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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.
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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	CHEMBL3144735
Molecular formula	C20H16ClF3N2O4
IUPAC name	4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Molecular weight	440.803
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.6
Synonyms	4-(7-Chloro-benzo[1,3]dioxol-5-ylmethyl)-2-(3-methoxy-benzyl)-5-trifluoromethyl-2H-pyrazol-3-ol CHEMBL285345 1-(3-Methoxybenzyl)-3-(trifluoromethyl)-4-(7-chloro-1,3-benzodioxole-5-ylmethyl)-1H-pyrazole-5-ol BDBM50089729
Inchi Key	FNTQFPKVSOBPAO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H16ClF3N2O4/c1-28-13-4-2-3-11(5-13)9-26-19(27)14(18(25-26)20(22,23)24)6-12-7-15(21)17-16(8-12)29-10-30-17/h2-5,7-8,25H,6,9-10H2,1H3
PubChem CID	44276946
ChEMBL	CHEMBL3144735
IUPHAR	N/A
BindingDB	50089729
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	5400.0 nM	PMID10890162	BindingDB,ChEMBL

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