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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Endothelin receptor type B
Species	Rattus norvegicus (Rat)
Gene	Ednrb
Synonym	HSCR ETB receptor ET-BR ET-B Endothelin receptor non-selective type endothelin B receptor HSCR2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	442
Amino acid sequence	MQSSASRCGRALVALLLACGLLGVWGEKRGFPPAQATPSLLGTKEVMTPPTKTSWTRGSNSSLMRSSAPAEVTKGGRVAGVPPRSFPPPCQRKIEINKTFKYINTIVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINAYKLLAGDWPFGAEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEAIGFDVITSDYKGKPLRVCMLNPFQKTAFMQFYKTAKDWWLFSFYFCLPLAITAIFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQSNPQRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQTFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProt	P21451
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4631
IUPHAR	220
DrugBank	N/A

Ligand

Name	CHEMBL356972
Molecular formula	C22H25N3O4S
IUPAC name	N-(4,6-dimethoxypyrimidin-2-yl)-2-[4-(2-methylpropyl)phenyl]benzenesulfonamide
Molecular weight	427.519
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50068749 N-(4,6-Dimethoxypyrimidine-2-yl)-4'-(2-methylpropyl)-1,1'-biphenyl-2-sulfonamide 4''-Isobutyl-biphenyl-2-sulfonic acid (4,6-dimethoxy-pyrimidin-2-yl)-amide
Inchi Key	DMDOZLAWJSQBRQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25N3O4S/c1-15(2)13-16-9-11-17(12-10-16)18-7-5-6-8-19(18)30(26,27)25-22-23-20(28-3)14-21(24-22)29-4/h5-12,14-15H,13H2,1-4H3,(H,23,24,25)
PubChem CID	10526510
ChEMBL	CHEMBL356972
IUPHAR	N/A
BindingDB	50068749
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	50000.0 nM	PMID9857090	BindingDB,ChEMBL

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