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 (2D)
Ligand no: 1; Ligand: ACE SER ASP ALY THR NH2 COA; Similar ligands found: 133
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE SER ASP ALY THR NH2 COA 1 1
2 ASP ASP ASP ILE NH2 CMC 0.77193 0.977273
3 01K 0.659218 0.955056
4 MET VAL ASN ALA CMC 0.65445 0.955056
5 HMG 0.637931 0.965909
6 BUA COA 0.631579 0.94382
7 COA FLC 0.624242 0.965517
8 6NA COA 0.622857 0.944444
9 DAO COA 0.61236 0.944444
10 MYR COA 0.61236 0.944444
11 DKA COA 0.61236 0.944444
12 X90 COA 0.61236 0.944444
13 DCR COA 0.61236 0.944444
14 PLM COA 0.61236 0.944444
15 EO3 COA 0.61236 0.944444
16 ACE MET LEU GLY PRO NH2 COA 0.604878 0.955056
17 93M 0.570707 0.944444
18 NHQ 0.56383 0.94382
19 SOP 0.553672 0.955056
20 CCQ 0.548913 0.934783
21 A1S 0.544444 0.933333
22 COF 0.543956 0.913043
23 CMC 0.541899 0.955056
24 5AD NJS 0.533333 0.913979
25 2CP 0.530055 0.966292
26 MC4 0.521739 0.904255
27 NHM 0.521053 0.934066
28 NHW 0.521053 0.934066
29 UOQ 0.521053 0.934066
30 IVC 0.519126 0.922222
31 3CP 0.518919 0.955056
32 FYN 0.513812 0.932584
33 4CO 0.513228 0.923077
34 0FQ 0.513228 0.933333
35 COT 0.51269 0.933333
36 ACO 0.511111 0.923077
37 3HC 0.51087 0.922222
38 01A 0.510526 0.893617
39 0ET 0.510526 0.934066
40 COS 0.50838 0.912088
41 CAO 0.50838 0.902174
42 30N 0.50838 0.85567
43 1VU 0.508197 0.923077
44 CAA 0.508108 0.922222
45 4CA 0.508021 0.923077
46 CIC 0.507937 0.955056
47 OXK 0.502732 0.933333
48 MCD 0.502732 0.933333
49 KFV 0.502674 0.876289
50 HFQ 0.502591 0.913043
51 MRS 0.502591 0.913043
52 MRR 0.502591 0.913043
53 CA5 0.502463 0.893617
54 NMX 0.5 0.864583
55 CO6 0.5 0.933333
56 COO 0.5 0.912088
57 CS8 0.5 0.923913
58 4KX 0.497409 0.882979
59 HDC 0.497409 0.913043
60 YXS 0.497326 0.848485
61 YXR 0.497326 0.848485
62 SCA 0.497326 0.933333
63 2MC 0.497297 0.893617
64 SCD 0.497297 0.932584
65 3KK 0.497268 0.933333
66 TGC 0.494737 0.944444
67 HGG 0.494681 0.933333
68 1HE 0.494624 0.913043
69 BCO 0.494624 0.912088
70 MLC 0.494624 0.933333
71 COK 0.494565 0.912088
72 CA6 0.494565 0.867347
73 93P 0.492683 0.944444
74 MCA 0.491979 0.944444
75 HAX 0.491803 0.891304
76 AMX 0.491713 0.921348
77 0T1 0.49162 0.911111
78 HXC 0.489474 0.913043
79 GRA 0.489474 0.933333
80 CAJ 0.489247 0.933333
81 CMX 0.489011 0.932584
82 ETB 0.488764 0.879121
83 RMW 0.487805 0.913043
84 IRC 0.486772 0.922222
85 2KQ 0.486772 0.934066
86 CA8 0.486772 0.83
87 FAM 0.486339 0.891304
88 CO8 0.484375 0.913043
89 FAQ 0.484211 0.912088
90 COA 0.483333 0.932584
91 DCC 0.481865 0.913043
92 UCC 0.481865 0.913043
93 5F9 0.481865 0.913043
94 MYA 0.481865 0.913043
95 MFK 0.481865 0.913043
96 ST9 0.481865 0.913043
97 DCA 0.480447 0.911111
98 BYC 0.478947 0.912088
99 1GZ 0.478947 0.902174
100 COW 0.478947 0.902174
101 KGJ 0.478723 0.875
102 FCX 0.478261 0.902174
103 WCA 0.476923 0.892473
104 1CZ 0.476684 0.923077
105 2NE 0.476684 0.892473
106 BCA 0.47644 0.902174
107 SCO 0.472826 0.932584
108 KGA 0.471204 0.885417
109 YZS 0.470588 0.848485
110 CA3 0.470588 0.933333
111 KGP 0.470588 0.848485
112 YNC 0.469697 0.902174
113 DAK 0.469697 0.903226
114 1CV 0.469388 0.933333
115 8Z2 0.467337 0.903226
116 J5H 0.462312 0.912088
117 SO5 0.460733 0.858586
118 LCV 0.460733 0.858586
119 1HA 0.458128 0.892473
120 UCA 0.457143 0.913043
121 YE1 0.453125 0.901099
122 F8G 0.446602 0.894737
123 COD 0.441989 0.943182
124 7L1 0.441489 0.923077
125 S0N 0.439394 0.912088
126 CO7 0.438144 0.912088
127 4BN 0.433036 0.875
128 5TW 0.433036 0.875
129 OXT 0.430493 0.894737
130 JBT 0.423581 0.876289
131 BSJ 0.415179 0.923913
132 MET LYS ALA VAL 1XE 0.414847 0.923913
133 N9V 0.403941 0.88172
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE SER ASP ALY THR NH2 COA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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