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GPCR

Name	Alpha-1B adrenergic receptor
Species	Mesocricetus auratus (Golden hamster)
Gene	ADRA1B
Synonym	Alpha-1B adrenoceptor Alpha-1B adrenoreceptor
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAQWGELKDANFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRSGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGSQRTLPSASPSPGYLGRGAQPPLELCAYPEWKSGALLSLPEPPGRRGRLDSGPLFTFKLLGEPESPGTEGDASNGGCDATTDLANGQPGFKSNMPLAPGHF
UniProt	P18841
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	CHEMBL3122
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	5-Methylurapidil
Molecular formula	C21H31N5O3
IUPAC name	6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3,5-trimethylpyrimidine-2,4-dione
Molecular weight	401.511
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.9
Synonyms	BDBM50033112 GTPL489 Lopac0_001275 NCGC00016067-04 SCHEMBL6375436 Urapidil, 5-Methyl- 2,4(1H,3H)-Pyrimidinedione,6-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3,5-trimethyl- 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3,5-trimethylpyrimidine-2,4-dione HMS3373B21 MFCD00078602 NCGC00094511-02 SR-01000075287-1 5 Methylurapidil AC1Q6CC3 D0V6DJ L000080 NCGC00016067-02 PDSP1_001618 UNII-1HLS600135 1HLS600135 5-Methyl-urapidil 6-((3-(4-(2-Methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3,5-trimethyl-2,4(1H,3H)-pyrimidinedione C21H31N5O3 HMS2232C19 LP01275 NCGC00016067-05 SMR000326902 ZINC2012436 34661-85-3 6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propylamino}-1,3,5-trimethyl-1H-pyrimidine-2,4-dione CHEMBL420060 J-001436 MLS000860044 NCGC00094511-03 Tox21_501275 5-Methyl-6[[3-[4-(2-methoxyphenyl)-1-piperazinyl]-propyl]-amino]-1,3-dimethyluracil ACM34661853 EU-0101275 Lopac-U-101 NCGC00016067-03 PDSP2_001602 URAPIDIL 5-METHYL- 2,4(1H,3H)-Pyrimidinedione, 6-((3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3,5-trimethyl- 6-({3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}amino)-1,3,5-trimethylpyrimidine-2,4(1h,3h)-dione CCG-205348 HMS3263P12 LS-174487 NCGC00094511-01 SR-01000075287 AC1L1KSW CTK4H2779 J-019692 NCGC00016067-01 NCGC00261960-01 U-101 5-Methyl-6[[3-[4-(o-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil [ Show all ]
Inchi Key	HIHZDNKKIUQQSC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3
PubChem CID	5640
ChEMBL	CHEMBL420060
IUPHAR	489
BindingDB	50033112
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	180.0 nM	PMID7805764	BindingDB

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