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Target
Integrase
Ligand
BDBM50125577
Substrate
n/a
Meas. Tech.
ChEMBL_968021 (CHEMBL2401273)
IC50
3000±n/a nM
Citation
 Zhao, L; Chmielewski, J Inhibition of HIV-1 integrase dimerization and activity with crosslinked interfacial peptides. Bioorg Med Chem 21:4041-4 (2013) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
Integrase | int
Type:
PROTEIN
Mol. Mass.:
32028.36
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_118431
Residue:
286
Sequence:
FLDGIDKAQEDHEKYHSNWRAMASDFNMPPIAKEIVASCDKCQQKGEAIHGQVDCSPGIWQLDCTHLEGKIILVAVHVASGYIEAEVIPAETGQETAYFILKLAGRWPVKRIHTDNGSNFTSAAVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKLQNFRVYFRDSRDPLWKGPAKLLWKGEGAVVIQDKSDIKVVPRRKAKIIRYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50125577
Synonyms:
AGERIVDIIATDIQ-CONH2 | CHEMBL265887
Type:
Small organic molecule
Emp. Form.:
C65H113N19O22
Mol. Mass.:
1512.7068
SMILES:
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)CC)C(C)C)[C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(N)=O
Structure:
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