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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 2
Species	Rattus norvegicus (Rat)
Gene	Hcrtr2
Synonym	hypocretin receptor 2 Hypocretin receptor type 2 hypocretin (orexin) receptor 2 orexin receptor type 2 Ox-2-R OX2 receptor Ox2-R OX2R [ Show all ]
Disease	N/A for non-human GPCRs
Length	460
Amino acid sequence	MSSTKLEDSLPRRNWSSASELNETQEPFLNPTDYDDEEFLRYLWREYLHPKEYEWVLIAGYIIVFVVALIGNVLVCVAVWKNHHMRTVTNYFIVNLSLADVLVTITCLPATLVVDITETWFFGQSLCKVIPYLQTVSVSVSVLTLSCIALDRWYAICHPLMFKSTAKRARNSIVVIWIVSCIIMIPQAIVMERSSMLPGLANKTTLFTVCDERWGGEVYPKMYHICFFLVTYMAPLCLMVLAYLQIFRKLWCRQIPGTSSVVQRKWKQPQPVSQPRGSGQQSKARISAVAAEIKQIRARRKTARMLMVVLLVFAICYLPISILNVLKRVFGMFTHTEDRETVYAWFTFSHWLVYANSAANPIIYNFLSGKFREEFKAAFSCCLGVHRRQGDRLARGRTSTESRKSLTTQISNFDNVSKLSEHVALTSISTLPAANGAGPLQNWYLQQGVPSSLLSTWLEV
UniProt	P56719
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	CHEMBL1275216
IUPHAR	322
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	N-[(5,6-Dimethoxypyridin-2-yl)methyl]-5'-methyl-5-(1,3-thiazol-2-yl)-2,3'-bipyridine-4-carboxamide ZINC96177816 AKOS026750261 CS-3376 N-((5,6-Dimethoxy-2-pyridinyl)methyl)-5'-methyl-5-(2-thiazolyl)(2,3'-bipyridine)-4-carboxamide QC-11637 (2,3'-Bipyridine)-4-carboxamide, N-((5,6-dimethoxy-2-pyridinyl)methyl)-5'-methyl-5-(2-thiazolyl)- BCP08557 GTPL9307 M8238285OA N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(2-thiazolyl)[2,3'-bipyridine]-4-carboxamide US8592457, 7-5 3859AH CHEMBL3338865 MK3697 N-[5-(5-Cyano-2-thienyl)-2-methylphenyl]-4-methylbenzenesulfonamide AOB87171 EX-A946 HY-12301 N-((5,6-dimethoxypyridin-2-yl)methyl)-5'-methyl-5-(thiazol-2-yl)-[2,3'-bipyridine]-4-carboxamide SCHEMBL2250597 BDBM106971 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 compound 24 [PMID: 25248679] MolPort-028-720-428 NCGC00387851-04 AS-17000 FT-0700429 J-690073 N-[(5,6-Dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(2-thiazolyl)-[2,3'-bipyridine]-4-carboxamide UNII-M8238285OA 1224846-01-8 [ 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	31.0 nM	PMID25248679	ChEMBL

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