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TargetHuman immunodeficiency virus type 1 integrase
LigandBDBM50088351
Substrate/Competitorn/a
Meas. Tech.ChEMBL_88615
IC50 20600±n/a nM
Citation Carlson HAMasukawa KMRubins KBushman FDJorgensen WLLins RDBriggs JMMcCammon JA Developing a dynamic pharmacophore model for HIV-1 integrase. J Med Chem 43:2100-14 (2000) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Human immunodeficiency virus type 1 integrase
Name:Human immunodeficiency virus type 1 integrase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:32231.48
Organism:Human immunodeficiency virus 1
Description:ChEMBL_90865
Residue:288
Sequence:
FLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHGQVDCSPGI
WQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTIHTDNGSN
FTSTTVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHLKTAVQMAV
FIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQNFRVYYRDSRDPLWKGPAK
LLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED
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  Blast E-value cutoff:
BDBM50088351
n/a
NameBDBM50088351
Synonyms:2-[2,15,17,29-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-13-methylcarbonyloxy-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-27-yloxy]acetic acid | CHEMBL216962
TypeSmall organic molecule
Emp. Form.C51H65N5O14
Mol. Mass.972.0869
SMILESCOC1\C=C\OC2(C)Oc3c(C2=O)c2c(O)c(C=NN4C(C)CN(Cc5ccc(cc5)[N+]([O-])=O)CC4C)c(NC(=O)\C(C)=C/C=C/C(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)c(O)c2c(O)c3C |c:45,t:3,47|
Structure
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