BDBM86421 CAS_79617-96-2::NSC_68617::SERTRALINE

SMILES CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc12

InChI Key InChIKey=VGKDLMBJGBXTGI-UHFFFAOYSA-N

Data  3 KI

PDB links: 6 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 86421   

TargetSodium-dependent serotonin transporter(Homo sapiens (Human))
Eli Lilly

Curated by PDSP K_i Database

LigandBDBM86421(CAS_79617-96-2 | NSC_68617 | SERTRALINE)Copy SMILESCopy InChI

Affinity DataKi:  0.900nMMore data for this Ligand-Target Pair

Target InfoPDBReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI

TargetSodium-dependent dopamine transporter(Homo sapiens (Human))
Eli Lilly

Curated by PDSP K_i Database

LigandBDBM86421(CAS_79617-96-2 | NSC_68617 | SERTRALINE)Copy SMILESCopy InChI

Affinity DataKi:  26nMMore data for this Ligand-Target Pair

Target InfoNCI pathwayReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI

TargetSodium-dependent noradrenaline transporter(Homo sapiens (Human))
Eli Lilly

Curated by PDSP K_i Database

LigandBDBM86421(CAS_79617-96-2 | NSC_68617 | SERTRALINE)Copy SMILESCopy InChI

Affinity DataKi:  715nMMore data for this Ligand-Target Pair

Target InfoReactome pathwayKEGG
UniProtKB/SwissProt
DrugBankantibodypediaGoogleScholar

Ligand InfoPurchasePC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
Copy BDB DOI