Receptor
PDB id Resolution Class Description Source Keywords
1OXN 2.2 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE AND FUNCTION ANALYSIS OF PEPTIDE ANTAGONISTS OF ME INHIBITOR OF APOPTOSIS (ML-IAP) HOMO SAPIENS ZINC BINDING PEPTIDE COMPLEX APOPTOSIS INHIBITION APOPTOSPEPTIDE COMPLEX
Ref.: STRUCTURE AND FUNCTION ANALYSIS OF PEPTIDE ANTAGONI MELANOMA INHIBITOR OF APOPTOSIS (ML-IAP) BIOCHEMISTRY V. 42 8223 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA GLU ALA VAL PRO TRP LYS SER GLU F:1;
Valid;
none;
Ki = 2.1 uM
372.422 n/a O=C(N...
P33 D:1300;
Invalid;
none;
submit data
326.383 C14 H30 O8 C(COC...
ZN A:1001;
B:1002;
C:1003;
D:1004;
E:1005;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OXQ 2.3 Å NON-ENZYME: SIGNAL_HORMONE STRUCTURE AND FUNCTION ANALYSIS OF PEPTIDE ANTAGONISTS OF ME INHIBITOR OF APOPTOSIS (ML-IAP) HOMO SAPIENS ZINC BINDING PEPTIDE COMPLEX APOPTOSIS INHIBITION APOPTOSPEPTIDE COMPLEX
Ref.: STRUCTURE AND FUNCTION ANALYSIS OF PEPTIDE ANTAGONI MELANOMA INHIBITOR OF APOPTOSIS (ML-IAP) BIOCHEMISTRY V. 42 8223 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 301 families.
1 1OXN Ki = 2.1 uM ALA GLU ALA VAL PRO TRP LYS SER GLU n/a n/a
2 1OXQ Ki = 0.5 uM ALA VAL PRO ILE ALA GLN LYS SER GLU n/a n/a
3 3F7G - 389 C27 H36 N4 O3 C[C@@H](C(....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 221 families.
1 1OXN Ki = 2.1 uM ALA GLU ALA VAL PRO TRP LYS SER GLU n/a n/a
2 1OXQ Ki = 0.5 uM ALA VAL PRO ILE ALA GLN LYS SER GLU n/a n/a
3 3F7G - 389 C27 H36 N4 O3 C[C@@H](C(....
4 3UW5 Ki = 0.014 uM MAA CHG PRO 0DQ n/a n/a
5 1TW6 Ki = 0.34 nM ALA VAL PRO ILE ALA GLN LYS SER GLU n/a n/a
6 2I3H Ki = 0.04 uM ALA VAL PRO TRP n/a n/a
7 3F7H - 419 C31 H42 N4 O3 C[C@@H](C(....
8 3GTA - 851 C29 H36 N4 O2 S C[C@@H](C(....
9 3GT9 - 516 C29 H36 N4 O2 S C[C@@H](C(....
10 2I3I Ki = 0.05 uM 618 C25 H32 N6 O3 S Cc1cc(n(n1....
11 3F7I - G13 C28 H38 N4 O3 C[C@@H](C(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 1OXN Ki = 2.1 uM ALA GLU ALA VAL PRO TRP LYS SER GLU n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ALA GLU ALA VAL PRO TRP LYS SER GLU; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA GLU ALA VAL PRO TRP LYS SER GLU 1 1
2 ALA GLU ALA ALA GLN ALA 0.617647 0.942857
3 ALA THR LYS ALA SEP GLN GLU LEU 0.493827 0.708333
4 ARG GLU ALA ALA 0.473684 0.75
5 ALA DGL 0.473684 0.911765
6 TYR ASP GLN ILE ILE ILE 0.466667 0.864865
7 ALA ZGL 0.465517 0.941176
8 ALA LYS ALA ALA 0.463768 0.769231
9 ILE GLU ILE 0.462687 0.916667
10 ALA GLU ASP ASP VAL GLU 0.44 0.894737
11 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.432432 0.727273
12 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.416667 0.790698
13 LEU THR GLU PTR VAL ALA THR ARG 0.41573 0.62963
14 ALA LYS ALA SER GLN ALA ALA 0.411765 0.727273
15 ALA GLU 0.409836 0.882353
16 ALA MET ARG VAL 0.407407 0.632653
17 ALA LYS ALA ILE ALA 0.407407 0.731707
18 LEU ASP GLU PTR VAL ALA THR ARG 0.406593 0.666667
19 ALA THR ALA ALA ALA THR GLU ALA TYR 0.406593 0.717391
20 ALA LEU ALA LEU 0.402985 0.885714
21 ALA ILE GLU THR ASA 0.402439 0.785714
22 LYS ALA ARG VAL LEU ALA GLU ALA MET SER 0.4 0.693878
23 LYS ALA ARG VAL LEU ALA GLU ALA MET 0.4 0.693878
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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