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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	MLS000684823
Molecular formula	C18H14BrClN2O4
IUPAC name	methyl 1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate
Molecular weight	437.674
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.8
Synonyms	BDBM70948 methyl 1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4,5-dihydro-1H-pyrazole-3-carboxylate SMR000268117 MLS-0289945.0001 HMS2595I15 Opera_ID_247 BIM-0044053.P001 methyl 1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylate SR-01000226722 1-(3-bromobenzoyl)-5-(4-chlorophenyl)-5-hydroxy-2-pyrazoline-3-carboxylic acid methyl ester CHEMBL1406895 AC1MEU9O HMS3381P10 REGID_for_CID_2884240 CBMicro_044029 methyl 1-(3-bromophenyl)carbonyl-5-(4-chlorophenyl)-5-oxidanyl-4H-pyrazole-3-carboxylate SR-01000226722-1 1-[(3-bromophenyl)-oxomethyl]-5-(4-chlorophenyl)-5-hydroxy-4H-pyrazole-3-carboxylic acid methyl ester cid_2884240 MolPort-002-182-781 [ Show all ]
Inchi Key	SQBIDZGSWLVWJR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H14BrClN2O4/c1-26-17(24)15-10-18(25,12-5-7-14(20)8-6-12)22(21-15)16(23)11-3-2-4-13(19)9-11/h2-9,25H,10H2,1H3
PubChem CID	2884240
ChEMBL	CHEMBL1406895
IUPHAR	N/A
BindingDB	70948
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
320449	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
320450	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
320451	C-X-C chemokine receptor type 5	P32302	CXCR5	Homo sapiens (Human)	372
320452	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
502470	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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