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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	BDBM50068818
Molecular formula	C32H39N5O6
IUPAC name	methyl 1-[3-[[2,6-dimethyl-3-(methylcarbamoyl)-4-(4-nitrophenyl)-3,4-dihydropyridine-5-carbonyl]amino]propyl]-4-phenylpiperidine-4-carboxylate
Molecular weight	589.693
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.9
Synonyms	1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridine-3-carbonyl]-amino}-propyl)-4-phenyl-piperidine-4-carboxylic acid methyl ester
Inchi Key	AGNYFINNIVFBHA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
PubChem CID	53641825
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50068818
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
5058	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
5063	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
5060	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
5065	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
5059	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
5062	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
5057	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
5064	Alpha-2B adrenergic receptor	P18089	ADRA2B	Homo sapiens (Human)	450
5056	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462
5055	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
5061	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359

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