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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Saredutant
Molecular formula	C31H35Cl2N3O2
IUPAC name	N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
Molecular weight	552.54
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.9
Synonyms	GTPL3481 PDSP1_000659 SR 48968 SR48968C N-((S)-beta-(2-(4-Acetamido-4-phenylpiperidino)ethyl)-3,4-dichlorophenethyl)-N-methylbenzamide Saredutant [INN] SR-48965 [3H]-SR49868 AC1L2XTE D05WJQ DTXSID00161923 N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide SR 48,968 SR-48968C [3H]SR48968 142001-63-6 Benzamide, N-((2S)-4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl- HY-106910 PDSP2_000650 SR 48968C UNII-720U2QK8I5 CHEMBL308148 N-[(2S)-4-(4-acetamido-4-phenyl-1-piperidyl)-2-(3,4-dichlorophenyl)butyl]-N-methyl-benzamide SB19660 SR-48968 [3H]saredutant (S)-N-Methyl-N(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide AN-5342 D0B9KT GTPL2111 N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide SR 48965 SR48968 Benzamide, N-(4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-, (S)- LS-25204 SR-48,968 ZINC3927605 720U2QK8I5 CS-0026895 N-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide SCHEMBL185911 SR-489686 [3H]SR48,968 125S414 BDBM50071484 [ Show all ]
Inchi Key	PGKXDIMONUAMFR-AREMUKBSSA-N
Inchi ID	InChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
PubChem CID	104974
ChEMBL	CHEMBL308148
IUPHAR	3481, 2111
BindingDB	50071484
DrugBank	DB06660
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
259147	Neuromedin-K receptor	P30098	TACR3	Cavia porcellus (Guinea pig)	440
554560	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
259144	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
259145	Substance-K receptor	P05363	TACR2	Bos taurus (Bovine)	384
259146	Substance-K receptor	P51144	TACR2	Mesocricetus auratus (Golden hamster)	384
259149	Substance-K receptor	P16610	Tacr2	Rattus norvegicus (Rat)	390
259150	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
259152	Substance-K receptor	Q64077	TACR2	Cavia porcellus (Guinea pig)	402
259143	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
259151	Substance-P receptor	P14600	Tacr1	Rattus norvegicus (Rat)	407

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