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Ligand

NameCHEMBL1643587
Molecular formulaC28H37N3O3S2
IUPAC nameN-cyclopentyl-N-[[2-[4-[(2,2-dimethylpropylamino)methyl]phenyl]-1,3-thiazol-4-yl]methyl]-4-methoxybenzenesulfonamide
Molecular weight527.742
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50417691
Inchi KeyAIIRTNRFIHOHNN-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37N3O3S2/c1-28(2,3)20-29-17-21-9-11-22(12-10-21)27-30-23(19-35-27)18-31(24-7-5-6-8-24)36(32,33)26-15-13-25(34-4)14-16-26/h9-16,19,24,29H,5-8,17-18,20H2,1-4H3
PubChem CID53316695
ChEMBLCHEMBL1643587
IUPHARN/A
BindingDB50417691
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6243Oxytocin receptorP30559OXTRHomo sapiens (Human)389
6245Vasopressin V1a receptorP37288AVPR1AHomo sapiens (Human)418
6244Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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