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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	Sus scrofa (Pig)
Gene	EDNRB
Synonym	Endothelin receptor non-selective type ET-B ET-BR
Disease	N/A for non-human GPCRs
Length	443
Amino acid sequence	MQPLRSLCGRALVALIFACGVAGVQSEERGFPPAGATPPALRTGEIVAPPTKTFWPRGSNASLPRSSSPPQMPKGGRMAGPPARTLTPPPCEGPIEIKDTFKYINTVVSCLVFVLGIIGNSTLLRIIYKNKCMRNGPNILIASLALGDLLHIIIDIPINVYKLLAEDWPFGVEMCKLVPFIQKASVGITVLSLCALSIDRYRAVASWSRIKGIGVPKWTAVEIVLIWVVSVVLAVPEALGFDMITTDYKGNRLRICLLHPTQKTAFMQFYKTAKDWWLFSFYFCLPLAITAFFYTLMTCEMLRKKSGMQIALNDHLKQRREVAKTVFCLVLVFALCWLPLHLSRILKLTLYDQNDSNRCELLSFLLVLDYIGINMASLNSCINPIALYLVSKRFKNCFKSCLCCWCQSFEEKQSLEEKQSCLKFKANDHGYDNFRSSNKYSSS
UniProt	P35463
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	CHEMBL3949
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL112832
Molecular formula	C30H38N2O5
IUPAC name	(2R,3R,4S)-4-(1-benzofuran-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	506.643
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	4-Benzofuran-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid (2R,3R,4S)-4-Benzofuran-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid 1-(Dibutylcarbamoylmethyl)-2beta-(4-methoxyphenyl)-4beta-(benzofuran-5-yl)pyrrolidine-3alpha-carboxylic acid BDBM50056071
Inchi Key	CSDXUYVBDBLUJV-ZJGIAAPESA-N
Inchi ID	InChI=1S/C30H38N2O5/c1-4-6-15-31(16-7-5-2)27(33)20-32-19-25(22-10-13-26-23(18-22)14-17-37-26)28(30(34)35)29(32)21-8-11-24(36-3)12-9-21/h8-14,17-18,25,28-29H,4-7,15-16,19-20H2,1-3H3,(H,34,35)/t25-,28-,29+/m1/s1
PubChem CID	10391487
ChEMBL	CHEMBL112832
IUPHAR	N/A
BindingDB	50056071
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5100.0 nM	PMID9022798	BindingDB,ChEMBL

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