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Ligand

NameCHEMBL464921
Molecular formulaC21H27N3O3S2
IUPAC name(1S,4R)-1-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular weight433.585
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP3.3
SynonymsAC1LT0Y6
(1R,4S)-4-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-3-one
BDBM50412583
Inchi KeyAEHYZDRSKXITQV-QVKFZJNVSA-N
Inchi IDInChI=1S/C21H27N3O3S2/c1-20(2)15-7-8-21(20,18(25)13-15)14-29(26,27)24-11-9-23(10-12-24)19-22-16-5-3-4-6-17(16)28-19/h3-6,15H,7-14H2,1-2H3/t15-,21-/m1/s1
PubChem CID1448380
ChEMBLCHEMBL464921
IUPHARN/A
BindingDB50412583
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3482C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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