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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL50530
Molecular formula	C24H34N2O4
IUPAC name	2-[4-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]butyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
Molecular weight	414.546
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	3.6
Synonyms	3-{4-[N-PROPYL-N-(5-METHOXY-3-CHROMANYL)AMINO]BUTYL}-2,4-DIOXO-3-AZABICYCLO[3.3.0]OCTANE SCHEMBL9305464 CHEMBL1178932 2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl}-tetrahydro-cyclopenta[c]pyrrole-1,3-dione; compound with oxalic acid LS-58203 3-[4-[[(5-Methoxy-3,4-dihydro-2H-1-benzopyran)-3-yl]propylamino]butyl]-3-azabicyclo[3.3.0]octane-2,4-dione PEJFBWCDCTVGLS-UHFFFAOYSA-N BDBM50036852 L005759 [ Show all ]
Inchi Key	PEJFBWCDCTVGLS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H34N2O4/c1-3-12-25(17-15-20-21(29-2)10-7-11-22(20)30-16-17)13-4-5-14-26-23(27)18-8-6-9-19(18)24(26)28/h7,10-11,17-19H,3-6,8-9,12-16H2,1-2H3
PubChem CID	10251234
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50036852
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	20000.0 nM	PMID7912735	BindingDB
IC50	30000.0 nM	PMID7912735	BindingDB

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