWO 0.8764
619 JA8 0.8764
620 4CS 0.8763
621 4AU 0.8761
622 PRA 0.8760
623 IA2 0.8760
624 NAG 0.8759
625 SD4 0.8759
626 GJK 0.8758
627 SSB 0.8758
628 K7M 0.8758
629 M4N 0.8757
630 N2M 0.8756
631 II4 0.8755
632 XRS 0.8752
633 ZEC 0.8751
634 MS9 0.8751
635 75K 0.8751
636 CSN 0.8750
637 S0E 0.8750
638 6J9 0.8750
639 F9Y 0.8749
640 8CC 0.8744
641 2WU 0.8740
642 4ZF 0.8739
643 KT7 0.8738
644 9NB 0.8737
645 7I2 0.8737
646 2GQ 0.8736
647 2JK 0.8735
648 WS7 0.8735
649 3NT 0.8734
650 QBK 0.8734
651 EV0 0.8734
652 QWN 0.8734
653 AHN 0.8734
654 EQA 0.8733
655 IQ5 0.8733
656 4SX 0.8733
657 PDC 0.8733
658 RAT 0.8731
659 8TX 0.8730
660 GNY 0.8730
661 JR2 0.8730
662 5VU 0.8728
663 LGT 0.8727
664 53C 0.8727
665 PQ0 0.8726
666 H70 0.8726
667 3AL 0.8726
668 8OZ 0.8725
669 4JT 0.8725
670 LDC 0.8725
671 I2E 0.8723
672 QSH 0.8723
673 KLS 0.8722
674 H7Y 0.8719
675 2UZ 0.8718
676 EKZ 0.8716
677 3PG 0.8715
678 4Z4 0.8714
679 2J1 0.8714
680 YE7 0.8712
681 3VW 0.8710
682 3MB 0.8710
683 3HP 0.8710
684 EOU 0.8709
685 IFP 0.8709
686 LO1 0.8709
687 IOP 0.8708
688 4NZ 0.8708
689 9AP 0.8707
690 1X4 0.8705
691 F12 0.8705
692 Q02 0.8705
693 AWE 0.8704
694 KLE 0.8702
695 5OO 0.8701
696 ODO 0.8701
697 LR5 0.8701
698 PHB 0.8700
699 YE6 0.8700
700 7R4 0.8700
701 DXK 0.8699
702 5RN 0.8699
703 3XH 0.8698
704 2JM 0.8697
705 SG2 0.8697
706 5WV 0.8697
707 DHK 0.8696
708 717 0.8693
709 259 0.8692
710 6J5 0.8689
711 1AL 0.8688
712 IV2 0.8688
713 AES 0.8688
714 M2K 0.8686
715 NPO 0.8684
716 PAB 0.8684
717 NMJ 0.8683
718 L13 0.8682
719 HNE 0.8682
720 6ZW 0.8680
721 UN1 0.8680
722 HSX 0.8680
723 DHR 0.8679
724 PBN 0.8678
725 DOB 0.8677
726 RP3 0.8677
727 0P6 0.8677
728 5B1 0.8677
729 OK7 0.8676
730 MR6 0.8675
731 QXW 0.8675
732 TU0 0.8673
733 H5B 0.8673
734 CCV 0.8672
735 PBZ 0.8671
736 ZYQ 0.8670
737 ZEA 0.8670
738 4AA 0.8670
739 BRT 0.8667
740 WCE 0.8666
741 2B4 0.8665
742 1XA 0.8665
743 M4S 0.8665
744 ABF 0.8664
745 LDR 0.8664
746 F02 0.8663
747 LUM 0.8663
748 K48 0.8662
749 THM 0.8660
750 LLH 0.8658
751 UFV 0.8657
752 APG 0.8657
753 S7J 0.8654
754 ORO 0.8653
755 HBD 0.8653
756 8CM 0.8653
757 GB5 0.8653
758 N4E 0.8653
759 PQK 0.8652
760 AMQ 0.8651
761 LFQ 0.8650
762 DNQ 0.8650
763 5JQ 0.8650
764 NK5 0.8648
765 THU 0.8646
766 RD4 0.8646
767 LR8 0.8646
768 X6P 0.8644
769 5XB 0.8642
770 JF2 0.8641
771 3BZ 0.8637
772 JND 0.8637
773 I3A 0.8634
774 5TT 0.8631
775 CFA 0.8631
776 TOF 0.8629
777 KJH 0.8629
778 FBF 0.8629
779 5RP 0.8628
780 0UL 0.8628
781 BTY 0.8627
782 LFC 0.8626
783 AX7 0.8625
784 HG3 0.8624
785 1FL 0.8621
786 DE3 0.8621
787 49O 0.8620
788 9FG 0.8620
789 MOK 0.8619
790 12Q 0.8619
791 PBQ 0.8618
792 LVD 0.8616
793 1PS 0.8614
794 Q9T 0.8612
795 BIO 0.8611
796 5HN 0.8610
797 ES7 0.8609
798 KKN 0.8608
799 2J2 0.8605
800 E1K 0.8604
801 P72 0.8602
802 MR1 0.8602
803 AJ1 0.8602
804 XFE 0.8601
805 5AD 0.8601
806 FTV 0.8600
807 NDH 0.8600
808 ABV 0.8599
809 5JL 0.8599
810 3W8 0.8598
811 1AJ 0.8597
812 B55 0.8596
813 826 0.8596
814 7W1 0.8595
815 B2J 0.8594
816 4FE 0.8594
817 209 0.8594
818 51R 0.8593
819 FBW 0.8593
820 SZ7 0.8592
821 OKG 0.8590
822 1Y6 0.8590
823 AJ2 0.8589
824 3HA 0.8588
825 MIL 0.8588
826 DK1 0.8586
827 SEP 0.8586
828 PBA 0.8586
829 FA0 0.8585
830 ALA ALA 0.8584
831 PPT 0.8584
832 P4L 0.8584
833 9B3 0.8583
834 RQD 0.8583
835 0XR 0.8581
836 D9Z 0.8580
837 F69 0.8578
838 4HC 0.8577
839 BHA 0.8576
840 152 0.8574
841 ZIQ 0.8574
842 BRH 0.8572
843 HJ7 0.8572
844 JF1 0.8570
845 80G 0.8569
846 EUE 0.8568
847 OW7 0.8567
848 HQT 0.8565
849 SYR 0.8563
850 MNP 0.8563
851 WS6 0.8562
852 AQO 0.8561
853 C4E 0.8560
854 6R8 0.8558
855 5QX 0.8556
856 5WT 0.8552
857 4KL 0.8552
858 APZ 0.8551
859 SMN 0.8550
860 M5K 0.8550
861 4M0 0.8549
862 L15 0.8546
863 PE0 0.8543
864 8GC 0.8541
865 QMR 0.8540
866 9LI 0.8536
867 WVV 0.8530
868 E4P 0.8530
869 RMN 0.8522
870 AZ8 0.8522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TCT; Ligand: 3MI; 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: 3tct.bio1) has 91 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3TCT; Ligand: 3MI; 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: 3tct.bio1) has 91 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3TCT; Ligand: 3MI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3tct.bio1) has 91 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3TCT; Ligand: 3MI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3tct.bio1) has 91 residues
No: Leader PDB Ligand