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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	PD-168077
Molecular formula	C20H22N4O
IUPAC name	N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
Molecular weight	334.423
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BCP08352 Lopac0_000969 NCGC00015791-03 PD 168077 Biomol-NT_000050 D0G8VU N-[4-(2-Cyano-phenyl)-piperazin-1-ylmethyl]-3-methyl-benzamide NCGC00024977-01 PD168,077 190383-31-4 AC1MURTZ CCG-205049 L000473 NCGC00015791-01 NOCAS_44007 Tocris-1065 BDBM50058225 CHEMBL45244 LS-193029 NCGC00015791-04 PD-168,077 BPBio1_001301 DTXSID7044007 n-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methyl-benzamide NCGC00024977-02 PD168077 AKOS028108749 CHEBI:94634 Lopac-P-233 NCGC00015791-02 PD 168,077 maleate salt ZINC25758996 Benzamide, N-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methyl- CJ-17431 N-((4-(2-cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide NCGC00015791-05 BRD-K47761761-103-01-8 GTPL975 N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide NCGC00024977-03 SCHEMBL4002275 [ Show all ]
Inchi Key	DNULYRGWTFLJQL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
PubChem CID	3645619
ChEMBL	CHEMBL45244
IUPHAR	975
BindingDB	50058225
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
64668	5-hydroxytryptamine receptor 1A	Q64264	Htr1a	Mus musculus (Mouse)	421
64665	5-hydroxytryptamine receptor 2A	P28223	HTR2A	Homo sapiens (Human)	471
64667	Adenosine receptor A2b	P29276	Adora2b	Rattus norvegicus (Rat)	332
64673	Alpha-2A adrenergic receptor	P22909	Adra2a	Rattus norvegicus (Rat)	450
64669	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
64671	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
64666	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
64670	D(2) dopamine receptor	P20288	DRD2	Bos taurus (Bovine)	444
64674	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
64664	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467
553574	D(4) dopamine receptor	P30729	Drd4	Rattus norvegicus (Rat)	387
64675	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460

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