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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Rattus norvegicus (Rat)
Gene	Htr1a
Synonym	5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled 5-HT1A ADRB2RL1 ADRBRL1 5-HT-1A Gpcr18 Serotonin receptor 1A [ Show all ]
Disease	N/A for non-human GPCRs
Length	422
Amino acid sequence	MDVFSFGQGNNTTASQEPFGTGGNVTSISDVTFSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVRKVEKKGAGTSLGTSSAPPPKKSLNGQPGSGDWRRCAENRAVGTPCTNGAVRQGDDEATLEVIEVHRVGNSKEHLPLPSESGSNSYAPACLERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPALLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRR
UniProt	P19327
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	CHEMBL273
IUPHAR	1
DrugBank	N/A

Ligand

Name	UNII-C918IS60W6
Molecular formula	C11H16BrNO2
IUPAC name	(2R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine
Molecular weight	274.158
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.6
Synonyms	43061-15-0 CHEMBL69700 (-)-2,5-Dimethoxy-4-bromoamphetamine Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl-, (alphaR)- R-(-)-2,5-Dimethoxy-4-bromoamphetamine (R)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine C918IS60W6 ZINC92 DTXSID70109993 (-)-Dob Benzeneethanamine, 4-bromo-2,5-dimethoxy-alpha-methyl-, (R)- SCHEMBL1048339 (R)-2-(4-Bromo-2,5-dimethoxy-phenyl)-1-methyl-ethylamine BDBM50064708 PDSP2_001350 (?)-DOB Brolamfetamine, (R)- [ Show all ]
Inchi Key	FXMWUTGUCAKGQL-SSDOTTSWSA-N
Inchi ID	InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3/t7-/m1/s1
PubChem CID	12626561
ChEMBL	CHEMBL69700
IUPHAR	N/A
BindingDB	50064708
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	6100.0 nM	PMID9622555	BindingDB,ChEMBL

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