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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	CHEMBL3959210
Molecular formula	C14H18ClN5O3
IUPAC name	(1R,2R,3S,4R,5S)-4-[2-chloro-6-(dimethylamino)purin-9-yl]-1-(hydroxymethyl)bicyclo[3.1.0]hexane-2,3-diol
Molecular weight	339.78
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	0.3
Synonyms	BDBM50199474
Inchi Key	BSBLYPMZOLQTAO-RUVJYUCVSA-N
Inchi ID	InChI=1S/C14H18ClN5O3/c1-19(2)11-7-12(18-13(15)17-11)20(5-16-7)8-6-3-14(6,4-21)10(23)9(8)22/h5-6,8-10,21-23H,3-4H2,1-2H3/t6-,8-,9+,10+,14+/m1/s1
PubChem CID	134155462
ChEMBL	CHEMBL3959210
IUPHAR	N/A
BindingDB	50199474
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	>50.0 %	PMID27933810	ChEMBL

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