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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Rattus norvegicus (Rat)
Gene	Htr1b
Synonym	HTR1D2 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled 5-HT1Dbeta 5-HT1DB 5-HT1B serotonin receptor 5-HT1B receptor 5-HT1B 5-HT-1B Serotonin receptor 1B [ Show all ]
Disease	N/A for non-human GPCRs
Length	386
Amino acid sequence	MEEQGIQCAPPPPATSQTGVPLANLSHNCSADDYIYQDSIALPWKVLLVALLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVDYSAKRTPKRAAIMIVLVWVFSISISLPPFFWRQAKAEEEVLDCFVNTDHVLYTVYSTVGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRVPEVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFNWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTG
UniProt	P28564
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	CHEMBL3459
IUPHAR	2
DrugBank	N/A

Ligand

Name	(R)-Metoprolol
Molecular formula	C15H25NO3
IUPAC name	(2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular weight	267.369
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.9
Synonyms	(2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol 91324-77-5 CHEMBL1741004 UNII-GEB06NHM23 component IUBSYMUCCVWXPE-CQSZACIVSA-N (R)-1-(Isopropylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol AKOS030242833 DTXSID20230862 81024-43-3 C-23811 r-metoprolol (2R)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol AC1L4IJT CTK8F2048 ZINC1530718 BDBM81884 FT-0672382 (+)-Metoprolol SCHEMBL40918 (R)-(+)-Metoprolol AJ-26686 d-Metoprolol 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-, (2R)- BIDD:GT0581 NCGC00021148-01 [ Show all ]
Inchi Key	IUBSYMUCCVWXPE-CQSZACIVSA-N
Inchi ID	InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/t14-/m1/s1
PubChem CID	157717
ChEMBL	CHEMBL1741004
IUPHAR	N/A
BindingDB	81884
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID1968985	BindingDB

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