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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

Ligand

Name	JNJ-10392980
Molecular formula	C20H22N2O3
IUPAC name	2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole
Molecular weight	338.407
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.5
Synonyms	2-[4-(2-Piperidin-1-yl-ethoxy)-phenoxy]-benzooxazole D00UIN BDBM24203 SCHEMBL2170316 2-{4-[2-(piperidin-1-yl)ethoxy]phenoxy}-1,3-benzoxazole Benzoxazole compound, 10b ZINC36377694 CHEMBL481863 841200-46-2 KB-306080 benzoxazole,2-[4-[2-(1-piperidinyl)ethoxy]phenoxy]- ZIQGASWXUSSORV-UHFFFAOYSA-N [ Show all ]
Inchi Key	ZIQGASWXUSSORV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N2O3/c1-4-12-22(13-5-1)14-15-23-16-8-10-17(11-9-16)24-20-21-18-6-2-3-7-19(18)25-20/h2-3,6-11H,1,4-5,12-15H2
PubChem CID	11739248
ChEMBL	CHEMBL481863
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	>10.0 %	PMID18588282	ChEMBL

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