Receptor
PDB id Resolution Class Description Source Keywords
4PK3 1.35 Å EC: 2.3.1.108 TUBULIN ACETYLTRANSFERASE COMPLEX WITH BISUBSTRATE ANALOG HOMO SAPIENS TUBULIN ACETYLTRANSFERASE BISUBSTRATE COA TRANSFERASE-PECOMPLEX
Ref.: MOLECULAR BASIS FOR AGE-DEPENDENT MICROTUBULE ACETY TUBULIN ACETYLTRANSFERASE. CELL V. 157 1405 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE SER ASP ALY THR NH2 COA B:1;
Valid;
none;
ic50 ~ 100 uM
1294.04 n/a S(CC(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PK3 1.35 Å EC: 2.3.1.108 TUBULIN ACETYLTRANSFERASE COMPLEX WITH BISUBSTRATE ANALOG HOMO SAPIENS TUBULIN ACETYLTRANSFERASE BISUBSTRATE COA TRANSFERASE-PECOMPLEX
Ref.: MOLECULAR BASIS FOR AGE-DEPENDENT MICROTUBULE ACETY TUBULIN ACETYLTRANSFERASE. CELL V. 157 1405 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4B5O - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 4PK3 ic50 ~ 100 uM ACE SER ASP ALY THR NH2 COA n/a n/a
3 4IF5 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4H6U - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 4HKF - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
3 4B5O - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
4 4PK3 ic50 ~ 100 uM ACE SER ASP ALY THR NH2 COA n/a n/a
5 4IF5 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4H6U - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
2 4HKF - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
3 4B5O - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
4 4PK3 ic50 ~ 100 uM ACE SER ASP ALY THR NH2 COA n/a n/a
5 4IF5 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACE SER ASP ALY THR NH2 COA; Similar ligands found: 122
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE SER ASP ALY THR NH2 COA 1 1
2 ASP ASP ASP ILE CMC NH2 0.77193 0.977273
3 01K 0.659218 0.955056
4 HMG 0.637931 0.965909
5 COA FLC 0.624242 0.965517
6 PLM COA 0.61236 0.944444
7 COA PLM 0.61236 0.944444
8 93M 0.570707 0.944444
9 NHQ 0.56383 0.94382
10 SOP 0.553672 0.955056
11 CCQ 0.548913 0.934783
12 A1S 0.544444 0.933333
13 COF 0.543956 0.913043
14 CMC 0.541899 0.955056
15 2CP 0.530055 0.966292
16 MC4 0.521739 0.904255
17 NHM 0.521053 0.934066
18 UOQ 0.521053 0.934066
19 NHW 0.521053 0.934066
20 IVC 0.519126 0.922222
21 3CP 0.518919 0.955056
22 FYN 0.513812 0.932584
23 0FQ 0.513228 0.933333
24 4CO 0.513228 0.923077
25 COT 0.51269 0.933333
26 ACO 0.511111 0.923077
27 3HC 0.51087 0.922222
28 01A 0.510526 0.893617
29 0ET 0.510526 0.934066
30 30N 0.50838 0.85567
31 CAO 0.50838 0.902174
32 COS 0.50838 0.912088
33 1VU 0.508197 0.923077
34 CAA 0.508108 0.922222
35 4CA 0.508021 0.923077
36 CIC 0.507937 0.955056
37 MCD 0.502732 0.933333
38 OXK 0.502732 0.933333
39 KFV 0.502674 0.876289
40 MRS 0.502591 0.913043
41 MRR 0.502591 0.913043
42 HFQ 0.502591 0.913043
43 CA5 0.502463 0.893617
44 CO6 0.5 0.933333
45 CS8 0.5 0.923913
46 COO 0.5 0.912088
47 NMX 0.5 0.864583
48 HDC 0.497409 0.913043
49 4KX 0.497409 0.882979
50 YXS 0.497326 0.848485
51 SCA 0.497326 0.933333
52 YXR 0.497326 0.848485
53 SCD 0.497297 0.932584
54 2MC 0.497297 0.893617
55 3KK 0.497268 0.933333
56 TGC 0.494737 0.944444
57 HGG 0.494681 0.933333
58 1HE 0.494624 0.913043
59 BCO 0.494624 0.912088
60 MLC 0.494624 0.933333
61 CA6 0.494565 0.867347
62 COK 0.494565 0.912088
63 93P 0.492683 0.944444
64 MCA 0.491979 0.944444
65 HAX 0.491803 0.891304
66 AMX 0.491713 0.921348
67 0T1 0.49162 0.911111
68 HXC 0.489474 0.913043
69 GRA 0.489474 0.933333
70 CAJ 0.489247 0.933333
71 CMX 0.489011 0.932584
72 ETB 0.488764 0.879121
73 IRC 0.486772 0.922222
74 CA8 0.486772 0.83
75 2KQ 0.486772 0.934066
76 FAM 0.486339 0.891304
77 CO8 0.484375 0.913043
78 FAQ 0.484211 0.912088
79 COA 0.483333 0.932584
80 ST9 0.481865 0.913043
81 MYA 0.481865 0.913043
82 UCC 0.481865 0.913043
83 DCC 0.481865 0.913043
84 5F9 0.481865 0.913043
85 MFK 0.481865 0.913043
86 DCA 0.480447 0.911111
87 BYC 0.478947 0.912088
88 1GZ 0.478947 0.902174
89 COW 0.478947 0.902174
90 KGJ 0.478723 0.875
91 FCX 0.478261 0.902174
92 WCA 0.476923 0.892473
93 2NE 0.476684 0.892473
94 1CZ 0.476684 0.923077
95 BCA 0.47644 0.902174
96 SCO 0.472826 0.932584
97 KGA 0.471204 0.885417
98 CA3 0.470588 0.933333
99 KGP 0.470588 0.848485
100 YZS 0.470588 0.848485
101 DAK 0.469697 0.903226
102 YNC 0.469697 0.902174
103 1CV 0.469388 0.933333
104 8Z2 0.467337 0.903226
105 J5H 0.462312 0.912088
106 LCV 0.460733 0.858586
107 SO5 0.460733 0.858586
108 1HA 0.458128 0.892473
109 UCA 0.457143 0.913043
110 YE1 0.453125 0.901099
111 F8G 0.446602 0.894737
112 COD 0.441989 0.943182
113 7L1 0.441489 0.923077
114 S0N 0.439394 0.912088
115 CO7 0.438144 0.912088
116 4BN 0.433036 0.875
117 5TW 0.433036 0.875
118 OXT 0.430493 0.894737
119 JBT 0.423581 0.876289
120 BSJ 0.415179 0.923913
121 MET LYS ALA VAL 1XE 0.414847 0.923913
122 N9V 0.403941 0.88172
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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