Receptor
PDB id Resolution Class Description Source Keywords
5O9T 2.15 Å EC: 2.3.1.97 HSNMT1 IN COMPLEX WITH COA AND ACETYLATED-NCFSKPK PEPTIDE HOMO SAPIENS TRANSFERASE GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE 1 N- MYRISTOYLTRANSFERASE 1 N-MYRISTOYLTRANSFERASE TYPE1 NMT1ACYLTRANSFERASE MYR-PEPTIDE COA MYR-COA MYRISTOYL GNAT
Ref.: STRUCTURAL AND GENOMIC DECODING OF HUMAN AND PLANT MYRISTOYLOMES REVEALS A DEFINITIVE RECOGNITION PATT NAT. CHEM. BIOL. V. 14 671 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:504;
B:504;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
GOL B:502;
B:503;
A:502;
A:503;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
1IP CYS PHE SER LYS PRO ARG C:1;
D:1;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0;
Atoms found LESS than expected: % Diff = 0;
 submit data
894.045 n/a SCC(N...
MYA B:501;
A:501;
 Valid;
Valid;
 none;
none;
 submit data
977.89 C35 H62 N7 O17 P3 S CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MU6 1.88 Å EC: 2.3.1.97 HUMAN N-MYRISTOYLTRANSFERASE (NMT1) WITH MYRISTOYL-COA AND I INHIBITOR BOUND HOMO SAPIENS N-MYRISTOYLATION INHIBITOR RHINOVIRUS CAPSULE ASSEMBLY TR
Ref.: FRAGMENT-DERIVED INHIBITORS OF HUMAN N-MYRISTOYLTRA BLOCK CAPSID ASSEMBLY AND REPLICATION OF THE COMMON VIRUS. NAT CHEM V. 10 599 2018
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 6FZ5 Ki = 430 nM BXN C23 H33 Cl2 N5 O2 S Cc1c(c(n(n....
2 4C2Y - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
3 4C2Z ic50 = 17 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
4 6FZ3 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
5 5O6H ic50 = 0.013 uM 9M2 C24 H28 F N5 O Cc1c(c(n(n....
6 6FZ2 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
7 5O9V - GLY GLY CYS PHE SER LYS PRO LYS MYR n/a n/a
8 5O9U - GLY CYS SER VAL SER LYS LYS LYS MYR n/a n/a
9 6F56 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
10 5O6J ic50 = 4.6 nM 9M8 C25 H30 F N5 O Cc1c(c(n(n....
11 5O9T - 1IP CYS PHE SER LYS PRO ARG n/a n/a
12 5MU6 Kd < 210 pM KFK C25 H29 F2 N5 O Cc1c(c(n(n....
70% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 4CAF Ki = 75 nM 370 C21 H23 N5 O2 S Cc1c(c(n[n....
2 4B10 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
3 4BBH Ki = 0.08 uM YBN C22 H23 N O4 S COc1cccc(c....
4 6MAY - YNC C35 H58 N7 O17 P3 S CC(C)(COP(....
5 2YND Ki = 32 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
6 5G22 Ki = 0.1 uM YN4 C25 H27 N5 O3 S CCOC(=O)c1....
7 4B11 ic50 = 2.3 uM 7I1 C26 H26 N2 O3 Cc1c2c(ccc....
8 6MB1 - JCY C25 H30 F N5 O Cc1c(c(n(n....
9 4CAE Ki = 18 nM 3F3 C23 H23 N3 O3 S COc1cccc(c....
10 5O48 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
11 4B12 ic50 = 10.2 uM C23 C23 H25 N O3 Cc1c2c(ccc....
12 6MB0 - JCY C25 H30 F N5 O Cc1c(c(n(n....
13 5O4V - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
14 5G1Z Ki = 4.7 uM U53 C16 H16 N2 O3 S CCOC(=O)c1....
15 6NXG - L7Y C23 H22 Cl N3 O3 c1cc(cc(c1....
16 2YNE Ki = 2.7 nM YNE C22 H25 N5 O2 S Cc1c(c(n(n....
17 4B13 ic50 = 2 uM X25 C23 H23 N3 O3 Cc1c2c(ccc....
18 4A95 ic50 = 2.9 uM 9MT C18 H22 N2 O S CCCCc1c(nc....
19 4B14 ic50 = 0.6 uM 4XB C23 H25 N O5 Cc1c2c(ccc....
20 4C68 - EN5 C27 H53 N5 O4 C1CCC(CC1)....
21 6MAZ - 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
22 6FZ5 Ki = 430 nM BXN C23 H33 Cl2 N5 O2 S Cc1c(c(n(n....
23 4C2Y - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
24 4C2Z ic50 = 17 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
25 6FZ3 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
26 5O6H ic50 = 0.013 uM 9M2 C24 H28 F N5 O Cc1c(c(n(n....
27 6FZ2 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
28 5O9V - GLY GLY CYS PHE SER LYS PRO LYS MYR n/a n/a
29 5O9U - GLY CYS SER VAL SER LYS LYS LYS MYR n/a n/a
30 6F56 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
31 5O6J ic50 = 4.6 nM 9M8 C25 H30 F N5 O Cc1c(c(n(n....
32 5O9T - 1IP CYS PHE SER LYS PRO ARG n/a n/a
33 5MU6 Kd < 210 pM KFK C25 H29 F2 N5 O Cc1c(c(n(n....
34 4C2X - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
50% Homology Family (76)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4CAF Ki = 75 nM 370 C21 H23 N5 O2 S Cc1c(c(n[n....
2 4B10 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
3 4BBH Ki = 0.08 uM YBN C22 H23 N O4 S COc1cccc(c....
4 6MAY - YNC C35 H58 N7 O17 P3 S CC(C)(COP(....
5 2YND Ki = 32 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
6 5G22 Ki = 0.1 uM YN4 C25 H27 N5 O3 S CCOC(=O)c1....
7 4B11 ic50 = 2.3 uM 7I1 C26 H26 N2 O3 Cc1c2c(ccc....
8 6MB1 - JCY C25 H30 F N5 O Cc1c(c(n(n....
9 4CAE Ki = 18 nM 3F3 C23 H23 N3 O3 S COc1cccc(c....
10 5O48 - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
11 4B12 ic50 = 10.2 uM C23 C23 H25 N O3 Cc1c2c(ccc....
12 6MB0 - JCY C25 H30 F N5 O Cc1c(c(n(n....
13 5O4V - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
14 5G1Z Ki = 4.7 uM U53 C16 H16 N2 O3 S CCOC(=O)c1....
15 6NXG - L7Y C23 H22 Cl N3 O3 c1cc(cc(c1....
16 2YNE Ki = 2.7 nM YNE C22 H25 N5 O2 S Cc1c(c(n(n....
17 4B13 ic50 = 2 uM X25 C23 H23 N3 O3 Cc1c2c(ccc....
18 4A95 ic50 = 2.9 uM 9MT C18 H22 N2 O S CCCCc1c(nc....
19 4B14 ic50 = 0.6 uM 4XB C23 H25 N O5 Cc1c2c(ccc....
20 4C68 - EN5 C27 H53 N5 O4 C1CCC(CC1)....
21 6MAZ - 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
22 5AG5 - DLR C17 H15 N3 O S c1ccc(cc1)....
23 4CYO Ki = 1.6 nM UEK C29 H30 Cl2 F N3 O3 c1cc(ccc1C....
24 2WSA Kd = 1 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
25 4A2Z - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
26 4UCP Kd = 200 uM 9X3 C13 H20 N2 O CNCc1cccc(....
27 4A33 - PS8 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
28 4CYP - A62 C21 H23 Cl2 N O3 c1cc(ccc1C....
29 4UCM Kd = 180 uM X6W C12 H15 N3 CNCc1cc(nn....
30 5G21 - YN4 C25 H27 N5 O3 S CCOC(=O)c1....
31 6GNS - F65 C30 H43 N3 O4 S CN1CCC(CC1....
32 4CYQ Ki = 59 nM YAU C29 H29 Cl2 F N2 O4 c1cc(ccc1C....
33 4CGP - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
34 6GNT - F5Q C29 H38 N4 O2 S CN1CCC(CC1....
35 2WUU ic50 = 68.7 nM NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
36 5AG6 - 5PE C16 H16 N2 O3 S COc1cc(ccc....
37 4CGL ic50 = 0.031 uM A6K C21 H24 Cl2 N2 O2 c1cc(ccc1C....
38 5AGE - M9M C23 H31 N3 O3 Cc1cc(no1)....
39 6GNU - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
40 6EU5 Ki = 2 nM BXN C23 H33 Cl2 N5 O2 S Cc1c(c(n(n....
41 5A27 Ki = 0.02 uM TUT C21 H24 Cl N3 O3 [H]/N=C(Cc....
42 4A32 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
43 4C7H - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
44 4UCN - JRB C10 H15 N3 c1ccc(c(c1....
45 4C7I - JJ1 C27 H52 N4 O5 C1CCC(CC1)....
46 6GNV - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
47 4CGN ic50 = 0.55 uM 7AH C21 H22 F N3 O c1cc(ccc1C....
48 5AG4 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
49 5G20 - QBY C23 H24 N2 O3 S CCSc1c2cc(....
50 6EWF - 31A C21 H25 N3 O3 [H]/N=C(Cc....
51 4A30 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
52 4CGM ic50 = 1.02 uM CWZ C27 H28 N4 S c1cc(cc(c1....
53 4A31 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
54 5A28 Ki = 0.01 uM TUQ C20 H24 Cl N5 O2 Cc1c(c(n(n....
55 4CGO ic50 = 0.299 uM 6KV C17 H24 N6 S CN1CCC(CC1....
56 4CYN Ki = 1406 nM A6M C21 H24 Cl2 N2 O2 c1cc(ccc1C....
57 6GNH - F4T C21 H26 N2 O5 S COc1ccc(cc....
58 6FZ5 Ki = 430 nM BXN C23 H33 Cl2 N5 O2 S Cc1c(c(n(n....
59 4C2Y - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
60 4C2Z ic50 = 17 nM 646 C21 H24 Cl2 N6 O2 S Cc1c(c(n(n....
61 6FZ3 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
62 5O6H ic50 = 0.013 uM 9M2 C24 H28 F N5 O Cc1c(c(n(n....
63 6FZ2 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
64 5O9V - GLY GLY CYS PHE SER LYS PRO LYS MYR n/a n/a
65 5O9U - GLY CYS SER VAL SER LYS LYS LYS MYR n/a n/a
66 6F56 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
67 5O6J ic50 = 4.6 nM 9M8 C25 H30 F N5 O Cc1c(c(n(n....
68 5O9T - 1IP CYS PHE SER LYS PRO ARG n/a n/a
69 5MU6 Kd < 210 pM KFK C25 H29 F2 N5 O Cc1c(c(n(n....
70 4C2X - NHW C36 H64 N7 O17 P3 S CCCCCCCCCC....
71 4QBJ - 2XQ C25 H23 F3 N2 O3 Cc1c(oc2c1....
72 4UWJ - 7L5 C21 H28 Cl2 F2 N4 O2 S Cc1c(c(n(n....
73 4UWI - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
74 1IIC - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
75 1IID - NHM C36 H64 N7 O17 P3 S CCCCCCCCCC....
76 1IYK Ki = 0.25 uM MIM C33 H52 N6 O4 Cc1nccn1CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1IP CYS PHE SER LYS PRO ARG; Similar ligands found: 120
No: Ligand ECFP6 Tc MDL keys Tc
1 1IP CYS PHE SER LYS PRO ARG 1 1
2 GLY GLY CYS PHE SER LYS PRO LYS MYR 0.614379 0.857143
3 PHE ASN ARG PRO VAL 0.568345 0.869565
4 GLY GLN VAL PRO PHE SER LYS GLU GLU CYS 0.555556 0.869565
5 GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.54375 0.927536
6 ARG PRO GLY ASN PHE LEU GLN SER ARG PRO 0.539394 0.915493
7 DPN PRO ARG 0.539062 0.80597
8 ALA ILE MET PRO ALA ARG PHE TYR PRO LYS 0.534884 0.759494
9 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.522293 0.887324
10 GLY PHE ARG PRO 0.515152 0.835821
11 PRO LYS ARG PRO THR THR LEU ASN LEU PHE 0.514793 0.875
12 GLY SER ASP PRO PHE LYS 0.514286 0.850746
13 ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.511628 0.853333
14 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.509202 0.901408
15 DPN PRO DAR CYS NH2 0.50365 0.820895
16 ARG PRO GLY ASN PHE LEU GLN SER ARG LEU 0.497076 0.914286
17 GLY ASN PHE LEU GLN SER ARG 0.493151 0.757143
18 ARG MET PHE PRO ASN ALA PRO TYR LEU 0.48538 0.822785
19 THR LYS PRO ARG 0.48062 0.791045
20 GLU LYS PRO SER SER SER 0.474074 0.820895
21 GLN VAL PRO LEU ARG PRO MET THR TYR LYS 0.472222 0.831169
22 DPN PRO DAR DTH NH2 0.471831 0.867647
23 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.46988 0.888889
24 ALA PHE ARG ILE PRO LEU THR ARG 0.469136 0.861111
25 LEU PRO PHE ASP LYS SER THR ILE MET 0.467836 0.786667
26 MAA LYS PRO PHE 0.467626 0.710145
27 CYS THR PRO SER ARG 0.464789 0.897059
28 LEU PRO PHE ASP ARG THR THR ILE MET 0.464706 0.853333
29 ARG THR PHE SER PRO THR TYR GLY LEU 0.464286 0.828947
30 ASN ARG PRO ILE LEU SER LEU 0.463576 0.873239
31 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.463415 0.885714
32 ARG PRO MET THR PHE LYS GLY ALA LEU 0.463277 0.864865
33 SER SER TYR ARG ARG PRO VAL GLY ILE 0.460606 0.84
34 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.458065 0.794521
35 ARG SEP PRO VAL PHE SER 0.45679 0.8
36 LYS PRO PHE PTR VAL ASN VAL NH2 0.453988 0.691358
37 MET SER LEU PRO GLY ARG TRP LYS PRO LYS 0.452128 0.844156
38 SER PRO LYS ARG ILE ALA 0.452055 0.855072
39 DPN PRO DAR ILE NH2 0.451389 0.771429
40 SER PRO ILE VAL PRO SER PHE ASP MET 0.451219 0.786667
41 LEU PRO PHE GLU LYS SER THR VAL MET 0.449704 0.797297
42 ARG ILE PRO SER TYR ARG TYR ARG TYR 0.449367 0.815789
43 VAL MET ALA PRO ARG THR LEU PHE LEU 0.447059 0.851351
44 LEU ASN PHE PRO ILE SER PRO 0.446667 0.819444
45 ARG GLN PHE GLY PRO ASP PHE PRO THR ILE 0.446328 0.851351
46 ALA ASN SER ARG TRP PRO ALY SER ILE ILE 0.445652 0.88
47 ALA GLN PHE SER ALA SER ALA SER ARG 0.444444 0.75
48 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.44186 0.794521
49 LYS THR PHE PRO PRO THR GLU PRO LYS 0.441718 0.814286
50 SER THR SEP PRO THR PHE ASN LYS 0.441176 0.786667
51 VAL PRO LEU ARG PRO MET THR TYR 0.440476 0.818182
52 5JP PRO LYS ARG ILE ALA 0.439716 0.842857
53 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.439306 0.74026
54 ARG PHE PRO LEU THR PHE GLY TRP CYS PHE 0.439153 0.842105
55 LEU SER SER PRO VAL THR LYS SER PHE 0.438272 0.788732
56 ILE ARG TYR PRO LYS THR PHE GLY TRP 0.4375 0.794872
57 TYR PRO LYS ARG ILE ALA 0.4375 0.783784
58 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.437126 0.757143
59 ASP VAL GLN THR GLY ARG ARG PRO TYR GLU 0.436782 0.863014
60 LYS PRO PHE PTR VAL ASN VAL GLU PHE 0.436782 0.703704
61 PHE GLN PRO GLN ASN GLY GLN PHE ILE 0.435583 0.763889
62 LEU PRO PHE ASP LYS THR THR ILE MET 0.435294 0.773333
63 LEU PRO PHE GLU ARG ALA THR VAL MET 0.435028 0.851351
64 ALA CYS SEP PRO GLN PHE GLY 0.433962 0.780822
65 TYR PRO SER LYS PRO ASP ASN PRO GLY GLU 0.431507 0.774648
66 PRO SER ILE ASP ARG SER THR LYS PRO 0.428571 0.861111
67 ARG PRO PRO ILE PHE ILE ARG ARG LEU 0.427711 0.805556
68 ACE GLN GLU ARG GLU VAL PRO CYS 0.427632 0.84058
69 LYS VAL PRO ARG ASN GLN ASP TRP LEU 0.427027 0.837838
70 SER ARG ASP HIS SER ARG THR PRO MET 0.426136 0.866667
71 ARG TYR PRO LEU THR LEU GLY TRP CYS PHE 0.425641 0.820513
72 PHE ASN PHE PRO GLN ILE THR 0.424051 0.767123
73 ALA ASN SER ARG TRP PRO THR SER ALY ILE 0.42246 0.868421
74 ASN ASP LYS TYR GLU PRO PHE TRP GLU 0.42246 0.746667
75 LEU PRO PHE GLU ARG ALA THR ILE MET 0.422222 0.84
76 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.421053 0.864865
77 ILE MET ASP GLN VAL PRO PHE SER VAL 0.421053 0.783784
78 LEU PRO SER PHE GLU THR ALA LEU 0.419753 0.802817
79 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.417647 0.734177
80 PHE PRO ARG 0.417266 0.776119
81 ARG GLN PRO ALA LYS ALA PRO LEU LEU 0.417178 0.816901
82 GLN LEU SER PRO PHE PRO PHE ASP LEU 0.414634 0.780822
83 GLN PRO PRO VAL PRO PRO GLN ARG PRO MET 0.414634 0.783784
84 ILE THR ASP GLN VAL PRO PHE SER VAL 0.414201 0.791667
85 GLU PHE SER PRO 0.413043 0.80597
86 ARG PRO MET THR TYR LYS GLY ALA LEU 0.413043 0.831169
87 ARG PRO GLN VAL PRO LEU ARG PRO MET 0.412121 0.783784
88 PRO PRO ARG PRO ILE TYR ASN ARG ASN 0.411765 0.837838
89 ARG PRO GLY ASN PHE PHE GLN SER ARG PRO 0.411043 0.826087
90 LYS ARG ARG ARG HIS PRO SER GLY 0.411043 0.898551
91 LEU GLN ARG VAL LEU SEP ALA PRO PHE 0.410714 0.802632
92 ILE ARG ALA ALA PRO PRO PRO LEU PHE 0.410714 0.819444
93 ASN GLY TYR GLU ASN PRO THR TYR LYS 0.410405 0.794521
94 PHE PRO ARG PRO TRP LEU HIS GLY LEU 0.409574 0.8
95 GLU PRO GLY GLY SER ARG 0.409396 0.895522
96 LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.409091 0.688312
97 ASN TYR THR PRO GLY PRO GLY THR ARG PHE 0.40884 0.864865
98 HIS HIS ALA SER PRO ARG LYS 0.408284 0.857143
99 ALA THR ARG ASN PHE SER GLY 0.407895 0.753623
100 ARG PRO LYS PRO LEU VAL ASP PRO 0.406667 0.760563
101 ARG PRO LYS ARG ILE ALA 0.406452 0.8
102 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.406015 0.685714
103 ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.405882 0.731707
104 THR PRO PRO SER PRO PHE 0.405594 0.811594
105 LYS PRO HIS SER ASP 0.405229 0.84058
106 ARG THR TYR SEP GLY PRO MET ASN LYS VAL 0.404145 0.795181
107 LYS ARG ARG ARG HIS PRO SER 0.403727 0.855072
108 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.403614 0.887324
109 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.403509 0.666667
110 ALA ARG SER HIS SEP TYR PRO ALA 0.402235 0.7875
111 ASN TYR THR PRO GLY PRO GLY ILE ARG PHE 0.402174 0.842105
112 ARG TYR PRO LEU THR PHE GLY TRP CYS PHE 0.40201 0.807692
113 THR PRO ARG ARG SER MLZ SER ALA 0.401316 0.835616
114 ACE PHE LYS PHE TA2 ALA LEU ARG NH2 0.401235 0.675676
115 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.401198 0.759494
116 ILE GLY PRO GLY ARG ALA PHE TYR ALA 0.4 0.763158
117 THR THR ALA PRO PHE LEU SER GLY LYS 0.4 0.816901
118 ARG PHE PRO LEU THR PHE GLY TRP 0.4 0.815789
119 ALA ASN SER ARG TRP PRO THR THR ARG LEU 0.4 0.866667
120 SER ALA PRO ASP THR ARG PRO ALA 0.4 0.9
Ligand no: 2; Ligand: MYA; Similar ligands found: 149
No: Ligand ECFP6 Tc MDL keys Tc
1 ST9 1 1
2 UCC 1 1
3 5F9 1 1
4 MFK 1 1
5 DCC 1 1
6 MYA 1 1
7 CO8 0.992126 1
8 HXC 0.945736 1
9 BCO 0.877863 0.977528
10 YNC 0.876812 0.945055
11 HDC 0.862319 1
12 GRA 0.859259 0.955556
13 1HE 0.849624 0.956044
14 1VU 0.848485 0.988764
15 SCA 0.837037 0.955556
16 IVC 0.835821 0.966292
17 3HC 0.835821 0.966292
18 MRR 0.829787 1
19 MRS 0.829787 1
20 CS8 0.828571 0.988889
21 NHM 0.822695 0.977778
22 NHW 0.822695 0.977778
23 UOQ 0.822695 0.977778
24 MLC 0.822222 0.955556
25 0ET 0.821429 0.977778
26 8Z2 0.818182 0.988889
27 ACO 0.818182 0.988764
28 HGG 0.817518 0.955556
29 CAA 0.816176 0.966292
30 3KK 0.80597 0.977528
31 COS 0.80303 0.934066
32 CAO 0.80303 0.923913
33 OXK 0.8 0.955556
34 FAQ 0.798561 0.955556
35 CO6 0.794118 0.977528
36 0T1 0.793893 0.955056
37 2MC 0.788321 0.935484
38 TGC 0.787234 0.945055
39 FYN 0.779412 0.955056
40 DCA 0.778626 0.955056
41 COO 0.776978 0.955556
42 MCA 0.776978 0.966667
43 COK 0.773723 0.934066
44 SOP 0.773723 0.955556
45 YXS 0.771429 0.887755
46 MC4 0.771429 0.925532
47 YXR 0.771429 0.887755
48 COA PLM 0.770833 0.966667
49 PLM COA 0.770833 0.966667
50 CMC 0.768116 0.934066
51 COA 0.766917 0.955056
52 COW 0.765957 0.945055
53 IRC 0.765957 0.966292
54 BYC 0.765957 0.955556
55 1GZ 0.765957 0.945055
56 KFV 0.765957 0.896907
57 AMX 0.762963 0.94382
58 30N 0.762963 0.876289
59 CAJ 0.76259 0.955556
60 BCA 0.760563 0.945055
61 CMX 0.757353 0.933333
62 A1S 0.757143 0.955556
63 2NE 0.756944 0.934783
64 3CP 0.753521 0.934066
65 COF 0.753521 0.913979
66 ETB 0.75188 0.922222
67 2CP 0.746479 0.945055
68 HAX 0.746377 0.913043
69 1CZ 0.744828 0.945055
70 SCO 0.744526 0.933333
71 NMX 0.742857 0.865979
72 2KQ 0.741259 0.977778
73 FAM 0.73913 0.913043
74 FCX 0.73913 0.903226
75 SCD 0.737589 0.933333
76 4CA 0.736111 0.923913
77 MCD 0.735714 0.955556
78 CA6 0.735714 0.887755
79 WCA 0.72973 0.934783
80 4KX 0.724832 0.924731
81 KGP 0.723404 0.887755
82 YZS 0.723404 0.887755
83 CIC 0.721088 0.934066
84 CCQ 0.721088 0.935484
85 4CO 0.716216 0.923913
86 0FQ 0.716216 0.934066
87 J5H 0.715232 0.955556
88 DAK 0.715232 0.924731
89 UCA 0.7125 0.977778
90 01A 0.711409 0.894737
91 HFQ 0.708609 0.913979
92 KGJ 0.708333 0.876289
93 1CV 0.706667 0.955556
94 KGA 0.705479 0.867347
95 CA8 0.705479 0.868687
96 YE1 0.703448 0.923077
97 LCV 0.703448 0.878788
98 SO5 0.703448 0.878788
99 1HA 0.703226 0.934783
100 NHQ 0.701299 0.944444
101 S0N 0.697987 0.913043
102 F8G 0.694268 0.93617
103 01K 0.687898 0.955556
104 7L1 0.683099 0.988764
105 CA3 0.675 0.934066
106 COT 0.672956 0.934066
107 CA5 0.664634 0.894737
108 CO7 0.657718 0.955556
109 93P 0.650602 0.923913
110 93M 0.641176 0.923913
111 N9V 0.632258 0.923913
112 COD 0.624114 0.94382
113 5TW 0.605556 0.93617
114 4BN 0.605556 0.93617
115 HMG 0.601266 0.923077
116 JBT 0.597826 0.916667
117 OXT 0.585635 0.93617
118 COA FLC 0.573333 0.922222
119 BSJ 0.548913 0.904255
120 ASP ASP ASP ILE CMC NH2 0.531073 0.913043
121 191 0.524691 0.887755
122 PAP 0.515385 0.775281
123 RFC 0.49711 0.956044
124 SFC 0.49711 0.956044
125 ACE SER ASP ALY THR NH2 COA 0.481865 0.913043
126 PPS 0.481481 0.721649
127 A3P 0.469231 0.764045
128 1ZZ 0.468531 0.866667
129 0WD 0.467949 0.755319
130 OMR 0.45098 0.877778
131 S2N 0.443662 0.688889
132 PTJ 0.428571 0.833333
133 PUA 0.426829 0.784946
134 MYR AMP 0.425676 0.846154
135 3AM 0.423077 0.752809
136 MDE 0.419689 0.978022
137 A22 0.416667 0.777778
138 9BG 0.416149 0.755319
139 NA7 0.414966 0.820225
140 5SV 0.413793 0.853933
141 YLB 0.411392 0.888889
142 PAJ 0.410959 0.844444
143 ATR 0.407143 0.764045
144 WAQ 0.402685 0.822222
145 YLP 0.401274 0.888889
146 A2R 0.4 0.777778
147 3OD 0.4 0.788889
148 HQG 0.4 0.777778
149 A2D 0.4 0.766667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5MU6; Ligand: MYA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5mu6.bio2) has 76 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5MU6; Ligand: KFK; 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: 5mu6.bio2) has 76 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5MU6; Ligand: KFK; 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: 5mu6.bio1) has 66 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5MU6; Ligand: MYA; 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: 5mu6.bio1) has 66 residues
No: Leader PDB Ligand Sequence Similarity
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