Receptor
PDB id Resolution Class Description Source Keywords
2H9K 1.75 Å EC: 3.2.1.17 STRUCTURE OF HEN EGG WHITE LYSOZYME SOAKED WITH NI-CYCLAM GALLUS GALLUS LYSOZYME CYCLAM HYDROLASE
Ref.: CONFIGURATIONS OF NICKEL-CYCLAM ANTIVIRAL COMPLEXES AND PROTEIN RECOGNITION. CHEMISTRY V. 13 40 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:203;
A:204;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
MM6 A:201;
A:202;
 Valid;
Valid;
 none;
none;
 submit data
254.986 C10 H20 N4 Ni C1CN2...
NA A:205;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4HP0 1.19 Å EC: 3.2.1.17 CRYSTAL STRUCTURE OF HEN EGG WHITE LYSOZYME IN COMPLEX WITH GALLUS GALLUS LYSOZYME CARBOHYDRATE HYDROLASE-HYDROLASE INHIBITOR COMPLE
Ref.: A NOVEL TRANSITION-STATE ANALOGUE FOR LYSOZYME, 4-O-BETA-TRI-N-ACETYLCHITOTRIOSYL MORANOLINE, PROVI EVIDENCE SUPPORTING THE COVALENT GLYCOSYL-ENZYME INTERMEDIATE. J.BIOL.CHEM. V. 288 6072 2013
Members (56)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 4Z46 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 4YEO - CPT Cl2 H6 N2 Pt [NH3][Pt](....
3 6WRM - U8G C14 H23 N3 O4 Rh CC(C)(C)OC....
4 1AT5 Kd = 0.0000666 M NAG NAG NAG n/a n/a
5 4OWA - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
6 1LZY - NDG NAG n/a n/a
7 3A3Q - NAG NAG NAG n/a n/a
8 4HP0 Kd = 0.76 uM NAG NOJ NAG NAG n/a n/a
9 6BO1 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
10 6SYD - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
11 6QEA - J9H C17 H18 N3 Pt Cc1ccc2ccc....
12 6GOH - F7T C15 H15 Cl2 N3 O3 Pt S c1ccc2c(c1....
13 1HEW Kd = 10 uM NAG NAG NAG n/a n/a
14 6QNB - NAG NAG NAG n/a n/a
15 3QE8 - REI C6 H6 N2 O4 Re C1=C[N](=C....
16 4XN6 - BAM C7 H9 N2 c1ccc(cc1)....
17 1LZB Kd = 13 uM NAG NAG NAG n/a n/a
18 2H9K - MM6 C10 H20 N4 Ni C1CN2CCN3[....
19 4TUN - MVH C6 H12 N O5 P CC(=CC(=O)....
20 5NJP - NAG NAG NAG n/a n/a
21 4Z41 - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
22 1T3P - RU7 C10 H14 Cl2 Ru CC(C)C12=[....
23 5NJQ - NAG NAG NAG n/a n/a
24 1LZC - NAG NAG NAG NAG n/a n/a
25 4HPI Kd = 14.2 uM NAG NOJ NAG n/a n/a
26 2H9J - MM5 C28 H48 N8 Ni2 c1cc(ccc1C....
27 6TVL - NYN C8 H16 N2 Ru S3 C1C[N-][Ru....
28 4XEN - NAG NAG NAG NAG n/a n/a
29 1UIB - NAG NAG NAG n/a n/a
30 6SYE - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
31 6RNB - NAG NAG NAG n/a n/a
32 5NJR - NAG NAG NAG n/a n/a
33 4ZEE Kd = 1.51 mM 1PT C6 H14 N2 Pt C1CC[C@@H]....
34 4PRQ - T3Y C28 H24 O16 S4 c1c(cc2c(c....
35 3TXJ - NAG C8 H15 N O6 CC(=O)N[C@....
36 1JEF - NAG NAG NAG n/a n/a
37 1YIK - MM1 C10 H24 Cu N4 C1C[N@@H]2....
38 1LZG Kd = 0.14 mM NAG NAG n/a n/a
39 3QNG - REJ C6 H6 N O6 Re C([C@H]1C(....
40 6FSJ - CIT C6 H8 O7 C(C(=O)O)C....
41 1LJN - NAG NAG n/a n/a
42 6SYC - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
43 5NJS - NAG NAG NAG n/a n/a
44 1YL1 - ETF C2 H3 F3 O C(C(F)(F)F....
45 1B0D - TSU C7 H8 O3 S Cc1ccc(cc1....
46 1LZE Kd = 83 uM NAG NAG NAG NAG n/a n/a
47 4Z3M - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
48 1UIH - NAG NAG NAG n/a n/a
49 1AT6 Kd = 0.000085 M NAG NAG NAG n/a n/a
50 1YIL - MM2 C28 H54 Cu2 N8 c1cc(ccc1C....
51 6BO2 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
52 2PC2 - PDC C7 H5 N O4 c1cc(nc(c1....
53 4N8Z - BEN C7 H8 N2 [H]/N=C(c1....
54 5B5J - UTX C21 H29 B12 N6 O5 S B1234B567B....
55 6RNC - NAG NAG NAG n/a n/a
56 6GOB - F6Q C15 H15 Cl2 N3 O3 Pd S c1ccc2c(c1....
70% Homology Family (67)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4Z46 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 4YEO - CPT Cl2 H6 N2 Pt [NH3][Pt](....
3 6WRM - U8G C14 H23 N3 O4 Rh CC(C)(C)OC....
4 1AT5 Kd = 0.0000666 M NAG NAG NAG n/a n/a
5 4OWA - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
6 1LZY - NDG NAG n/a n/a
7 3A3Q - NAG NAG NAG n/a n/a
8 4HP0 Kd = 0.76 uM NAG NOJ NAG NAG n/a n/a
9 6BO1 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
10 6SYD - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
11 6QEA - J9H C17 H18 N3 Pt Cc1ccc2ccc....
12 6GOH - F7T C15 H15 Cl2 N3 O3 Pt S c1ccc2c(c1....
13 1HEW Kd = 10 uM NAG NAG NAG n/a n/a
14 6QNB - NAG NAG NAG n/a n/a
15 3QE8 - REI C6 H6 N2 O4 Re C1=C[N](=C....
16 4XN6 - BAM C7 H9 N2 c1ccc(cc1)....
17 1LZB Kd = 13 uM NAG NAG NAG n/a n/a
18 2H9K - MM6 C10 H20 N4 Ni C1CN2CCN3[....
19 4TUN - MVH C6 H12 N O5 P CC(=CC(=O)....
20 5NJP - NAG NAG NAG n/a n/a
21 4Z41 - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
22 1T3P - RU7 C10 H14 Cl2 Ru CC(C)C12=[....
23 5NJQ - NAG NAG NAG n/a n/a
24 1LZC - NAG NAG NAG NAG n/a n/a
25 4HPI Kd = 14.2 uM NAG NOJ NAG n/a n/a
26 2H9J - MM5 C28 H48 N8 Ni2 c1cc(ccc1C....
27 6TVL - NYN C8 H16 N2 Ru S3 C1C[N-][Ru....
28 4XEN - NAG NAG NAG NAG n/a n/a
29 1UIB - NAG NAG NAG n/a n/a
30 6SYE - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
31 6RNB - NAG NAG NAG n/a n/a
32 5NJR - NAG NAG NAG n/a n/a
33 4ZEE Kd = 1.51 mM 1PT C6 H14 N2 Pt C1CC[C@@H]....
34 4PRQ - T3Y C28 H24 O16 S4 c1c(cc2c(c....
35 3TXJ - NAG C8 H15 N O6 CC(=O)N[C@....
36 1JEF - NAG NAG NAG n/a n/a
37 1YIK - MM1 C10 H24 Cu N4 C1C[N@@H]2....
38 1LZG Kd = 0.14 mM NAG NAG n/a n/a
39 3QNG - REJ C6 H6 N O6 Re C([C@H]1C(....
40 6FSJ - CIT C6 H8 O7 C(C(=O)O)C....
41 1LJN - NAG NAG n/a n/a
42 6SYC - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
43 5NJS - NAG NAG NAG n/a n/a
44 1YL1 - ETF C2 H3 F3 O C(C(F)(F)F....
45 1B0D - TSU C7 H8 O3 S Cc1ccc(cc1....
46 1LZE Kd = 83 uM NAG NAG NAG NAG n/a n/a
47 4Z3M - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
48 1UIH - NAG NAG NAG n/a n/a
49 1AT6 Kd = 0.000085 M NAG NAG NAG n/a n/a
50 1YIL - MM2 C28 H54 Cu2 N8 c1cc(ccc1C....
51 6BO2 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
52 2PC2 - PDC C7 H5 N O4 c1cc(nc(c1....
53 4N8Z - BEN C7 H8 N2 [H]/N=C(c1....
54 5B5J - UTX C21 H29 B12 N6 O5 S B1234B567B....
55 6RNC - NAG NAG NAG n/a n/a
56 6GOB - F6Q C15 H15 Cl2 N3 O3 Pd S c1ccc2c(c1....
57 1LMP - NDG NAG NAG n/a n/a
58 1BB6 Ka = 500000 M^-1 UMG C34 H47 N3 O18 CC1=CC(=O)....
59 1LMO - NAG NAG n/a n/a
60 1BB7 Ka = 15000 M^-1 GUM C26 H34 N2 O13 CC1=CC(=O)....
61 1LMQ - NDG NAG NAG NAG n/a n/a
62 1LMC - BUL C16 H29 N3 O14 S2 CC(=O)N[C@....
63 1LZR - NAG NAG NAG NAG n/a n/a
64 1LZS - NAG NAG n/a n/a
65 1LMT - NAG NAG NAG n/a n/a
66 1BB5 - NAG NAG NAG n/a n/a
67 1LSZ - NDG NAG NAG NAG n/a n/a
50% Homology Family (69)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4Z46 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 4YEO - CPT Cl2 H6 N2 Pt [NH3][Pt](....
3 6WRM - U8G C14 H23 N3 O4 Rh CC(C)(C)OC....
4 1AT5 Kd = 0.0000666 M NAG NAG NAG n/a n/a
5 4OWA - QPT C6 H12 N2 O4 Pt C1CC2(C1)C....
6 1LZY - NDG NAG n/a n/a
7 3A3Q - NAG NAG NAG n/a n/a
8 4HP0 Kd = 0.76 uM NAG NOJ NAG NAG n/a n/a
9 6BO1 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
10 6SYD - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
11 6QEA - J9H C17 H18 N3 Pt Cc1ccc2ccc....
12 6GOH - F7T C15 H15 Cl2 N3 O3 Pt S c1ccc2c(c1....
13 1HEW Kd = 10 uM NAG NAG NAG n/a n/a
14 6QNB - NAG NAG NAG n/a n/a
15 3QE8 - REI C6 H6 N2 O4 Re C1=C[N](=C....
16 4XN6 - BAM C7 H9 N2 c1ccc(cc1)....
17 1LZB Kd = 13 uM NAG NAG NAG n/a n/a
18 2H9K - MM6 C10 H20 N4 Ni C1CN2CCN3[....
19 4TUN - MVH C6 H12 N O5 P CC(=CC(=O)....
20 5NJP - NAG NAG NAG n/a n/a
21 4Z41 - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
22 1T3P - RU7 C10 H14 Cl2 Ru CC(C)C12=[....
23 5NJQ - NAG NAG NAG n/a n/a
24 1LZC - NAG NAG NAG NAG n/a n/a
25 4HPI Kd = 14.2 uM NAG NOJ NAG n/a n/a
26 2H9J - MM5 C28 H48 N8 Ni2 c1cc(ccc1C....
27 6TVL - NYN C8 H16 N2 Ru S3 C1C[N-][Ru....
28 4XEN - NAG NAG NAG NAG n/a n/a
29 1UIB - NAG NAG NAG n/a n/a
30 6SYE - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
31 6RNB - NAG NAG NAG n/a n/a
32 5NJR - NAG NAG NAG n/a n/a
33 4ZEE Kd = 1.51 mM 1PT C6 H14 N2 Pt C1CC[C@@H]....
34 4PRQ - T3Y C28 H24 O16 S4 c1c(cc2c(c....
35 3TXJ - NAG C8 H15 N O6 CC(=O)N[C@....
36 1JEF - NAG NAG NAG n/a n/a
37 1YIK - MM1 C10 H24 Cu N4 C1C[N@@H]2....
38 1LZG Kd = 0.14 mM NAG NAG n/a n/a
39 3QNG - REJ C6 H6 N O6 Re C([C@H]1C(....
40 6FSJ - CIT C6 H8 O7 C(C(=O)O)C....
41 1LJN - NAG NAG n/a n/a
42 6SYC - LYE C19 H10 Br4 O5 S c1ccc(c(c1....
43 5NJS - NAG NAG NAG n/a n/a
44 1YL1 - ETF C2 H3 F3 O C(C(F)(F)F....
45 1B0D - TSU C7 H8 O3 S Cc1ccc(cc1....
46 1LZE Kd = 83 uM NAG NAG NAG NAG n/a n/a
47 4Z3M - 4KV C13 H18 Cl O3 Pt S3 CCSC1=[S][....
48 1UIH - NAG NAG NAG n/a n/a
49 1AT6 Kd = 0.000085 M NAG NAG NAG n/a n/a
50 1YIL - MM2 C28 H54 Cu2 N8 c1cc(ccc1C....
51 6BO2 - E3D C9 H10 Cl2 N2 Ru Cn1c2ccccc....
52 2PC2 - PDC C7 H5 N O4 c1cc(nc(c1....
53 4N8Z - BEN C7 H8 N2 [H]/N=C(c1....
54 5B5J - UTX C21 H29 B12 N6 O5 S B1234B567B....
55 6RNC - NAG NAG NAG n/a n/a
56 6GOB - F6Q C15 H15 Cl2 N3 O3 Pd S c1ccc2c(c1....
57 1LMP - NDG NAG NAG n/a n/a
58 1BB6 Ka = 500000 M^-1 UMG C34 H47 N3 O18 CC1=CC(=O)....
59 1LMO - NAG NAG n/a n/a
60 1BB7 Ka = 15000 M^-1 GUM C26 H34 N2 O13 CC1=CC(=O)....
61 1LMQ - NDG NAG NAG NAG n/a n/a
62 1LMC - BUL C16 H29 N3 O14 S2 CC(=O)N[C@....
63 1LZR - NAG NAG NAG NAG n/a n/a
64 1LZS - NAG NAG n/a n/a
65 1LMT - NAG NAG NAG n/a n/a
66 1BB5 - NAG NAG NAG n/a n/a
67 6T6C - NAG NAG NAG NAG n/a n/a
68 2H5Z - NAG NAG NAG n/a n/a
69 1LSZ - NDG NAG NAG NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MM6; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MM6 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: MM6; Similar ligands found: 23
No: Ligand Similarity coefficient
1 MM2 0.9950
2 MM1 0.9885
3 MM5 0.9688
4 LI6 0.9034
5 4AN 0.8999
6 18N 0.8930
7 MXX 0.8841
8 ZVO 0.8838
9 KIF 0.8782
10 MT8 0.8758
11 FLV 0.8756
12 MT5 0.8720
13 226 0.8676
14 CLZ 0.8628
15 GCW 0.8595
16 CFF 0.8593
17 MVL 0.8592
18 06B 0.8583
19 TVP 0.8575
20 VK3 0.8569
21 GIM 0.8546
22 DNA 0.8541
23 BDP 0.8522
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4HP0; Ligand: NAG NOJ NAG NAG; 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: 4hp0.bio1) has 29 residues
No: Leader PDB Ligand Sequence Similarity
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