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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	MLS000551396
Molecular formula	C22H20BrClN4O3
IUPAC name	4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxobutanoic acid
Molecular weight	503.781
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.7
Synonyms	4-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl}-4-oxobutanoic acid cid_1386650 ST50759232 4-[4-[6-bromanyl-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxidanylidene-butanoic acid AC1LR1RG 4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazino]-4-keto-butyric acid Oprea1_609645 4-{4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazinyl}-4-oxobutanoic aci d HMS1612M05 UNM000003651101 4-[4-[6-bromo-4-(2-chlorophenyl)-2-quinazolinyl]-1-piperazinyl]-4-oxobutanoic acid AKOS001487544 MLS002581926 4-{4-[6-Bromo-4-(2-chloro-phenyl)-quinazolin-2-yl]-piperazin-1-yl}-4-oxo-butyric acid CHEMBL1333441 SMR000145321 451461-22-6 HMS2173K14 ZINC8686187 4-[4-[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]piperazin-1-yl]-4-oxobutanoic acid BDBM41499 MolPort-000-248-129 [ Show all ]
Inchi Key	CJWRZEGXLDKDGH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20BrClN4O3/c23-14-5-6-18-16(13-14)21(15-3-1-2-4-17(15)24)26-22(25-18)28-11-9-27(10-12-28)19(29)7-8-20(30)31/h1-6,13H,7-12H2,(H,30,31)
PubChem CID	1386650
ChEMBL	CHEMBL1333441
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
43774	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
468281	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
43772	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
43775	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
43773	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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