Receptor
PDB id Resolution Class Description Source Keywords
5L4M 1.58 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF HUMAN TRANSTHYRETIN IN COMPLEX WITH 3,5 TRICHLORO-2-PYRIDINYLOXYACETIC ACID (TRICLOPYR) HOMO SAPIENS TRANSPORT PROTEIN THYROXINE BINDING 3 5 6-TRICHLORO-2- PYRIDINYLOXYACETIC ACID (TRICLOPYR) COMPLEX
Ref.: STRUCTURE-BASED VIRTUAL SCREENING PROTOCOL FOR IN S IDENTIFICATION OF POTENTIAL THYROID DISRUPTING CHEM TARGETING TRANSTHYRETIN. ENVIRON. SCI. TECHNOL. V. 50 11984 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:202;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
SBK B:201;
A:201;
 Valid;
Valid;
 none;
none;
 Kd = 4.6 uM
256.471 C7 H4 Cl3 N O3 c1c(c...
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: SBK; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SBK 1 1
2 F52 0.408163 0.692308
Similar Ligands (3D)
Ligand no: 1; Ligand: SBK; Similar ligands found: 544
No: Ligand Similarity coefficient
1 AMR 0.9502
2 CFA 0.9447
3 P7Y 0.9445
4 DHY 0.9439
5 DHC 0.9415
6 3C4 0.9390
7 OMD 0.9386
8 I2E 0.9385
9 MNP 0.9384
10 FWD 0.9357
11 6HP 0.9353
12 3EB 0.9352
13 NFM 0.9349
14 S0W 0.9346
15 G6P 0.9333
16 PPT 0.9330
17 AHC 0.9325
18 HQ9 0.9323
19 HPP 0.9309
20 IAC 0.9294
21 7MX 0.9293
22 IWD 0.9291
23 CWD 0.9289
24 BWD 0.9286
25 MP5 0.9269
26 TSR 0.9250
27 HHT 0.9247
28 MQB 0.9246
29 F06 0.9224
30 HC4 0.9224
31 NVU 0.9216
32 IOS 0.9216
33 4KL 0.9214
34 MMS 0.9204
35 EYY 0.9203
36 57O 0.9200
37 2FY 0.9198
38 S24 0.9197
39 K82 0.9196
40 M3Q 0.9195
41 NQH 0.9189
42 ONR 0.9184
43 IOP 0.9180
44 2HC 0.9179
45 61M 0.9175
46 JXK 0.9173
47 QH3 0.9170
48 X04 0.9167
49 LDP 0.9156
50 8U3 0.9153
51 ITW 0.9152
52 TRP 0.9149
53 PMP 0.9147
54 ARP 0.9143
55 APS 0.9142
56 PLP 0.9135
57 ZON 0.9125
58 UAN 0.9122
59 42J 0.9122
60 SRO 0.9122
61 HWD 0.9122
62 4R1 0.9115
63 NAG 0.9113
64 23J 0.9106
65 AAN 0.9105
66 QMS 0.9100
67 DAH 0.9100
68 GZQ 0.9098
69 8XL 0.9096
70 TQU 0.9092
71 5WU 0.9090
72 TYE 0.9089
73 FPL 0.9088
74 JYT 0.9086
75 BG6 0.9086
76 NLA 0.9085
77 STT 0.9082
78 9KH 0.9081
79 CLU 0.9081
80 ALE 0.9079
81 OQC 0.9078
82 9BF 0.9077
83 PLR 0.9076
84 JYK 0.9074
85 S3C 0.9074
86 TZM 0.9070
87 BB4 0.9067
88 9R5 0.9065
89 92K 0.9064
90 F5C 0.9062
91 0LH 0.9059
92 NPL 0.9058
93 TYR 0.9058
94 TSS 0.9053
95 IYR 0.9050
96 8GK 0.9049
97 XDE 0.9047
98 MS9 0.9046
99 5WN 0.9040
100 BK9 0.9040
101 EXR 0.9039
102 LSQ 0.9039
103 2SX 0.9038
104 0F9 0.9033
105 EGR 0.9033
106 DTR 0.9033
107 XIZ 0.9032
108 790 0.9030
109 ODO 0.9030
110 15A 0.9029
111 EYJ 0.9028
112 89J 0.9027
113 G1P 0.9027
114 H7Y 0.9026
115 4TU 0.9024
116 9F8 0.9015
117 LTN 0.9012
118 EY7 0.9012
119 92P 0.9008
120 ABF 0.9006
121 4XS 0.9005
122 BY5 0.9003
123 NBG 0.9001
124 M5H 0.8999
125 4XV 0.8998
126 AC2 0.8997
127 YIH 0.8996
128 OHP 0.8995
129 TLM 0.8995
130 15N 0.8994
131 5O5 0.8989
132 BPY 0.8986
133 HPT 0.8985
134 EOL 0.8984
135 PO6 0.8984
136 NBV 0.8983
137 RVE 0.8979
138 FA6 0.8979
139 C2Y 0.8978
140 BRH 0.8977
141 CH9 0.8977
142 HA7 0.8976
143 FTV 0.8976
144 ENO 0.8975
145 CIP 0.8975
146 6DP 0.8975
147 263 0.8973
148 EXL 0.8972
149 CR1 0.8972
150 4ME 0.8971
151 4HP 0.8971
152 535 0.8969
153 CH8 0.8969
154 EPR 0.8968
155 4BX 0.8968
156 PZP 0.8967
157 A9P 0.8967
158 NPA 0.8966
159 4I8 0.8966
160 6VD 0.8961
161 ASC 0.8961
162 JYW 0.8961
163 EN1 0.8961
164 2UD 0.8960
165 PXP 0.8958
166 S8D 0.8955
167 EYV 0.8955
168 1XA 0.8955
169 512 0.8953
170 6J9 0.8953
171 ONZ 0.8953
172 H4E 0.8951
173 SHA 0.8950
174 ICO 0.8947
175 YOF 0.8945
176 PRZ 0.8945
177 DEE 0.8944
178 54Z 0.8943
179 F90 0.8942
180 4Z9 0.8940
181 4OG 0.8939
182 2K8 0.8939
183 GRX 0.8939
184 C9E 0.8938
185 XEN 0.8934
186 HCI 0.8934
187 SDF 0.8931
188 3IL 0.8930
189 LL1 0.8929
190 YPN 0.8928
191 LTM 0.8927
192 PPY 0.8926
193 YTX 0.8926
194 3LJ 0.8926
195 MJ5 0.8925
196 YIE 0.8924
197 54X 0.8923
198 EUH 0.8923
199 1A7 0.8923
200 86L 0.8921
201 LNR 0.8920
202 AEH 0.8917
203 2LY 0.8917
204 P80 0.8915
205 K3Q 0.8913
206 S3B 0.8913
207 YF3 0.8912
208 657 0.8908
209 XQI 0.8907
210 KP6 0.8906
211 JY2 0.8906
212 A9O 0.8905
213 1QP 0.8903
214 6J5 0.8903
215 4VS 0.8902
216 96Z 0.8901
217 YO5 0.8899
218 4VY 0.8898
219 3TC 0.8898
220 VXX 0.8898
221 CTE 0.8897
222 JF1 0.8892
223 GDL 0.8892
224 EMZ 0.8892
225 JTH 0.8891
226 LIP 0.8889
227 2UB 0.8887
228 RD4 0.8883
229 KED 0.8883
230 0FR 0.8882
231 ICB 0.8881
232 1SS 0.8879
233 4BF 0.8877
234 7ZC 0.8877
235 9FQ 0.8877
236 PHE 0.8877
237 7FF 0.8875
238 A1Y 0.8872
239 A7H 0.8870
240 JR2 0.8869
241 KG1 0.8867
242 BPW 0.8867
243 NWD 0.8867
244 A29 0.8866
245 MS0 0.8866
246 I4D 0.8866
247 PHI 0.8865
248 EV3 0.8864
249 2CZ 0.8864
250 PFF 0.8863
251 B41 0.8863
252 14W 0.8863
253 DTY 0.8862
254 PYU 0.8861
255 OW7 0.8860
256 X1P 0.8860
257 BCK 0.8856
258 L13 0.8855
259 D07 0.8855
260 P84 0.8854
261 FT6 0.8854
262 BQ2 0.8854
263 SYE 0.8853
264 HHH 0.8853
265 LTT 0.8853
266 NGA 0.8852
267 BGP 0.8852
268 33S 0.8852
269 2LT 0.8852
270 MIG 0.8851
271 JXZ 0.8851
272 HLP 0.8850
273 3HP 0.8847
274 LZB 0.8847
275 BGC 0.8847
276 I59 0.8846
277 SYR 0.8844
278 N3W 0.8843
279 5OF 0.8843
280 TOM 0.8842
281 2F6 0.8840
282 9UL 0.8840
283 CCV 0.8839
284 QUS 0.8836
285 2CL 0.8836
286 OX2 0.8835
287 3RI 0.8833
288 L21 0.8833
289 5WZ 0.8832
290 BM3 0.8832
291 BCU 0.8831
292 TT4 0.8830
293 505 0.8828
294 MAG 0.8824
295 9GP 0.8823
296 F69 0.8822
297 52C 0.8822
298 PH3 0.8820
299 TYL 0.8818
300 Z5P 0.8816
301 KTA 0.8815
302 NGT 0.8815
303 IFG 0.8814
304 5WY 0.8813
305 HJH 0.8812
306 HJ8 0.8809
307 091 0.8806
308 GZL 0.8805
309 T9G 0.8805
310 JXT 0.8805
311 8OB 0.8804
312 K68 0.8803
313 EYA 0.8802
314 9VQ 0.8801
315 1VK 0.8800
316 P0P 0.8799
317 6HO 0.8799
318 MPK 0.8798
319 2LP 0.8795
320 TOH 0.8789
321 30G 0.8789
322 3SU 0.8787
323 R9S 0.8787
324 3VW 0.8787
325 DC5 0.8784
326 PW1 0.8783
327 0OL 0.8783
328 AIN 0.8782
329 GPM 0.8782
330 J4K 0.8780
331 TTY 0.8778
332 XFE 0.8777
333 PQZ 0.8776
334 NCT 0.8775
335 6FZ 0.8774
336 C53 0.8773
337 S7B 0.8772
338 HFA 0.8772
339 ISA 0.8771
340 PBA 0.8769
341 HIS 0.8769
342 NDG 0.8767
343 0QW 0.8766
344 1LN 0.8765
345 1SV 0.8765
346 78U 0.8763
347 Q6T 0.8763
348 GLO 0.8762
349 N2Z 0.8762
350 MYI 0.8762
351 2UZ 0.8761
352 IBM 0.8757
353 5MD 0.8755
354 GCO 0.8754
355 4Z1 0.8754
356 GT1 0.8753
357 SLY 0.8752
358 SR4 0.8747
359 5GU 0.8747
360 CK2 0.8746
361 FUD 0.8745
362 SOR 0.8745
363 ZZZ 0.8745
364 TXW 0.8743
365 CSN 0.8743
366 0A1 0.8742
367 49O 0.8741
368 NGO 0.8741
369 CMU 0.8740
370 DEW 0.8739
371 8RK 0.8739
372 R2P 0.8739
373 JHY 0.8738
374 L46 0.8737
375 B62 0.8737
376 BEU 0.8736
377 S2P 0.8736
378 FHC 0.8736
379 QIF 0.8734
380 AMQ 0.8733
381 4A5 0.8732
382 HXY 0.8731
383 94E 0.8731
384 XI7 0.8731
385 DPN 0.8730
386 DTE 0.8729
387 8OZ 0.8729
388 5RN 0.8728
389 HDH 0.8727
390 DJN 0.8726
391 YRL 0.8726
392 8WT 0.8726
393 AEF 0.8725
394 B3U 0.8725
395 AVO 0.8725
396 LYL 0.8725
397 HMQ 0.8725
398 NIY 0.8724
399 B2Y 0.8723
400 FP1 0.8723
401 GP1 0.8723
402 1BN 0.8722
403 36M 0.8722
404 QPR 0.8720
405 FMQ 0.8720
406 GAL 0.8717
407 TCR 0.8716
408 GLC 0.8715
409 F95 0.8715
410 A2G 0.8714
411 NOK 0.8712
412 GTR 0.8712
413 TYC 0.8708
414 FK8 0.8708
415 SAF 0.8706
416 EXG 0.8706
417 AY4 0.8706
418 SNG 0.8705
419 327 0.8704
420 39Z 0.8703
421 O2Y 0.8703
422 4AV 0.8702
423 TAG 0.8702
424 AKH 0.8702
425 SDD 0.8702
426 5NE 0.8700
427 W8G 0.8699
428 LGC 0.8699
429 AEG 0.8698
430 PRY 0.8698
431 MES 0.8695
432 F34 0.8695
433 8OE 0.8695
434 KDG 0.8693
435 3R6 0.8692
436 GTV 0.8692
437 JZ4 0.8690
438 3CR 0.8688
439 6Q3 0.8687
440 HNL 0.8687
441 SMN 0.8687
442 OTR 0.8686
443 HJ7 0.8683
444 BSX 0.8682
445 RBJ 0.8681
446 M0W 0.8681
447 CPW 0.8679
448 JFJ 0.8679
449 LT8 0.8677
450 PSJ 0.8677
451 UA5 0.8676
452 N2Y 0.8676
453 E4P 0.8673
454 42C 0.8672
455 GV9 0.8672
456 268 0.8671
457 261 0.8671
458 9RW 0.8670
459 JV4 0.8670
460 9B3 0.8669
461 LGT 0.8668
462 CX4 0.8668
463 S7G 0.8667
464 APG 0.8667
465 KDO 0.8662
466 ISD 0.8662
467 B5A 0.8659
468 4CF 0.8656
469 RQD 0.8655
470 T6Z 0.8652
471 AJD 0.8651
472 E35 0.8650
473 I3E 0.8649
474 772 0.8648
475 EYM 0.8645
476 ZIQ 0.8644
477 GXY 0.8641
478 2KU 0.8638
479 1FD 0.8637
480 TNX 0.8637
481 2ZQ 0.8637
482 AKD 0.8636
483 C8O 0.8636
484 1FF 0.8632
485 YI6 0.8632
486 QM1 0.8632
487 HL4 0.8631
488 TWB 0.8631
489 OA3 0.8631
490 61O 0.8630
491 BHS 0.8629
492 YKG 0.8629
493 GL1 0.8629
494 GLN 0.8628
495 1N4 0.8628
496 6XI 0.8627
497 27L 0.8627
498 AM1 0.8626
499 NAL 0.8626
500 NYL 0.8625
501 GRO 0.8625
502 SBI 0.8623
503 173 0.8622
504 9W5 0.8620
505 SHG 0.8620
506 M6H 0.8619
507 4FA 0.8619
508 1WC 0.8619
509 AS3 0.8617
510 ZZ2 0.8617
511 692 0.8617
512 CP7 0.8616
513 46P 0.8616
514 OA1 0.8616
515 264 0.8614
516 CIT 0.8613
517 E9P 0.8611
518 RMN 0.8609
519 7CT 0.8609
520 JRB 0.8607
521 3IB 0.8604
522 GFP 0.8604
523 BP6 0.8603
524 NCV 0.8600
525 K2P 0.8596
526 0XR 0.8595
527 EV0 0.8593
528 FNA 0.8589
529 069 0.8587
530 UEG 0.8575
531 3B4 0.8571
532 R9J 0.8571
533 PRF 0.8568
534 GLA 0.8563
535 PF1 0.8552
536 Q9Z 0.8551
537 A6H 0.8550
538 HNK 0.8549
539 258 0.8549
540 2H5 0.8548
541 EDR 0.8538
542 OVP 0.8537
543 GVG 0.8535
544 L99 0.8526
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 Sequence Similarity
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