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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	CHEMBL3144803
Molecular formula	C19H15Cl2F3N2O2
IUPAC name	4-[(3,4-dichlorophenyl)methyl]-2-[(3-methoxyphenyl)methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Molecular weight	431.236
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.5
Synonyms	1-(3-Methoxybenzyl)-3-(trifluoromethyl)-4-(3,4-dichlorobenzyl)-1H-pyrazole-5-ol BDBM50089717 CHEMBL432456 4-(3,4-Dichloro-benzyl)-2-(3-methoxy-benzyl)-5-trifluoromethyl-2H-pyrazol-3-ol SCHEMBL9056865
Inchi Key	FTLFNXVHQDKHKE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15Cl2F3N2O2/c1-28-13-4-2-3-12(7-13)10-26-18(27)14(17(25-26)19(22,23)24)8-11-5-6-15(20)16(21)9-11/h2-7,9,25H,8,10H2,1H3
PubChem CID	44276947
ChEMBL	CHEMBL3144803
IUPHAR	N/A
BindingDB	50089717
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	8400.0 nM	PMID10890162	BindingDB,ChEMBL

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