Reaction Details Report a problem with these data
Target
Integrase
Ligand
BDBM50076273
Substrate
n/a
Meas. Tech.
ChEMBL_88763 (CHEMBL701797)
Kd
3000±n/a nM
Citation
 Sotriffer, CA; Ni, H; McCammon, JA Active site binding modes of HIV-1 integrase inhibitors. J Med Chem 43:4109-17 (2000) [PubMed]  Article 
Target
Name:
Integrase
Synonyms:
Human immunodeficiency virus type 1 integrase
Type:
PROTEIN
Mol. Mass.:
32231.48
Organism:
Human immunodeficiency virus 1
Description:
ChEMBL_90865
Residue:
288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSNFTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
  
Inhibitor
Name:
BDBM50076273
Synonyms:
(2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-succinic acid | 1-chicoricacid | CHEMBL282731 | Cichoric acid (CHA) | HIV-1 Integrase Inhibitor | L-chicoric acid | cichoric acid
Type:
Small organic molecule
Emp. Form.:
C22H18O12
Mol. Mass.:
474.3711
SMILES:
OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: