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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	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	ABT-866
Molecular formula	C12H15N3O2S
IUPAC name	N-[3-(1H-imidazol-5-ylmethyl)phenyl]ethanesulfonamide
Molecular weight	265.331
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.4
Synonyms	Ethanesulfonic acid [3-(1H-imidazol-4-ylmethyl)-phenyl]-amide ABT 866 N-[3-(1H-imidazol-4-ylmethyl)-phenyl]ethanesulfonamide 258526-74-8 Ethanesulfonamide, N-(3-(1H-imidazol-5-ylmethyl)phenyl)- UNII-P7JGJ12E1W A 286666 N-(3-((1H-imidazol-4-yl)methyl)phenyl)ethanesulfonamide CHEMBL326702 P7JGJ12E1W 371790-02-2 Ethanesulfonamide, N-[3-(1H-imidazol-5-ylmethyl)phenyl]- A-286666 BDBM50118705 N-(3-(1H-imidazol-4-ylmethyl)phenyl)ethanesulfonamide Ethanesulfonamide, N-(3-(1H-imidazol-4-ylmethyl)phenyl)- SCHEMBL5612868 [ Show all ]
Inchi Key	ROUIPNDCVDWYEH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
PubChem CID	9838192
ChEMBL	CHEMBL326702
IUPHAR	N/A
BindingDB	50118705
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	691.83 nM	Med Chem Res, (2004) 13:3:134	ChEMBL
Efficacy	11.0 %	Med Chem Res, (2004) 13:3:134	ChEMBL
Kd	3981.07 nM	PMID12238918	ChEMBL
Kd	4073.8 nM	PMID18378462, Med Chem Res, (2004) 13:3:134	ChEMBL

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