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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	Sphingosine 1-phosphate receptor 1
Species	Homo sapiens (Human)
Gene	S1PR1
Synonym	Sphingosine 1-phosphate receptor Edg-1 S1P1 receptor S1P1 S1P receptor Edg-1 S1P receptor 1 CD363 EDG1 (Edg1) endothelial differentiation G protein-coupled receptor 1 Endothelial differentiation G-protein coupled receptor 1 [ Show all ]
Disease	Immune disorder Macular degeneration Hepatocellular carcinoma; Multiple scierosis Multiple scierosis Primary progressive multiple sclerosis Cutaneous lupus erythematosus Psoriasis Cardiovascular disorder Cancer Autoimmune diabetes Advanced non-small cell lung cancer Acne vulgaris Rheumatoid arthritis Inflammatory disease [ Show all ]
Length	382
Amino acid sequence	MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
UniProt	P21453
Protein Data Bank	3v2w
GPCR-HGmod model	P21453
3D structure model	This structure is from PDB ID 3v2w.
BioLiP	BL0214678
Therapeutic Target Database	T13852
ChEMBL	CHEMBL4333
IUPHAR	275
DrugBank	N/A

Ligand

Name	N-Benzylquinazolin-4-amine
Molecular formula	C15H13N3
IUPAC name	N-benzylquinazolin-4-amine
Molecular weight	235.29
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.9
Synonyms	4-Benzylaminoquinazoline BDBM3256 ChemDiv2_003678 IDI1_002393 SCHEMBL7612718 AC1LDDI3 benzylquinazolin-4-ylamine EiM17-05191 MolPort-001-960-903 SR-01000467951-1 4-(Benzylamino)quinazoline BAS 01292565 HMS2233F15 ZINC109589 4-[(phenylmethyl)amino]quinazoline benzyl(quinazolin-4-yl)amine;hydrochloride cid_616573 MCULE-8562214870 SMR000526288 100818-54-0 AKOS000536814 BRD-K43796186-001-01-1 FVWANTDQRFSCAL-UHFFFAOYSA-N N-Benzyl-4-quinazolinamine # ST50008517 4-(Benzylamino)quinazoline deriv. 7 BCB03_000911 CHEMBL102726 HMS3373H15 Oprea1_089836 AB00481928-16 Benzyl-quinazolin-4-yl-amine D01WDI MLS000701321 SR-01000467951 AR-434/13153110 CHEBI:92768 HMS1379H04 N-benzyl-N-(4-quinazolinyl)amine Z57161635 [ Show all ]
Inchi Key	FVWANTDQRFSCAL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
PubChem CID	616573
ChEMBL	CHEMBL102726
IUPHAR	N/A
BindingDB	3256
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	4271.0 nM	N/A	BindingDB
EC50	4814.0 nM	N/A	BindingDB
EC50	30100.0 nM	N/A	BindingDB

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