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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	HE-NECA
Molecular formula	C18H24N6O4
IUPAC name	(2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	388.428
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	0.8
Synonyms	EU-0100635 NCGC00094002-02 SR-01000075918 141018-30-6 PDSP1_001061 2-Hexynyl-5'-ethylcarboxamidoadenosine BDBM50453224 Lopac0_000635 PDSP2_001045 (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynylpurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide 2-Hexynyladenosine-5'-N-ethylcarboxamide GTPL373 PDSP1_000292 SR-01000075918-1 2-(1-Hexyn-1-yl)adenosine-5 inverted exclamation marka-N-ethyluronamide AC1L4US1 HE-NECA, solid, >=98% (HPLC) PDSP2_000291 (2S,3S,4R,5R)-5-(6-Amino-2-hex-1-ynyl-purin-9-yl)-N-ethyl-3,4-dihydroxy-oxolane-2-carboxamide 2-Hexynyl-5'-N-ethylcarboxamidoadenosine beta-D-Ribosuranuronamide, 1-(6-amino-2-(1-hexynyl)-9H-purin-9-yl)-1-deoxy-N-ethyl- CHEMBL410873 NCGC00094002-01 SCHEMBL8102867 (2s,3s,4r,5r)-5-[6-amino-2-(hex-1-yn-1-yl)-9h-purin-9-yl]-n-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide(non-preferred name) H 8034 PDSP1_000974 ZINC3779696 2-Hexynyl-5 inverted exclamation marka-ethylcarboxamidoadenosine AC1Q5OOO CCG-204723 Heneca PDSP2_000958 (2S,3S,4R,5R)-5-(6-amino-2-hex-1-ynyl-purin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide 2-Hexynyl-NECA [ Show all ]
Inchi Key	FDEACFAXFCKCHZ-MOROJQBDSA-N
Inchi ID	InChI=1S/C18H24N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/t12-,13+,14-,18+/m0/s1
PubChem CID	164437
ChEMBL	CHEMBL410873
IUPHAR	373
BindingDB	50453224
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
75504	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
553647	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
75505	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
75506	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
553648	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
75509	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
553646	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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