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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	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	SCHEMBL9056865 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
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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