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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	Orexin receptor type 1
Species	Mus musculus (Mouse)
Gene	Hcrtr1
Synonym	hypocretin (orexin) receptor 1 hypocretin receptor 1 Hypocretin receptor type 1 Hctr1 orexin receptor type 1 Ox-1-R OX1 receptor Ox1-R Ox1R [ Show all ]
Disease	N/A for non-human GPCRs
Length	416
Amino acid sequence	MEPSATPGAQPGVPTSSGEPFHLPPDYEDEFLRYLWRDYLYPKQYEWVLIAAYVAVFLIALVGNTLVCLAVWRNHHMRTVTNYFIVNLSLADVLVTAICLPASLLVDITESWLFGQALCKVIPYLQAVSVSVAVLTLSFIALDRWYAICHPLLFKSTARRARGSILGIWAVSLAVMVPQAAVMECSSVLPELANRTRLFSVCDEHWADELYPKIYHSCFFIVTYLAPLGLMAMAYFQIFRKLWGRQIPGTTSALVRNWKRPSEQLEAQHQGLCTEPQPRARAFLAEVKQMRARRKTAKMLMVVLLVFALCYLPISVLNVLKRVFGMFRQASDREAVYACFTFSHWLVYANSAANPIIYNFLSGKFREQFKAAFSCCLPGLGPGSSARHKSLSLQSRCSVSKVSEHVVLTTVTTVLS
UniProt	P58307
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	CHEMBL2434819
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MK-3697
Molecular formula	C23H21N5O3S
IUPAC name	N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide
Molecular weight	447.513
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.5
Synonyms	compound 24 [PMID: 25248679] MK 3697;MK3697 N-[(5,6-dimethoxypyridin-2-yl)methyl]-2-(5-methylpyridin-3-yl)-5-(1,3-thiazol-2-yl)pyridine-4-carboxamide VSOUDUXMPUHJEU-UHFFFAOYSA-N AS-17000 FT-0700429 MolPort-028-720-428 NCGC00387851-04 1224846-01-8 J-690073 N-[(5,6-Dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(2-thiazolyl)-[2,3'-bipyridine]-4-carboxamide UNII-M8238285OA AKOS026750261 CS-3376 N-[(5,6-Dimethoxypyridin-2-yl)methyl]-5'-methyl-5-(1,3-thiazol-2-yl)-2,3'-bipyridine-4-carboxamide ZINC96177816 (2,3'-Bipyridine)-4-carboxamide, N-((5,6-dimethoxy-2-pyridinyl)methyl)-5'-methyl-5-(2-thiazolyl)- BCP08557 GTPL9307 N-((5,6-Dimethoxy-2-pyridinyl)methyl)-5'-methyl-5-(2-thiazolyl)(2,3'-bipyridine)-4-carboxamide QC-11637 3859AH CHEMBL3338865 M8238285OA N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(2-thiazolyl)[2,3'-bipyridine]-4-carboxamide US8592457, 7-5 AOB87171 EX-A946 MK3697 N-[5-(5-Cyano-2-thienyl)-2-methylphenyl]-4-methylbenzenesulfonamide BDBM106971 HY-12301 N-((5,6-dimethoxypyridin-2-yl)methyl)-5'-methyl-5-(thiazol-2-yl)-[2,3'-bipyridine]-4-carboxamide SCHEMBL2250597 [ Show all ]
Inchi Key	VSOUDUXMPUHJEU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21N5O3S/c1-14-8-15(11-24-10-14)19-9-17(18(13-26-19)23-25-6-7-32-23)21(29)27-12-16-4-5-20(30-2)22(28-16)31-3/h4-11,13H,12H2,1-3H3,(H,27,29)
PubChem CID	46190695
ChEMBL	CHEMBL3338865
IUPHAR	9307
BindingDB	106971
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
INH	27200.0 nM	PMID25248679	ChEMBL

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