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Ligand

NameCHEMBL2115415
Molecular formulaC34H38Cl2N2O6S
IUPAC name[(2R)-2-(3,4-dichlorophenyl)-2-[2-[(2S)-2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl]ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight673.646
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.7
SynonymsSB19659
UNII-VGDEDKUKP2
BDBM50403793
CS-003
191672-52-3
[ Show all ]
Inchi KeyRWSBBXFLRGQFQP-RKCQUONGSA-N
Inchi IDInChI=1S/C34H38Cl2N2O6S/c1-41-29-18-24(19-30(42-2)31(29)43-3)32(39)38-16-17-44-33(22-38,25-8-9-27(35)28(36)20-25)10-13-37-14-11-34(12-15-37)26-7-5-4-6-23(26)21-45(34)40/h4-9,18-20H,10-17,21-22H2,1-3H3/t33-,45-/m0/s1
PubChem CID9831641
ChEMBLCHEMBL2115415
IUPHARN/A
BindingDB50403793
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
306976Neuromedin-K receptorP30098TACR3Cavia porcellus (Guinea pig)440
306977Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402
306978Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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