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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	CHEMBL356315
Molecular formula	C27H34N6O
IUPAC name	(1R,2S)-1-phenyl-1-[[1-[3-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]propyl]piperidin-4-yl]amino]propan-2-ol
Molecular weight	458.61
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	3.3
Synonyms	(1R,2S)-1-Phenyl-1-{1-[3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-propan-2-ol BDBM50083092 SCHEMBL4580516 (1R,2S)-1-[[1-[3-[5-(4H-1,2,4-Triazole-4-yl)-1H-indole-3-yl]propyl]piperidine-4-yl]amino]-1-phenyl-2-propanol
Inchi Key	AMZZHMUOOCFWEG-DCFHFQCYSA-N
Inchi ID	InChI=1S/C27H34N6O/c1-20(34)27(21-6-3-2-4-7-21)31-23-11-14-32(15-12-23)13-5-8-22-17-28-26-10-9-24(16-25(22)26)33-18-29-30-19-33/h2-4,6-7,9-10,16-20,23,27-28,31,34H,5,8,11-15H2,1H3/t20-,27-/m0/s1
PubChem CID	10813769
ChEMBL	CHEMBL356315
IUPHAR	N/A
BindingDB	50083092
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	150.0 nM	PMID10585208	BindingDB,ChEMBL

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