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: 110
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 PLM COA 0.61236 0.944444
6 COA PLM 0.61236 0.944444
7 93M 0.570707 0.944444
8 NHQ 0.56383 0.94382
9 SOP 0.553672 0.955056
10 CCQ 0.548913 0.934783
11 A1S 0.544444 0.933333
12 COF 0.543956 0.913043
13 CMC 0.541899 0.955056
14 2CP 0.530055 0.966292
15 MC4 0.521739 0.904255
16 NHM 0.521053 0.934066
17 NHW 0.521053 0.934066
18 UOQ 0.521053 0.934066
19 IVC 0.519126 0.922222
20 3CP 0.518919 0.955056
21 FYN 0.513812 0.932584
22 4CO 0.513228 0.923077
23 0FQ 0.513228 0.933333
24 COT 0.51269 0.933333
25 ACO 0.511111 0.923077
26 3HC 0.51087 0.922222
27 01A 0.510526 0.893617
28 0ET 0.510526 0.934066
29 30N 0.50838 0.85567
30 COS 0.50838 0.912088
31 CAO 0.50838 0.902174
32 1VU 0.508197 0.923077
33 CAA 0.508108 0.922222
34 4CA 0.508021 0.923077
35 CIC 0.507937 0.955056
36 OXK 0.502732 0.933333
37 MCD 0.502732 0.933333
38 MRS 0.502591 0.913043
39 MRR 0.502591 0.913043
40 HFQ 0.502591 0.913043
41 CA5 0.502463 0.893617
42 COO 0.5 0.912088
43 NMX 0.5 0.864583
44 CO6 0.5 0.933333
45 CS8 0.5 0.923913
46 HDC 0.497409 0.913043
47 4KX 0.497409 0.882979
48 SCA 0.497326 0.933333
49 2MC 0.497297 0.893617
50 SCD 0.497297 0.932584
51 3KK 0.497268 0.933333
52 TGC 0.494737 0.944444
53 HGG 0.494681 0.933333
54 BCO 0.494624 0.912088
55 MLC 0.494624 0.933333
56 1HE 0.494624 0.913043
57 COK 0.494565 0.912088
58 CA6 0.494565 0.867347
59 93P 0.492683 0.944444
60 MCA 0.491979 0.944444
61 HAX 0.491803 0.891304
62 AMX 0.491713 0.921348
63 0T1 0.49162 0.911111
64 GRA 0.489474 0.933333
65 HXC 0.489474 0.913043
66 CAJ 0.489247 0.933333
67 CMX 0.489011 0.932584
68 ETB 0.488764 0.879121
69 IRC 0.486772 0.922222
70 CA8 0.486772 0.83
71 2KQ 0.486772 0.934066
72 FAM 0.486339 0.891304
73 CO8 0.484375 0.913043
74 FAQ 0.484211 0.912088
75 COA 0.483333 0.932584
76 ST9 0.481865 0.913043
77 MYA 0.481865 0.913043
78 DCC 0.481865 0.913043
79 5F9 0.481865 0.913043
80 MFK 0.481865 0.913043
81 UCC 0.481865 0.913043
82 DCA 0.480447 0.911111
83 BYC 0.478947 0.912088
84 COW 0.478947 0.902174
85 1GZ 0.478947 0.902174
86 FCX 0.478261 0.902174
87 WCA 0.476923 0.892473
88 1CZ 0.476684 0.923077
89 2NE 0.476684 0.892473
90 BCA 0.47644 0.902174
91 SCO 0.472826 0.932584
92 CA3 0.470588 0.933333
93 YNC 0.469697 0.902174
94 DAK 0.469697 0.903226
95 1CV 0.469388 0.933333
96 8Z2 0.467337 0.903226
97 1HA 0.458128 0.892473
98 UCA 0.457143 0.913043
99 YE1 0.453125 0.901099
100 F8G 0.446602 0.894737
101 COD 0.441989 0.943182
102 7L1 0.441489 0.923077
103 S0N 0.439394 0.912088
104 CO7 0.438144 0.912088
105 4BN 0.433036 0.875
106 5TW 0.433036 0.875
107 OXT 0.430493 0.894737
108 JBT 0.423581 0.876289
109 BSJ 0.415179 0.923913
110 MET LYS ALA VAL 1XE 0.414847 0.923913
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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