Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA VAL PRO ILE ALA GLN LYS SER GLU F:1;
Valid;
none;
Ki = 0.5 uM
582.723 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 289 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 214 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 (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 4MU7 ic50 = 1.4 nM 2DY C34 H45 N5 O4 CC[C@@H](C....
2 4LGE ic50 = 3.5 nM 1Y0 C30 H43 N5 O4 C[C@@H](C(....
3 4HY4 ic50 = 2.7 nM 1BG C30 H45 N5 O3 C[C@@H](C(....
4 1OXQ Ki = 0.5 uM ALA VAL PRO ILE ALA GLN LYS SER GLU n/a n/a
5 3D9U Kd = 85 nM ALA VAL PRO ILE ALA GLN n/a n/a
6 5OQW ic50 < 40 nM A4E C30 H43 F N5 O3 C[C@@H]1CN....
7 6H6R - FUE C32 H36 F N5 O2 C[C@@H]1CN....
8 3UW5 Ki = 0.014 uM MAA CHG PRO 0DQ n/a n/a
9 1TW6 Ki = 0.34 nM ALA VAL PRO ILE ALA GLN LYS SER GLU n/a n/a
10 2I3H Ki = 0.04 uM ALA VAL PRO TRP n/a n/a
11 3F7H - 419 C31 H42 N4 O3 C[C@@H](C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ALA VAL PRO ILE ALA GLN LYS SER GLU; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA VAL PRO ILE ALA GLN LYS SER GLU 1 1
2 ALA VAL PRO ILE ALA GLN 0.731183 0.961538
3 ALA VAL PRO ILE ALA GLN LYS 0.678161 0.96
4 ALA VAL PRO ILE 0.590909 0.923077
5 ALA VAL PRO ALA 0.534091 0.865385
6 SER VAL PRO ILE 0.484536 0.844828
7 GLU ARG THR ILE PRO ILE THR ARG GLU 0.483333 0.738462
8 ASN LEU VAL PRO GLN VAL ALA THR VAL 0.475806 0.830508
9 ASN LEU VAL PRO THR VAL ALA THR VAL 0.45 0.830508
10 ASN LEU VAL PRO SER VAL ALA THR VAL 0.447154 0.803279
11 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.446281 0.830508
12 ASN LEU VAL PRO MET VAL ALA THR VAL 0.434109 0.777778
13 ASN LEU VAL PRO MET VAL ALA VAL VAL 0.432 0.830508
14 ASN LEU VAL PRO MET VAL ALA ALA VAL 0.432 0.830508
15 ALA VAL PRO TRP 0.426087 0.79661
16 SER ALA GLU PRO VAL PRO LEU GLN LEU 0.425197 0.803279
17 SIN ALA ALA PRO LYS 0.423077 0.867925
18 GLN ARG SER THR SEP THR PRO ASN VAL HIS 0.41791 0.701493
19 GLN ASN TYR PRO ILE VAL GLN 0.412214 0.806452
20 ILE PRO ILE 0.4 0.884615
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA VAL PRO ILE ALA GLN LYS SER GLU; 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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