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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 1D
Species	Sus scrofa (Pig)
Gene	HTR1D
Synonym	5-HT-1D 5-HT1D Serotonin receptor 1D
Disease	N/A for non-human GPCRs
Length	291
Amino acid sequence	AMTDLLVSILVMPISIPYTITQTWSFGQLLCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAAAMIAIVWAISICISIPPLFWRQARAHEEISDCLVNTSQISYTIYSTCGAFYIPSLLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNPSLHEGHSHSAGSPLFFNHVKIKLADSVLERKRISAARERKATKTLGIILGAFIICWLPFFVASLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKVV
UniProt	P79400
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	CHEMBL4105
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	23869-98-9
Molecular formula	C16H24N2O2
IUPAC name	1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol
Molecular weight	276.38
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.5
Synonyms	1-tert.butylamino-3-(2-methyl-indole-4-yloxy)-2-propanol 62658-85-9 Indole-2,4-methylaminopropoxy-N-tert-butyl tartrate PDSP1_001222 2-Debenzoyl rac Bopindolol BGQHPLYSXBZMQG-UHFFFAOYSA-N MCULE-7804650113 Sandoz-21-009 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]-2-propanol 4-(2-Hydroxy-3-tert-butylaminopropoxy)-2-methylindole CTK2F7431 NCGC00246579-01 Sdz 21-009 1-[(2-methyl-1H-indol-4-yl)oxy]-3-(tert-butylamino)propan-2-ol AC1L48TL KS-00001SUT PDSP2_001206 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((2-methyl-1H-indol-4-yl)oxy)- C21520 MLS000540501 SCHEMBL6449606 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-ol 4-(3-t-Butylamino-2-hydroxypropoxy)-2-methylindole HMS2280L19 Oprea1_317174 SMR000125759 12L-933 AKOS005080664 L001311 San 21009 1-((2-Methyl-1H-indol-4-yl)oxy)-3-(tert-butylamino)propan-2-ol CHEMBL1878625 MolPort-002-857-185 SCHEMBL6449612 [ Show all ]
Inchi Key	BGQHPLYSXBZMQG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H24N2O2/c1-11-8-13-14(18-11)6-5-7-15(13)20-10-12(19)9-17-16(2,3)4/h5-8,12,17-19H,9-10H2,1-4H3
PubChem CID	152662
ChEMBL	N/A
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
Ki	3890.0 nM	Waeber et al., PMID1988, Schlicker et al., PMID1989	PDSP

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