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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	CHEMBL3144737
Molecular formula	C21H17F5N2O4
IUPAC name	4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-one
Molecular weight	456.369
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	4.7
Synonyms	SCHEMBL9055432 1-(3-Methoxybenzyl)-3-(pentafluoroethyl)-4-(1,3-benzodioxole-5-ylmethyl)-1H-pyrazole-5-ol BDBM50089715 4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)-5-pentafluoroethyl-2H-pyrazol-3-ol CHEMBL285605 L014721 [ Show all ]
Inchi Key	GMLUFYKKSDCOBG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H17F5N2O4/c1-30-14-4-2-3-13(7-14)10-28-19(29)15(18(27-28)20(22,23)21(24,25)26)8-12-5-6-16-17(9-12)32-11-31-16/h2-7,9,27H,8,10-11H2,1H3
PubChem CID	44213279
ChEMBL	CHEMBL3144737
IUPHAR	N/A
BindingDB	50089715
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	3300.0 nM	PMID10890162	BindingDB,ChEMBL

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