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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	CHEMBL3951018
Molecular formula	C21H25Cl2N5O3S
IUPAC name	4-amino-3,5-dichloro-N-[4-(2-cyanopyrrol-1-yl)-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
Molecular weight	498.423
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.1
Synonyms	SCHEMBL1036899 BDBM50198920
Inchi Key	ZYSPBBJRIQHKDF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25Cl2N5O3S/c1-14-4-8-28(9-5-14)21(29)19(6-10-27-7-2-3-15(27)13-24)26-32(30,31)16-11-17(22)20(25)18(23)12-16/h2-3,7,11-12,14,19,26H,4-6,8-10,25H2,1H3
PubChem CID	58509213
ChEMBL	CHEMBL3951018
IUPHAR	N/A
BindingDB	50198920
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
547852	5-hydroxytryptamine receptor 2A	P14842	Htr2a	Rattus norvegicus (Rat)	471
547853	5-hydroxytryptamine receptor 4	O70528	HTR4	Cavia porcellus (Guinea pig)	388
547858	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
547860	C-C chemokine receptor type 1	P32246	CCR1	Homo sapiens (Human)	355
547851	C-C chemokine receptor type 10	P46092	CCR10	Homo sapiens (Human)	362
547868	C-C chemokine receptor type 10	Q9JL21	Ccr10	Mus musculus (Mouse)	362
547869	C-C chemokine receptor type 2	P41597	CCR2	Homo sapiens (Human)	374
547863	C-C chemokine receptor type 5	P51681	CCR5	Homo sapiens (Human)	352
547867	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
547861	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360
547862	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368
547855	Calcitonin gene-related peptide type 1 receptor	Q16602	CALCRL	Homo sapiens (Human)	461
547864	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
547857	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
547865	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
547856	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
547854	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359
547859	Histamine H4 receptor	Q9H3N8	HRH4	Homo sapiens (Human)	390
547866	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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