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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	Beta-1 adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adrb1
Synonym	adrenergic receptor beta1-adrenoceptor Beta-1 adrenoreceptor Beta-1 adrenoceptor beta-1 adrenergic receptor ADRB1R beta 1-AR B1AR Adrenergic receptor beta 1 Adrb-1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MGAGALALGASEPCNLSSAAPLPDGAATAARLLVLASPPASLLPPASEGSAPLSQQWTAGMGLLLALIVLLIVVGNVLVIVAIAKTPRLQTLTNLFIMSLASADLVMGLLVVPFGATIVVWGRWEYGSFFCELWTSVDVLCVTASIETLCVIALDRYLAITLPFRYQSLLTRARARALVCTVWAISALVSFLPILMHWWRAESDEARRCYNDPKCCDFVTNRAYAIASSVVSFYVPLCIMAFVYLRVFREAQKQVKKIDSCERRFLTGPPRPPSPAPSPSPGPPRPADSLANGRSSKRRPSRLVALREQKALKTLGIIMGVFTLCWLPFFLANVVKAFHRDLVPDRLFVFFNWLGYANSAFNPIIYCRSPDFRKAFQRLLCCARRAACRRRAAHGDRPRASGCLARAGPPPSPGAPSDDDDDDAGATPPARLLEPWAGCNGGTTTVDSDSSLDEPGRQGFSSESKV
UniProt	P18090
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	CHEMBL3252
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	DL-Homocysteine
Molecular formula	C4H9NO2S
IUPAC name	2-amino-4-sulfanylbutanoic acid
Molecular weight	135.181
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	-3.4
Synonyms	CHEMBL310604 DL-Homocysteine (free base) homocysteine L-2-amino-4-mercapto-Butyric acid NSC118376 ST24039929 2-amino-4-mercapto-Butanoate 2-amino-4-sulfanylbutanoic acid AC1L1A05 BRN 5493225 D,L-Homocysteine EINECS 207-222-9 Homocysteine, L- MolPort-001-792-076 NSC_778 184291-EP2275404A1 TR-037238 2-amino-4-mercapto-DL-Butyric acid 454H295 AKOS009156824 Butyric acid, 2-amino-4-mercapto-, DL- DL-2-Amino-4-mercaptobutyric acid Hcy KB-50322 NSC-206252 (S)-2-amino-4-mercapto-Butanoate SC-50870 184291-EP2280003A2 2-amino-4-sulfanyl-butanoic acid BDBM86202 CAS_778 CS-W021561 DL-Homocysteine, >=95% (titration) Homocysteine # LS-75890 NSC206252 184291-EP2269992A1 ST51016083 2-amino-4-mercapto-Butanoic acid 454-28-4 AC1Q50C4 Butanoic acid, 2-amino-4-mercapto- DB-020435 FFFHZYDWPBMWHY-UHFFFAOYSA-N HY-W040821 NSC 206252 PubChem19432 184291-EP2277865A1 USAF B-12 2-Amino-4-mercaptobutanoic acid 4CH-016196 AN-45000 Butyric acid, 2-amino-4-mercapto-, DL- (9CI) CHEBI:17230 homo-cys KSC491O8H NSC-43117 (S)-2-amino-4-mercapto-Butanoic acid SCHEMBL35836 1C51025E-77A8-4D48-8DC1-692A15D7F9D4 2-amino-4-sulfanylbutanoate AB0011058 bmse000430 CTK3J1783 DL-Homocysteine, analytical standard Homocysteine, dl- MCULE-8057550187 NSC43117 184291-EP2275102A1 TR-017265 2-amino-4-mercapto-DL-Butyrate 454-29-5 ACMC-1B2D6 Butyric acid, 2-amino-4-mercapto- DL-2-amino-4-mercapto-Butyric acid FT-0625470 I04-0139 NSC-118376 (+-)-Homocysteine RTR-017265 184291-EP2277867A2 W-106139 2-Amino-4-mercaptobutyric acid 6681-97-6 ANW-30276 C05330 [ Show all ]
Inchi Key	FFFHZYDWPBMWHY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
PubChem CID	778
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86202
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	PMID12649361	BindingDB

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