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
1295.05 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: 109
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE SER ASP ALY THR NH2 COA 1 1
2 01K 0.632432 0.955056
3 HMG 0.629214 0.965909
4 COA MYR 0.604396 0.944444
5 COA PLM 0.604396 0.944444
6 PLM COA 0.604396 0.944444
7 93M 0.564356 0.944444
8 NHQ 0.557292 0.94382
9 SOP 0.546961 0.955056
10 CCQ 0.542553 0.934783
11 A1S 0.538043 0.933333
12 COF 0.537634 0.913043
13 CMC 0.535519 0.955056
14 2CP 0.524064 0.966292
15 3CP 0.521277 0.955056
16 MC4 0.515957 0.904255
17 NHM 0.515464 0.934066
18 NHW 0.515464 0.934066
19 UOQ 0.515464 0.934066
20 IVC 0.513369 0.922222
21 3HC 0.513369 0.922222
22 CAO 0.510989 0.902174
23 1VU 0.510753 0.923077
24 CAA 0.510638 0.922222
25 4CA 0.510526 0.923077
26 4CO 0.507772 0.923077
27 0FQ 0.507772 0.933333
28 COT 0.507463 0.933333
29 ACO 0.505435 0.923077
30 0ET 0.505155 0.934066
31 01A 0.505155 0.893617
32 COS 0.502732 0.912088
33 30N 0.502732 0.85567
34 COO 0.502645 0.912088
35 CIC 0.502591 0.955056
36 CS8 0.502564 0.923913
37 SCA 0.5 0.933333
38 FYN 0.5 0.932584
39 HDC 0.5 0.913043
40 CA5 0.497585 0.893617
41 MRR 0.497462 0.913043
42 MRS 0.497462 0.913043
43 HFQ 0.497462 0.913043
44 TGC 0.497409 0.944444
45 HGG 0.497382 0.933333
46 BCO 0.497355 0.912088
47 MLC 0.497355 0.933333
48 1HE 0.497355 0.913043
49 MCD 0.497326 0.933333
50 OXK 0.497326 0.933333
51 CO6 0.494681 0.933333
52 NMX 0.494681 0.864583
53 GRA 0.492228 0.933333
54 HXC 0.492228 0.913043
55 2MC 0.492063 0.893617
56 CAJ 0.492063 0.933333
57 SCD 0.492063 0.932584
58 3KK 0.491979 0.933333
59 1GZ 0.489583 0.902174
60 CA6 0.489362 0.867347
61 COK 0.489362 0.912088
62 FAM 0.489247 0.891304
63 93P 0.488038 0.944444
64 CO8 0.487179 0.913043
65 FAQ 0.487047 0.912088
66 MCA 0.486911 0.944444
67 HAX 0.486631 0.891304
68 AMX 0.486486 0.921348
69 4KX 0.484848 0.882979
70 UCC 0.484694 0.913043
71 DCC 0.484694 0.913043
72 ST9 0.484694 0.913043
73 5F9 0.484694 0.913043
74 MFK 0.484694 0.913043
75 MYA 0.484694 0.913043
76 CMX 0.483871 0.932584
77 ETB 0.483516 0.879121
78 IRC 0.481865 0.922222
79 CA8 0.481865 0.83
80 2KQ 0.481865 0.934066
81 FCX 0.481283 0.902174
82 2NE 0.479592 0.892473
83 COA 0.478261 0.932584
84 0T1 0.478261 0.911111
85 DCA 0.47541 0.911111
86 BYC 0.474227 0.912088
87 COW 0.474227 0.902174
88 YNC 0.472637 0.902174
89 DAK 0.472637 0.903226
90 WCA 0.472362 0.892473
91 1CZ 0.472081 0.923077
92 BCA 0.471795 0.902174
93 8Z2 0.470297 0.903226
94 SCO 0.468085 0.932584
95 CA3 0.466346 0.933333
96 1CV 0.465 0.933333
97 UCA 0.460094 0.913043
98 YE1 0.44898 0.901099
99 1HA 0.447115 0.892473
100 CO7 0.441624 0.912088
101 COD 0.437838 0.943182
102 4BN 0.436123 0.875
103 5TW 0.436123 0.875
104 S0N 0.435644 0.912088
105 MET LYS ALA VAL 1XE 0.434783 0.934066
106 JBT 0.4329 0.876289
107 OXT 0.427313 0.894737
108 THR ARG SER GLY FZN VAL MET ARG ARG LEU 0.412017 0.885417
109 BSJ 0.406114 0.923913
Similar Binding Sites (Proteins are less than 50% similar to leader)
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