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GLASS

You can:

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	CHEMBL113529
Molecular formula	C29H40N2O5
IUPAC name	(2R,3R,4S)-1-[2-(dibutylamino)-2-oxoethyl]-2,4-bis(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	496.648
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.5
Synonyms	(2R,3R,4S)-1-Dibutylcarbamoylmethyl-2,4-bis-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50056075 1-(Dibutylcarbamoylmethyl)-2beta,4beta-bis(4-methoxyphenyl)pyrrolidine-3alpha-carboxylic acid
Inchi Key	FLKHEWXEYTUALG-KZQOYIJHSA-N
Inchi ID	InChI=1S/C29H40N2O5/c1-5-7-17-30(18-8-6-2)26(32)20-31-19-25(21-9-13-23(35-3)14-10-21)27(29(33)34)28(31)22-11-15-24(36-4)16-12-22/h9-16,25,27-28H,5-8,17-20H2,1-4H3,(H,33,34)/t25-,27-,28+/m1/s1
PubChem CID	10767586
ChEMBL	CHEMBL113529
IUPHAR	N/A
BindingDB	50056075
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4100.0 nM	PMID9022798	BindingDB,ChEMBL

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