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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.
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	Alpha-1B adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1b
Synonym	adrenergic receptor alpha 1B-adrenoceptor alpha 1B-adrenoreceptor adrenergic alpha 1B receptor Alpha-1B adrenoceptor Alpha-1B adrenoreceptor alpha1B-adrenergic receptor alpha1B-adrenoceptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProt	P15823
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	CHEMBL315
IUPHAR	23
DrugBank	N/A

Ligand

Name	RS-67506
Molecular formula	C18H28ClN3O4S
IUPAC name	N-[2-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide
Molecular weight	417.949
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	1.7
Synonyms	GTPL3230 PDSP2_001629 Biomol-NT_000147 N-[2-[4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide RS67506 CAS_133075 CHEMBL83899 NSC_133075 UATDVRSFFGFTAI-UHFFFAOYSA-N AJ-23660 L000652 RS 67506 1-(4-Amino-5-chloro-2-methoxyphenyl)-3-[1-(2-methylsulfonylaminoethyl)-4-piperidinyl]-1-propanone BPBio1_000485 NCGC00024921-01 SCHEMBL548884 CHEBI:92869 D07OSA PDSP1_001645 ZINC600432 BDBM84951 N-(2-{4-[3-(4-amino-5-chloro-2-methoxyphenyl)-3-oxopropyl]piperidin-1-yl}ethyl)methanesulfonamide 1-[4-Amino-5-chloro-2-methoxyphenyl]-3-{1-[2-(methylsulfonyl) aminoethyl]-piperidin-4-yl}propan-1-one BRD-K50018155-003-01-3 NCGC00024921-02 Tocris-0990 AC1L324X [ Show all ]
Inchi Key	UATDVRSFFGFTAI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H28ClN3O4S/c1-26-18-12-16(20)15(19)11-14(18)17(23)4-3-13-5-8-22(9-6-13)10-7-21-27(2,24)25/h11-13,21H,3-10,20H2,1-2H3
PubChem CID	133076
ChEMBL	CHEMBL83899
IUPHAR	3230
BindingDB	84951
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	PMID8564196	BindingDB

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