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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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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	RU 24969
Molecular formula	C14H16N2O
IUPAC name	5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Molecular weight	228.295
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	1.8
Synonyms	GTPL23 NCGC00024867-02 RU-24,969 1H-Indole, 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)- 5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole AKOS005135871 CHEMBL18785 L001328 PDSP1_001617 SR-01000597981 3-(1,2,3,6-tetrahydropyridin-4-yl)-5-methoxy-1H-indole 66611-26-5 Biomol-NT_000116 D03PJW EN300-39806 MolPort-003-983-322 PDSP2_001607 UNII-2ISE72RACC 5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole AC1L337E CHEBI:92005 HY-16688 NE18708 RU-24969 5-methoxy-3-(1,2,3,6-tetrahydropyridine-4-yl)-1H-indole API0006969 CS-3218 LS-187325 PDSP1_001623 SR-01000597981-1 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole BPBio1_000177 DB-073775 FT-0745673 NCGC00024867-01 ZINC2568243 5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole(RU-24969) AC1Q4F1Q KRVMLPUDAOWOGN-UHFFFAOYSA-N NSC_108028 SCHEMBL2359264 2ISE72RACC 5-methoxy-3-(1,2,5,6-tetrahydropyrid-4-yl)indole BDBM81498 CTK1J4546 MCULE-3532976182 PDSP2_001601 Tocris-0912 5-methoxy-3-(1,2,3,6-tetrahydro-4-pyridyl)-1h-indole AB00698348-04 CAS_108028 DTXSID40276045 [ Show all ]
Inchi Key	KRVMLPUDAOWOGN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16N2O/c1-17-11-2-3-14-12(8-11)13(9-16-14)10-4-6-15-7-5-10/h2-4,8-9,15-16H,5-7H2,1H3
PubChem CID	108029
ChEMBL	CHEMBL18785
IUPHAR	23
BindingDB	81498
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	2.0 nM	PMID2374139	BindingDB,ChEMBL
IC50	6.0 nM	PMID23542166	ChEMBL
Ki	0.36 nM	PMID7984267	BindingDB
Ki	1.58 nM	PMID7984267	BindingDB
Ki	2.57 nM	PMID7984267	BindingDB
Ki	4.0 nM	PMID3543362, PMID1738111	BindingDB,ChEMBL

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