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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	MLS000533685
Molecular formula	C14H8F3N3O4S2
IUPAC name	2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole
Molecular weight	403.35
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.2
Synonyms	HMS2292L13 ZINC1170858 BDBM57129 MolPort-002-200-443 2-({2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl}thio)-1H-benzimidazole cid_1336753 SR-01000667620 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]-1H-benzimidazole AC1LPRHP MCULE-8444970281 REGID_for_CID_1336753 2-[(2-nitro-4-triflyl-phenyl)thio]-1H-benzimidazole F1472-0074 SR-01000667620-2 300696-27-9 AKOS001030535 2-((2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)thio)-1H-benzo[d]imidazole CHEMBL1390139 SMR000141130 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanyl-1H-benzimidazole [ Show all ]
Inchi Key	CNXPXYYJQNDCLC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H8F3N3O4S2/c15-14(16,17)26(23,24)8-5-6-12(11(7-8)20(21)22)25-13-18-9-3-1-2-4-10(9)19-13/h1-7H,(H,18,19)
PubChem CID	1336753
ChEMBL	CHEMBL1390139
IUPHAR	N/A
BindingDB	57129
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
46416	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
46415	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
46418	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
46417	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
46414	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384

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