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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	CHEMBL88011
Molecular formula	C24H23ClN2O6S
IUPAC name	2-[(3-carboxycyclohexyl)methyl]-4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-thiophen-2-ylpyrazole-3-carboxylic acid
Molecular weight	502.966
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM50094000 SCHEMBL7476675 2-(3-Carboxy-cyclohexylmethyl)-4-(6-chloro-benzo[1,3]dioxol-5-ylmethyl)-5-thiophen-2-yl-2H-pyrazole-3-carboxylic acid
Inchi Key	BJMVDHLIEILKHD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23ClN2O6S/c25-17-10-19-18(32-12-33-19)9-15(17)8-16-21(20-5-2-6-34-20)26-27(22(16)24(30)31)11-13-3-1-4-14(7-13)23(28)29/h2,5-6,9-10,13-14H,1,3-4,7-8,11-12H2,(H,28,29)(H,30,31)
PubChem CID	17885920
ChEMBL	CHEMBL88011
IUPHAR	N/A
BindingDB	50094000
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	9.9 nM	PMID11086733	BindingDB,ChEMBL

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