Receptor
PDB id Resolution Class Description Source Keywords
1SUA 2.1 Å EC: 3.4.21.62 SUBTILISIN BPN' BACILLUS AMYLOLIQUEFACIENS COMPLEX (HYDROLASE/PEPTIDE) HYDROLASE SERINE PROTEINASE
Ref.: CRYSTAL STRUCTURE OF CALCIUM-INDEPENDENT SUBTILISIN BPN' WITH RESTORED THERMAL STABILITY FOLDED WITHOUT THE PRODOMAIN. PROTEINS V. 31 21 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA LEU ALA LEU C:674;
Valid;
none;
submit data
386.493 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1SUA 2.1 Å EC: 3.4.21.62 SUBTILISIN BPN' BACILLUS AMYLOLIQUEFACIENS COMPLEX (HYDROLASE/PEPTIDE) HYDROLASE SERINE PROTEINASE
Ref.: CRYSTAL STRUCTURE OF CALCIUM-INDEPENDENT SUBTILISIN BPN' WITH RESTORED THERMAL STABILITY FOLDED WITHOUT THE PRODOMAIN. PROTEINS V. 31 21 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1SUA - ALA LEU ALA LEU n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1TK2 - VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO n/a n/a
2 1SUA - ALA LEU ALA LEU n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2B6N - ALA PRO THR n/a n/a
2 1PJ8 - PRO ALA PRO PHE PRO ALA NH2 n/a n/a
3 1P7W - PRO ALA PRO PHE ALA SER ALA n/a n/a
4 1PFG - ACE PRO ALA PRO PHE ALA ALA ALA ALA NH2 n/a n/a
5 1OYO - 3ID C8 H7 N O2 c1c[nH]c2c....
6 1TK2 - VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO n/a n/a
7 1SUA - ALA LEU ALA LEU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA LEU ALA LEU; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA LEU ALA LEU 1 1
2 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.679245 1
3 ALA LEU 0.659091 0.83871
4 LEU LEU LEU 0.576923 1
5 HIS GLU GLU LEU ALA LYS LEU 0.552239 0.815789
6 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.537313 0.72093
7 PHE GLU ALA LYS LYS LEU VAL 0.522388 0.815789
8 ALA ALA ALA ALA SER ALA ALA 0.474576 0.763158
9 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.471264 0.673913
10 SER LEU ALA ASN THR VAL ALA THR LEU 0.451219 0.72093
11 ALA ALA ALA 0.44 0.806452
12 LYS LEU LYS 0.435484 0.815789
13 ALA ALA ALA ALA ALA ALA ALA 0.431373 0.806452
14 ALA ALA ALA ALA ALA ALA 0.431373 0.806452
15 ALA ALA ALA ALA 0.431373 0.806452
16 ARG ASP ARG ALA ALA LYS LEU 0.428571 0.673913
17 ALA LYS ALA ALA 0.421875 0.72973
18 VAL THR SER VAL VAL 0.421875 0.789474
19 PHE LEU 0.419355 0.794118
20 LEU ALA SER LEU GLU SER GLN SER 0.417722 0.704545
21 ALA LEU ALA GLY ILE GLY ILE LEU THR VAL 0.413793 0.72093
22 GLU ASP LEU 0.412698 0.885714
23 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.411765 0.659091
24 ALA DGL 0.407407 0.787879
25 ILE LEU SER ALA LEU VAL GLY ILE LEU 0.404494 0.738095
26 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.402985 0.882353
27 ALA LYS 0.4 0.675676
28 LYS THR LYS LEU LEU 0.4 0.72093
Similar Binding Sites (Proteins are less than 50% similar to leader)
Feedback