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 (2)
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
2 5OX2 - VAL GLU GLU ASP HIS VAL ALA HIS ALA n/a n/a
70% Homology Family (3)
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
3 5OX2 - VAL GLU GLU ASP HIS VAL ALA HIS ALA n/a n/a
50% Homology Family (5)
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 1OYO - 3ID C8 H7 N O2 c1c[nH]c2c....
3 1TK2 - VAL ORN LEU DPN PRO VAL ORN LEU DPN PRO n/a n/a
4 1SUA - ALA LEU ALA LEU n/a n/a
5 5OX2 - VAL GLU GLU ASP HIS VAL ALA HIS ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA LEU ALA LEU; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA LEU ALA LEU 1 1
2 LEU LEU LEU 0.576923 1
3 HIS GLU GLU LEU ALA LYS LEU 0.493151 0.8
4 ALA LEU 0.489796 0.90625
5 ALA LEU TYR ASN THR ALA ALA ALA LEU 0.476744 0.695652
6 ALA ALA ALA ALA SER ALA ALA 0.474576 0.769231
7 SER LEU ALA ASN THR VAL ALA THR LEU 0.457831 0.744186
8 ALA ALA ALA 0.44 0.8125
9 LYS LEU LYS 0.4375 0.8
10 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.432432 0.727273
11 ALA ALA ALA ALA ALA ALA ALA 0.431373 0.8125
12 LYS THR LYS LEU LEU 0.426667 0.711111
13 VAL THR SER VAL VAL 0.421875 0.794872
14 ALA LEU SER ARG GLN 0.419355 0.74359
15 ALA LEU ALA GLY ILE GLY ILE LEU THR VAL 0.418605 0.727273
16 ILE LEU SER ALA LEU VAL GLY ILE LEU 0.413793 0.744186
17 ALA GLU LYS ASP GLU LEU 0.413333 0.761905
18 ALA LYS ALA ALA 0.409091 0.717949
19 ALA DGL 0.407407 0.852941
20 GLU ASP LEU 0.40625 0.888889
21 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.402985 0.885714
22 VAL LEU GLU ASP ARG ILE 0.402597 0.864865
23 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.4 0.681818
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA LEU ALA LEU; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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