-->
Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3MI A:128;
B:128;
Valid;
Valid;
none;
none;
Kd = 2 nM
308.116 C14 H7 Cl2 N O3 c1cc2...
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 (139)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 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 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
6 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
7 5AKV - G7G C21 H18 O11 c1cc(ccc1C....
8 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
9 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
10 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
11 4DER ic50 = 10.3 uM AGI C15 H10 O5 c1cc(ccc1C....
12 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
13 5L4M Kd = 4.6 uM SBK C7 H4 Cl3 N O3 c1c(c(nc(c....
14 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
15 6GRP Kd = 3.34 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
16 5AKS - R3X C20 H20 O9 c1cc(ccc1/....
17 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
18 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
19 4HIQ Kd = 193 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
20 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
21 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
22 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
23 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
24 3TCT Kd = 2 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
25 5E23 - L32 C15 H9 Br2 N O3 c1cc-2c(cc....
26 4QYA - LU2 C15 H10 O6 c1cc(c(cc1....
27 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
28 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
29 4HIS Kd = 247 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
30 5AKT - R4G C20 H20 O9 c1cc(ccc1/....
31 5L4J Kd = 52 uM 6JD C12 H10 O4 S c1cc(ccc1O....
32 5CR1 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
33 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
34 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
35 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
36 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
37 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
38 5EZP - IPJ C15 H12 O2 c1ccc(cc1)....
39 3D2T Kd = 1100 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
40 4D7B Kd = 58 nM TCW C14 H11 N O5 Cc1ccc(cc1....
41 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
42 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
43 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
44 4TQH - ES8 C15 H11 N O3 c1ccc2c(c1....
45 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
46 5IHH Kd = 390 nM 6B5 C16 H12 O6 COc1cc(c2c....
47 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
48 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
49 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
50 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
51 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
52 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
53 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
54 6GR7 Kd = 3.19 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
55 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
56 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
57 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
58 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
59 5TZL - IIH C13 H6 Cl I2 N O2 c1cc2c(c(c....
60 4TQI - 6BD C17 H15 N O3 C[C@@H](CO....
61 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
62 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
63 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
64 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
65 4WNJ - QUE C15 H10 O7 c1cc(c(cc1....
66 5AL0 - R3S C14 H12 O6 S c1cc(ccc1/....
67 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
68 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
69 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
70 5L4I Kd = 0.26 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
71 4WNS - 3RL C16 H16 O3 COc1cc(cc(....
72 4YDN - 4B8 C14 H8 Cl2 N2 O3 c1cc(ccc1c....
73 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
74 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
75 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
76 4TQ8 - 7BD C16 H13 N O3 c1ccc2c(c1....
77 4PME - CUR C21 H20 O6 COc1cc(ccc....
78 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
79 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
80 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
81 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
82 5E4O - L57 C15 H11 Cl2 N O3 c1ccc(cc1)....
83 1TYR Kd = 0.1 uM REA C20 H28 O2 CC1=C(C(CC....
84 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
85 5HJG Kd = 20 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
86 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
87 4DEU ic50 = 12.39 uM NAR C15 H12 O5 c1cc(ccc1[....
88 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
89 4QXV - LU2 C15 H10 O6 c1cc(c(cc1....
90 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
91 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
92 5A6I Kd = 56 nM TCW C14 H11 N O5 Cc1ccc(cc1....
93 5L4F Kd = 1.3 uM 6J1 C7 H6 N2 O5 Cc1cc(c(c(....
94 4TQP - 48R C18 H18 N2 O4 S C[C@H](CON....
95 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
96 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
97 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
98 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
99 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
100 5JIQ - 27M C13 H10 O5 c1cc(c(cc1....
101 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
102 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
103 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
104 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
105 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
106 5E4A - 5JW C15 H9 Cl2 N O3 c1cc-2c(cc....
107 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
108 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
109 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
110 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
111 5EN3 Kd = 620 nM 7LU C15 H9 Cl O5 c1cc(c(cc1....
112 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
113 4DET ic50 = 8.26 uM KMP C15 H10 O6 c1cc(ccc1C....
114 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
115 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
116 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
117 5BOJ Kd = 100 nM 4TX C15 H22 O3 Cc1ccc(c(c....
118 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
119 4WO0 - AGI C15 H10 O5 c1cc(ccc1C....
120 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
121 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
122 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
123 5AL8 - D75 C21 H18 O10 c1cc(ccc1C....
124 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
125 1DVS - STL C14 H12 O3 c1cc(ccc1C....
126 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
127 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
128 4YDM - 4AJ C14 H8 Cl2 N2 O3 c1cc(cc(c1....
129 4PMF - CUR C21 H20 O6 COc1cc(ccc....
130 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
131 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
132 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
133 4DES ic50 = 12.16 uM 57D C15 H10 O4 c1ccc(cc1)....
134 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
135 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
136 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
137 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
138 4DEW ic50 = 6.38 uM LU2 C15 H10 O6 c1cc(c(cc1....
139 4Y9E - MKT C23 H24 O6 CC(=CCc1c(....
70% Homology Family (164)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 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 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
6 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
7 5AKV - G7G C21 H18 O11 c1cc(ccc1C....
8 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
9 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
10 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
11 4DER ic50 = 10.3 uM AGI C15 H10 O5 c1cc(ccc1C....
12 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
13 5L4M Kd = 4.6 uM SBK C7 H4 Cl3 N O3 c1c(c(nc(c....
14 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
15 6GRP Kd = 3.34 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
16 5AKS - R3X C20 H20 O9 c1cc(ccc1/....
17 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
18 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
19 4HIQ Kd = 193 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
20 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
21 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
22 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
23 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
24 3TCT Kd = 2 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
25 5E23 - L32 C15 H9 Br2 N O3 c1cc-2c(cc....
26 4QYA - LU2 C15 H10 O6 c1cc(c(cc1....
27 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
28 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
29 4HIS Kd = 247 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
30 5AKT - R4G C20 H20 O9 c1cc(ccc1/....
31 5L4J Kd = 52 uM 6JD C12 H10 O4 S c1cc(ccc1O....
32 5CR1 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
33 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
34 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
35 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
36 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
37 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
38 5EZP - IPJ C15 H12 O2 c1ccc(cc1)....
39 3D2T Kd = 1100 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
40 4D7B Kd = 58 nM TCW C14 H11 N O5 Cc1ccc(cc1....
41 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
42 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
43 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
44 4TQH - ES8 C15 H11 N O3 c1ccc2c(c1....
45 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
46 5IHH Kd = 390 nM 6B5 C16 H12 O6 COc1cc(c2c....
47 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
48 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
49 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
50 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
51 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
52 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
53 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
54 6GR7 Kd = 3.19 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
55 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
56 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
57 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
58 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
59 5TZL - IIH C13 H6 Cl I2 N O2 c1cc2c(c(c....
60 4TQI - 6BD C17 H15 N O3 C[C@@H](CO....
61 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
62 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
63 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
64 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
65 4WNJ - QUE C15 H10 O7 c1cc(c(cc1....
66 5AL0 - R3S C14 H12 O6 S c1cc(ccc1/....
67 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
68 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
69 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
70 5L4I Kd = 0.26 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
71 4WNS - 3RL C16 H16 O3 COc1cc(cc(....
72 4YDN - 4B8 C14 H8 Cl2 N2 O3 c1cc(ccc1c....
73 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
74 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
75 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
76 4TQ8 - 7BD C16 H13 N O3 c1ccc2c(c1....
77 4PME - CUR C21 H20 O6 COc1cc(ccc....
78 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
79 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
80 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
81 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
82 5E4O - L57 C15 H11 Cl2 N O3 c1ccc(cc1)....
83 1TYR Kd = 0.1 uM REA C20 H28 O2 CC1=C(C(CC....
84 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
85 5HJG Kd = 20 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
86 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
87 4DEU ic50 = 12.39 uM NAR C15 H12 O5 c1cc(ccc1[....
88 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
89 4QXV - LU2 C15 H10 O6 c1cc(c(cc1....
90 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
91 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
92 5A6I Kd = 56 nM TCW C14 H11 N O5 Cc1ccc(cc1....
93 5L4F Kd = 1.3 uM 6J1 C7 H6 N2 O5 Cc1cc(c(c(....
94 4TQP - 48R C18 H18 N2 O4 S C[C@H](CON....
95 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
96 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
97 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
98 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
99 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
100 5JIQ - 27M C13 H10 O5 c1cc(c(cc1....
101 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
102 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
103 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
104 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
105 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
106 5E4A - 5JW C15 H9 Cl2 N O3 c1cc-2c(cc....
107 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
108 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
109 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
110 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
111 5EN3 Kd = 620 nM 7LU C15 H9 Cl O5 c1cc(c(cc1....
112 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
113 4DET ic50 = 8.26 uM KMP C15 H10 O6 c1cc(ccc1C....
114 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
115 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
116 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
117 5BOJ Kd = 100 nM 4TX C15 H22 O3 Cc1ccc(c(c....
118 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
119 4WO0 - AGI C15 H10 O5 c1cc(ccc1C....
120 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
121 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
122 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
123 5AL8 - D75 C21 H18 O10 c1cc(ccc1C....
124 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
125 1DVS - STL C14 H12 O3 c1cc(ccc1C....
126 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
127 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
128 4YDM - 4AJ C14 H8 Cl2 N2 O3 c1cc(cc(c1....
129 4PMF - CUR C21 H20 O6 COc1cc(ccc....
130 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
131 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
132 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
133 4DES ic50 = 12.16 uM 57D C15 H10 O4 c1ccc(cc1)....
134 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
135 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
136 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
137 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
138 4DEW ic50 = 6.38 uM LU2 C15 H10 O6 c1cc(c(cc1....
139 4Y9E - MKT C23 H24 O6 CC(=CCc1c(....
140 6GNR Kd = 3.61 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
141 1SN5 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
142 1SN0 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
143 6GNM Kd = 54.61 uM 27M C13 H10 O5 c1cc(c(cc1....
144 6GOO Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
145 6GNP Kd = 28.41 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
146 6GNW Kd = 10.2 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
147 6GON Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
148 4PWI - ROA C18 H16 O8 c1cc(c(cc1....
149 4PWF - PWF C18 H18 O4 COc1cc(ccc....
150 4PWK - PWK C20 H26 O4 C[C@H](Cc1....
151 4Y9F - MKT C23 H24 O6 CC(=CCc1c(....
152 4PWJ - 30Z C18 H22 O4 C[C@@H](Cc....
153 4Y9C - MKS C24 H26 O6 CC(=CCc1c(....
154 4Y9G - MKU C24 H26 O6 CC(=CCc1c2....
155 4N86 - GBJ C20 H20 O4 CC1(C=Cc2c....
156 4PWG - 0XR C11 H12 O4 CCOC(=O)/C....
157 5AYT Ki = 0.17 uM L6Y C19 H11 N O4 c1ccc(cc1)....
158 4Y9B - MKS C24 H26 O6 CC(=CCc1c(....
159 4QRF - QAP C17 H16 O4 c1ccc(cc1)....
160 4N87 - GBJ C20 H20 O4 CC1(C=Cc2c....
161 4PWH - PWH C14 H16 O4 CC(=CCOC(=....
162 1KGJ - FL8 C16 H10 Br2 O4 CC1=C(Oc2c....
163 1KGI - T4A C14 H8 I4 O4 c1c(cc(c(c....
164 1IE4 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
50% Homology Family (165)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 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 4HJU - 16L C19 H19 N O2 Cc1cc(cc(c....
6 2FLM - 6CA C32 H31 N O6 c1ccc(c(c1....
7 5AKV - G7G C21 H18 O11 c1cc(ccc1C....
8 3IMU - IW4 C14 H12 Br2 N2 c1cc(cc(c1....
9 4ABU ic50 = 0.52 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
10 2G5U Kd = 3.2 nM PCQ C12 H6 Cl4 O2 c1c(cc(c(c....
11 4DER ic50 = 10.3 uM AGI C15 H10 O5 c1cc(ccc1C....
12 3CN3 - LJ4 C12 H8 Br2 O2 c1ccc(cc1)....
13 5L4M Kd = 4.6 uM SBK C7 H4 Cl3 N O3 c1c(c(nc(c....
14 1THA - T33 C15 H13 I2 N O4 c1cc(c(cc1....
15 6GRP Kd = 3.34 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
16 5AKS - R3X C20 H20 O9 c1cc(ccc1/....
17 3NEE - B72 C20 H24 O4 Cc1cc(cc(c....
18 3GS7 - 8BD C11 H13 N O4 COc1ccccc1....
19 4HIQ Kd = 193 nM 16V C15 H17 F N2 O3 Cc1c(c(n[n....
20 3IMR - IW1 C14 H8 Br2 Cl2 O c1cc(c(c(c....
21 3KGU Kd = 1.2 uM GEN C15 H10 O5 c1cc(ccc1C....
22 3ESP - DZ3 C15 H13 Br2 N O3 Cc1cc(cc(c....
23 1DVU - DBF C14 H8 O5 c1cc2c3ccc....
24 3TCT Kd = 2 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
25 5E23 - L32 C15 H9 Br2 N O3 c1cc-2c(cc....
26 4QYA - LU2 C15 H10 O6 c1cc(c(cc1....
27 2FBR - 44C C30 H27 N O6 c1ccc(c(c1....
28 2F7I - 26C C13 H8 F2 O2 c1cc(c(c(c....
29 4HIS Kd = 247 nM 3MI C14 H7 Cl2 N O3 c1cc2c(cc1....
30 5AKT - R4G C20 H20 O9 c1cc(ccc1/....
31 5L4J Kd = 52 uM 6JD C12 H10 O4 S c1cc(ccc1O....
32 5CR1 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
33 4PM1 - ESZ C18 H23 Br O2 C[C@]12CC[....
34 1DVX - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
35 1DVT - FLP C15 H13 F O2 C[C@@H](c1....
36 3IMS - IW2 C14 H10 Br2 Cl2 O c1cc(c(c(c....
37 3FC8 ic50 = 4.1 uM IFA C17 H14 F2 I N O4 COC(=O)CCN....
38 5EZP - IPJ C15 H12 O2 c1ccc(cc1)....
39 3D2T Kd = 1100 nM 1FL C13 H8 F2 O3 c1cc(c(cc1....
40 4D7B Kd = 58 nM TCW C14 H11 N O5 Cc1ccc(cc1....
41 3KGT Kd = 3.1 uM GEN C15 H10 O5 c1cc(ccc1C....
42 3CFT Kd = 64 uM 5NS C10 H9 N O3 S c1cc2c(ccc....
43 1ETA - T44 C15 H11 I4 N O4 c1c(cc(c(c....
44 4TQH - ES8 C15 H11 N O3 c1ccc2c(c1....
45 1THC - FL9 C15 H8 Br2 O6 c1c(cc2c(c....
46 5IHH Kd = 390 nM 6B5 C16 H12 O6 COc1cc(c2c....
47 4FI7 - 0UA C14 H7 Cl2 F N2 O4 S c1cc(cc(c1....
48 2QGE - MR6 C15 H13 N O Cc1cc(cc(c....
49 3IPE ic50 = 0.15 uM JZE C33 H30 Cl4 N2 O6 c1ccc(c(c1....
50 1Z7J - T4A C14 H8 I4 O4 c1c(cc(c(c....
51 4I89 - 1FL C13 H8 F2 O3 c1cc(c(cc1....
52 2B15 - DNF C6 H4 N2 O5 c1cc(c(cc1....
53 3CN1 - LJ2 C14 H10 Br2 O c1ccc(cc1)....
54 6GR7 Kd = 3.19 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
55 1DVZ Kd = 78 nM OFL C14 H10 F3 N O2 c1ccc(c(c1....
56 2B9A - FBC C13 H8 F2 O2 c1cc(ccc1c....
57 3NEO - G24 C24 H24 O4 Cc1cc(cc(c....
58 1TT6 - DES C18 H20 O2 CC/C(=C(/C....
59 5TZL - IIH C13 H6 Cl I2 N O2 c1cc2c(c(c....
60 4TQI - 6BD C17 H15 N O3 C[C@@H](CO....
61 3NG5 - KDH C22 H18 O11 c1c(cc(c(c....
62 3CN2 - LJ3 C12 H8 Br2 O c1ccc(cc1)....
63 4FI8 - 0UC C14 H6 Br Cl2 F N2 O4 S c1cc(c(cc1....
64 1ETB - T44 C15 H11 I4 N O4 c1c(cc(c(c....
65 4WNJ - QUE C15 H10 O7 c1cc(c(cc1....
66 5AL0 - R3S C14 H12 O6 S c1cc(ccc1/....
67 3CFN Kd = 4.3 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
68 1TLM - MIL C12 H9 N3 O CC1=C(C=C(....
69 2QGD - MR5 C13 H7 Br2 N O2 c1ccc2c(c1....
70 5L4I Kd = 0.26 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
71 4WNS - 3RL C16 H16 O3 COc1cc(cc(....
72 4YDN - 4B8 C14 H8 Cl2 N2 O3 c1cc(ccc1c....
73 3ESO - DZ2 C13 H7 Br2 Cl2 N O2 c1cc(c(cc1....
74 3GLZ - 1BD C11 H10 F3 N O3 c1ccc(c(c1....
75 2G9K - NE1 C12 H5 Cl5 O c1cc(c(c(c....
76 4TQ8 - 7BD C16 H13 N O3 c1ccc2c(c1....
77 4PME - CUR C21 H20 O6 COc1cc(ccc....
78 3NEX - G24 C24 H24 O4 Cc1cc(cc(c....
79 3GS4 - 7BD C16 H13 N O3 c1ccc2c(c1....
80 3IPB ic50 = 0.2 uM JZD C37 H38 Cl4 N2 O6 c1ccc(c(c1....
81 1F86 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
82 5E4O - L57 C15 H11 Cl2 N O3 c1ccc(cc1)....
83 1TYR Kd = 0.1 uM REA C20 H28 O2 CC1=C(C(CC....
84 1DVY - BPD C21 H12 F3 N O5 c1cc(cc(c1....
85 5HJG Kd = 20 nM XDI C15 H12 Br4 O2 CC(C)(c1cc....
86 4AC2 - 43F C14 H11 Cl3 O2 COc1cc(ccc....
87 4DEU ic50 = 12.39 uM NAR C15 H12 O5 c1cc(ccc1[....
88 4HJT - 18A C19 H21 N O2 CCC(=O)Nc1....
89 4QXV - LU2 C15 H10 O6 c1cc(c(cc1....
90 1BM7 Kd = 30 nM FLF C14 H10 F3 N O2 c1ccc(c(c1....
91 4L1S - 1W4 C25 H24 F N O2 S Cc1cc(cc(c....
92 5A6I Kd = 56 nM TCW C14 H11 N O5 Cc1ccc(cc1....
93 5L4F Kd = 1.3 uM 6J1 C7 H6 N2 O5 Cc1cc(c(c(....
94 4TQP - 48R C18 H18 N2 O4 S C[C@H](CON....
95 1U21 Kd = 5 nM P2C C13 H9 Cl2 N O5 c1ccc(c(c1....
96 2QGC - MR4 C15 H13 N O2 Cc1cc(cc(c....
97 2B77 - 3CA C13 H8 Cl2 O3 c1cc(c(cc1....
98 1E4H Kd = 3.9 nM PBR C6 H Br5 O c1(c(c(c(c....
99 3CN4 - LJ5 C13 H9 Br2 N O2 c1ccc(cc1)....
100 5JIQ - 27M C13 H10 O5 c1cc(c(cc1....
101 4KY2 - 1W3 C20 H18 O4 Cc1cc(cc(c....
102 3IMV - IW5 C14 H12 Br2 N2 c1cc(ccc1/....
103 2GAB - NE2 C12 H6 Cl4 O c1cc(c(cc1....
104 3CN0 - LJ1 C16 H16 O Cc1cc(cc(c....
105 3GS0 - 6BD C17 H15 N O3 C[C@@H](CO....
106 5E4A - 5JW C15 H9 Cl2 N O3 c1cc-2c(cc....
107 4FI6 - 0U7 C14 H7 Cl2 F N2 O3 S c1cc(cc(c1....
108 3M1O - CJZ C13 H9 Cl2 N O3 c1ccc(c(c1....
109 4L1T - 1WZ C19 H21 N O3 Cc1cc(cc(c....
110 3FCB ic50 = 4.9 uM IFB C16 H12 F2 I N O4 c1cc(c(cc1....
111 5EN3 Kd = 620 nM 7LU C15 H9 Cl O5 c1cc(c(cc1....
112 2ROX - T44 C15 H11 I4 N O4 c1c(cc(c(c....
113 4DET ic50 = 8.26 uM KMP C15 H10 O6 c1cc(ccc1C....
114 4HJS Ki = 1.2 uM 18J C18 H21 N O3 S CCS(=O)(=O....
115 4I85 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
116 1E5A Kd = 23 nM TBP C6 H3 Br3 O c1c(cc(c(c....
117 5BOJ Kd = 100 nM 4TX C15 H22 O3 Cc1ccc(c(c....
118 3IMW - IW6 C16 H15 Br2 N O2 COc1cccc(c....
119 4WO0 - AGI C15 H10 O5 c1cc(ccc1C....
120 1TZ8 - DES C18 H20 O2 CC/C(=C(/C....
121 4ABW - 42M C14 H14 N2 O7 COc1cc(ccc....
122 2F8I - 205 C14 H7 Cl2 N O3 c1cc(c(c(c....
123 5AL8 - D75 C21 H18 O10 c1cc(ccc1C....
124 3CFQ - DIF C14 H11 Cl2 N O2 c1ccc(c(c1....
125 1DVS - STL C14 H12 O3 c1cc(ccc1C....
126 3IMT - IW3 C14 H11 Br2 N O c1cc(ccc1/....
127 2ROY - P28 C17 H15 N3 O9 CC(=O)N[C@....
128 4YDM - 4AJ C14 H8 Cl2 N2 O3 c1cc(cc(c1....
129 4PMF - CUR C21 H20 O6 COc1cc(ccc....
130 3ESN - DZ1 C15 H13 Br2 N O2 Cc1cccc(c1....
131 3B56 - DIU C7 H4 I2 O3 c1c(cc(c(c....
132 1Y1D - FHI C13 H7 F2 I O3 c1cc(c(cc1....
133 4DES ic50 = 12.16 uM 57D C15 H10 O4 c1ccc(cc1)....
134 4I87 - H50 C16 H11 Cl2 F O2 c1cc(c(cc1....
135 2B14 - DNF C6 H4 N2 O5 c1cc(c(cc1....
136 4ABQ - 4V2 C8 H6 N2 O2 S c1cc(cc(c1....
137 3NES - B72 C20 H24 O4 Cc1cc(cc(c....
138 4DEW ic50 = 6.38 uM LU2 C15 H10 O6 c1cc(c(cc1....
139 4Y9E - MKT C23 H24 O6 CC(=CCc1c(....
140 6GNO Kd = 0.18 uM XDI C15 H12 Br4 O2 CC(C)(c1cc....
141 6GNR Kd = 3.61 uM 6J3 C13 H11 Cl N2 O2 Cc1c(cccc1....
142 1SN5 - T3 C15 H12 I3 N O4 c1cc(c(cc1....
143 1SN0 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
144 6GNM Kd = 54.61 uM 27M C13 H10 O5 c1cc(c(cc1....
145 6GOO Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
146 6GNP Kd = 28.41 uM F4Z C5 H2 Cl3 N O c1c(c(nc(c....
147 6GNW Kd = 10.2 uM F52 C8 H5 Cl3 O3 c1c(c(cc(c....
148 6GON Kd = 2.16 uM 8PF C8 H F15 O2 C(=O)(C(C(....
149 4PWI - ROA C18 H16 O8 c1cc(c(cc1....
150 4PWF - PWF C18 H18 O4 COc1cc(ccc....
151 4PWK - PWK C20 H26 O4 C[C@H](Cc1....
152 4Y9F - MKT C23 H24 O6 CC(=CCc1c(....
153 4PWJ - 30Z C18 H22 O4 C[C@@H](Cc....
154 4Y9C - MKS C24 H26 O6 CC(=CCc1c(....
155 4Y9G - MKU C24 H26 O6 CC(=CCc1c2....
156 4N86 - GBJ C20 H20 O4 CC1(C=Cc2c....
157 4PWG - 0XR C11 H12 O4 CCOC(=O)/C....
158 5AYT Ki = 0.17 uM L6Y C19 H11 N O4 c1ccc(cc1)....
159 4Y9B - MKS C24 H26 O6 CC(=CCc1c(....
160 4QRF - QAP C17 H16 O4 c1ccc(cc1)....
161 4N87 - GBJ C20 H20 O4 CC1(C=Cc2c....
162 4PWH - PWH C14 H16 O4 CC(=CCOC(=....
163 1KGJ - FL8 C16 H10 Br2 O4 CC1=C(Oc2c....
164 1KGI - T4A C14 H8 I4 O4 c1c(cc(c(c....
165 1IE4 - T44 C15 H11 I4 N O4 c1c(cc(c(c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3MI; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 3MI 1 1
2 205 0.555556 0.921053
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: 243
This union binding pocket(no: 1) in the query (biounit: 3tct.bio1) has 82 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 1Y7P RIP None
3 5EJL C2E None
4 3OYW TDG None
5 3JQ3 ADP None
6 4IEN GDP None
7 5HWV MBN None
8 3IWD M2T None
9 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU None
10 4NS0 PIO None
11 4ZH7 FUC GAL NAG GAL FUC None
12 1I7M CG None
13 2CCV A2G None
14 1MFG GLU TYR LEU GLY LEU ASP VAL PRO VAL None
15 3CM2 X23 None
16 3WUD GLC GAL None
17 3MF2 AMP None
18 1IS3 LAT None
19 5ACM MBT None
20 1OFZ FUC None
21 1I7M PUT None
22 1NKI PPF None
23 4XCB AKG None
24 5FPX GLY SER SER HIS HIS HIS HIS HIS None
25 1TW4 CHD None
26 4QAC KK3 None
27 1WS1 BB2 None
28 4Y24 TD2 1.5748
29 5H2U 1N1 1.5748
30 2G30 ALA ALA PHE 1.5748
31 4MOB ADP 2.3622
32 5FUI APY 2.3622
33 6FA4 D1W 2.3622
34 5OCG 9R5 2.3622
35 5LHT TIH 2.3622
36 3WG3 A2G GAL NAG FUC 2.3622
37 5TZO 7V7 2.3622
38 3I7V B4P 2.3622
39 3ACL 3F1 2.3622
40 1VRP ADP 2.3622
41 2HZQ STR 2.3622
42 3QSB 743 2.3622
43 1OIJ AKG 2.3622
44 1WW5 SGA BGC 2.3622
45 4YBN FAD 2.3622
46 5TV6 PML 2.3622
47 3CQL NDG 2.3622
48 5LUN OGA 2.3622
49 1U6R ADP 2.3622
50 5FU3 BGC BGC BGC 2.83019
51 4RF7 ARG 3.14961
52 3QRC SCR 3.14961
53 2VL1 GLY GLY 3.14961
54 1ULE GLA GAL NAG 3.14961
55 1HXD BTN 3.14961
56 4OCT AKG 3.14961
57 4MBY BGC SIA GAL 3.14961
58 2Z77 HE7 3.14961
59 4DR9 BB2 3.14961
60 3B6R ADP 3.14961
61 6C5F 7L9 3.4188
62 5KJW 53C 3.93701
63 5G48 1FL 3.93701
64 4DXD 9PC 3.93701
65 2PNC CLU 3.93701
66 6GW4 CHO 3.93701
67 3M3E GAL A2G NPO 3.93701
68 3ESS 18N 3.93701
69 4W9N TCL 3.93701
70 5T8U LPA 3.93701
71 5LY1 PPI 3.93701
72 6E08 NAP 3.93701
73 5DG2 GAL GLC 3.93701
74 3A5Y KAA 3.93701
75 2ZTG A5A 3.93701
76 1ZHS NAG NAG BMA MAN MAN 4.42478
77 3ZW2 NAG GAL FUC 4.5977
78 5F6U 5VK 4.72441
79 4YLZ LAT NAG GAL 4.72441
80 1ZNY GDP 4.72441
81 3E7S AT2 4.72441
82 1SDW IYT 4.72441
83 3JU6 ANP 4.72441
84 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 4.72441
85 5VKM GAL SIA 4.72441
86 2F2H XTG 4.72441
87 5T7I LAT NAG GAL 4.72441
88 3GD9 GLC BGC BGC BGC 4.72441
89 4ZGR NGA GAL 4.72441
90 2OJW ADP 4.72441
91 3HCH RSM 4.72441
92 4JH6 FCN 4.72441
93 2IU8 PLM 4.72441
94 1RZX ACE VAL LYS GLU SER LEU VAL 5.10204
95 5FPE 3TR 5.51181
96 4L4J NAG NAG BMA MAN NAG 5.51181
97 3G2Y GF4 5.51181
98 4NPL AKG 5.51181
99 1UYY BGC BGC 5.51181
100 4HWT 1B2 5.51181
101 4WCX MET 5.51181
102 3EFS BTN 5.51181
103 1RYD GLC 5.51181
104 3AJ6 NGA 5.51181
105 4OWK NGA 5.51181
106 4C2C ALA ALA ALA 5.51181
107 4DE0 0JB 5.51181
108 5L2R MLA 5.51181
109 4DE2 DN3 5.51181
110 4GNC ASO 5.51181
111 4DDY DN6 5.51181
112 3NBC LAT 5.51181
113 1F52 ADP 5.51181
114 5UC4 83S 5.51181
115 3E2M E2M 5.51181
116 4DE1 0J6 5.51181
117 4K55 H6P 5.64516
118 1R1Q ACE ARG GLU PTR VAL ASN VAL 6
119 2VDF OCT 6.29921
120 4KBA 1QM 6.29921
121 2RDE C2E 6.29921
122 2Y91 98J 6.29921
123 1ELI PYC 6.29921
124 1MJT ITU 6.29921
125 4FFG 0U8 6.29921
126 4FFG LBS 6.29921
127 4LO2 GAL BGC 6.29921
128 3KYG 5GP 5GP 6.29921
129 2AZ5 307 6.29921
130 3ZJX BOG 6.29921
131 4CJN QNZ 6.29921
132 5MUA GAL 6.29921
133 5LRT ADP 6.29921
134 3T4L ZEA 6.29921
135 5UJ3 CE4 6.29921
136 2BS5 BGC GAL FUC 6.66667
137 2Z3U CRR 7.08661
138 3A16 PXO 7.08661
139 5J75 6GQ 7.08661
140 2ZQO NGA 7.08661
141 3ZXE PGZ 7.08661
142 3NZ1 3NY 7.08661
143 5H9Y BGC BGC BGC BGC 7.08661
144 5N2D 8J8 7.08661
145 5NIU 8YZ 7.08661
146 5H9Q TD2 7.08661
147 3NNF AKG 7.08661
148 5DYO FLU 7.08661
149 3TAY MN0 7.08661
150 4KQR VPP 7.08661
151 4RT1 C2E 7.14286
152 4WOE ADP 7.87402
153 3R6K FUC GAL GLA 7.87402
154 5Y4R C2E 7.87402
155 2QHV OC9 7.87402
156 1RJW ETF 7.87402
157 2ZHL NAG GAL GAL NAG 7.87402
158 5MRH Q9Z 7.87402
159 5XLY C2E 7.87402
160 5D9G GLU ASN LEU TYR PHE GLN 7.87402
161 3WV6 GAL BGC 7.87402
162 3HAV ATP 7.87402
163 1LNM DTX 7.87402
164 2BVE PH5 8.40336
165 3RF4 FUN 8.62069
166 5H9P TD2 8.66142
167 5ODY 9SK 8.66142
168 4ZTD ALA GLY ALA GLY ALA 8.66142
169 1PVC ILE SER GLU VAL 8.66142
170 2QHS OCA 8.66142
171 1SBR VIB 8.66142
172 5EO8 TFU 8.66142
173 6CC0 EWM 8.66142
174 3VV1 GAL FUC 8.66142
175 2CJU PHX 8.84956
176 4M5S GLY GLU ARG THR ILE PRO ILE THR ARG GLU 9.1954
177 2P7Q GG6 9.44882
178 4NOS ITU 9.44882
179 4DS0 A2G GAL NAG FUC 9.44882
180 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 9.44882
181 5X7Q GLC GLC GLC GLC GLC 9.44882
182 5TVF CGQ 9.44882
183 5K8P 6R8 9.44882
184 5XQW 8EU 9.44882
185 5X7Q ACR 9.44882
186 1MRE GDP 9.44882
187 1MFI FHC 9.64912
188 1O51 ADP 9.64912
189 1OFL NGK GCD 10.2362
190 5CPR 539 10.2362
191 5V3D FCN 10.2362
192 2ZX2 RAM 11.0236
193 4USF 6UI 11.0236
194 1UW1 ADP 11.25
195 4LO6 SIA GAL 11.811
196 6E1Q CFA 11.811
197 1LSH PLD 11.811
198 4RD0 GDP 11.811
199 5XEG AKG 11.811
200 2D6M LBT 11.811
201 4RYV ZEA 12.5984
202 3H0L ADP 13.3858
203 3PA8 621 13.3858
204 3SAO DBH 14.1732
205 1F9V ADP 14.1732
206 4YRI 4JH 14.1732
207 4BG4 ADP 14.1732
208 2ORO 228 14.1732
209 3QXV MTX 14.2857
210 4GLW NMN 14.9606
211 5WL1 D3D 14.9606
212 5WL1 CUY 14.9606
213 4NS3 NAD 14.9606
214 4LOO SB4 14.9606
215 4IAW LIZ 15.748
216 4YVN EBS 15.748
217 5KEW 6SB 15.9574
218 2XG5 EC5 16.5354
219 2XG5 EC2 16.5354
220 4XMF HSM 16.5354
221 5YJS SAL 16.5354
222 1QKQ MAN 16.5354
223 2YKL NLD 16.5354
224 4G9N NGA 16.5354
225 3A5Z KAA 16.5354
226 1GT4 UNA 16.5354
227 3CBC DBS 16.6667
228 5WHT SIA 17.3228
229 5WHT SIA GAL GLC 17.3228
230 5WHT SIA GAL 17.3228
231 5W75 SUC 17.3228
232 4RHS SIA SIA GAL 18.0328
233 3CF6 SP1 18.1102
234 2RDG NDG FUC SIA GAL 18.1102
235 2XGT NSS 18.1102
236 5GLT BGC GAL NAG GAL 18.8976
237 4D4U FUC GAL NDG FUC 18.8976
238 4D4U FUC GAL NAG 18.8976
239 4M1U A2G MBG 21.4286
240 3KYF 5GP 5GP 22.8346
241 1BC5 ACE ASN TRP GLU THR PHE 22.8346
242 5JJU AMP 24.4094
243 3KJQ B94 34.7368
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 82 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 82 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 82 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback