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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 1B
Species	Cavia porcellus (Guinea pig)
Gene	HTR1B
Synonym	5-HT-1B 5-HT1B Serotonin receptor 1B
Disease	N/A for non-human GPCRs
Length	389
Amino acid sequence	MGNPEASCTPPAVLGSQTGLPHANVSAPPNNCSAPSHIYQDSIALPWKVLLVVLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAFTDLLVSILVMPISTMYTVTGRWTLGQALCDFWLSSDITCCTASIMHLCVIALDRYWAITDAVGYSAKRTPRRAAGMIALVWVFSICISLPPFFWRQAKAEEEVLDCLVNTDHVLYTVYSTGGAFYLPTLLLIALYGRIYVEARSRILKQTPNKTGKRLTRAQLITDSPGSTSSVTSINSRAPEVPCDSGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGVILGAFIVCWLPFFIISLVMPICKDACWFHMAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTT
UniProt	O08892
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	N/A
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	1-Methyllysergic acid butanolamide
Molecular formula	C21H27N3O2
IUPAC name	N-(1-hydroxybutan-2-yl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	353.466
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.3
Synonyms	CHEBI:91995 Ergoline-8-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethyl-, [8.beta.(S)]- L001319 AC1L1HJY (+)-9,10-Didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethylergoline-8.beta.-carboxamide Ergoline-8-carboxamide, 9,10-didehydro-N-[(S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-, (8.beta.)- 1-Methyl-D-lysergic acid butanolamide Ergoline-8.beta.-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethyl- N-[1-(Hydroxymethyl)propyl]-1,6-dimethyl-9,10-didehydroergoline-8.beta.-carboxamide # BRD-A98725278-103-01-9 (+)-N-[1-(Hydroxymethyl)propyl]-1-methyllysergamide, (D) Ergoline-8-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethyl-, (8.beta.)- KPJZHOPZRAFDTN-UHFFFAOYSA-N [ Show all ]
Inchi Key	KPJZHOPZRAFDTN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)
PubChem CID	4163
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	186.209 nM	PMID11888550	PDSP

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