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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	MLS000043821
Molecular formula	C16H11ClFN5O
IUPAC name	4-[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
Molecular weight	343.746
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.9
Synonyms	TimTec1_003735 4-[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine MolPort-002-711-049 SMR000021032 4-[1-(2-chloro-4-fluorobenzyl)-1H-1,3-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine AC1LBTJD Furazan-3-amine, 4-[1-(2-chloro-4-fluorobenzyl)-2-benzimidazolyl]- ST051397 4-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine BDBM37418 MCULE-6180363662 ZINC35182 4-{1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl}-1,2,5-oxadiazole-3-yl amine CHEMBL1390396 Oprea1_753363 SR-01000534306 4-[1-(2-Chloro-4-fluorobenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine AKOS001757234 HMS1544J17 STK765542 4-[1-[(2-chloro-4-fluorophenyl)methyl]-2-benzimidazolyl]-1,2,5-oxadiazol-3-amine BRD-K02671247-001-01-2 REGID_for_CID_588745 [4-[1-(2-chloro-4-fluoro-benzyl)benzimidazol-2-yl]furazan-3-yl]amine A2603/0110610 cid_588745 SR-01000534306-1 4-[1-(2-Chloro-4-fluorobenzyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine # AOLLHGYQIPWYEK-UHFFFAOYSA-N HMS2348N22 [ Show all ]
Inchi Key	AOLLHGYQIPWYEK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H11ClFN5O/c17-11-7-10(18)6-5-9(11)8-23-13-4-2-1-3-12(13)20-16(23)14-15(19)22-24-21-14/h1-7H,8H2,(H2,19,22)
PubChem CID	588745
ChEMBL	CHEMBL1390396
IUPHAR	N/A
BindingDB	37418
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
10336	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
464141	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
10338	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378
10337	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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