Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

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.
Go back to previous page.

GPCR

Name	Melanin-concentrating hormone receptor 1
Species	Rattus norvegicus (Rat)
Gene	Mchr1
Synonym	SLC-1 MCHR-1 MCHR MCH1R MCH1 receptor MCH-R1 MCH-1R MCH receptor 1 GPR24 G-protein coupled receptor 24 G protein-coupled receptor 24 somatostatin receptor-like protein [ Show all ]
Disease	N/A for non-human GPCRs
Length	353
Amino acid sequence	MDLQTSLLSTGPNASNISDGQDNLTLPGSPPRTGSVSYINIIMPSVFGTICLLGIVGNSTVIFAVVKKSKLHWCSNVPDIFIINLSVVDLLFLLGMPFMIHQLMGNGVWHFGETMCTLITAMDANSQFTSTYILTAMTIDRYLATVHPISSTKFRKPSMATLVICLLWALSFISITPVWLYARLIPFPGGAVGCGIRLPNPDTDLYWFTLYQFFLAFALPFVVITAAYVKILQRMTSSVAPASQRSIRLRTKRVTRTAIAICLVFFVCWAPYYVLQLTQLSISRPTLTFVYLYNAAISLGYANSCLNPFVYIVLCETFRKRLVLSVKPAAQGQLRTVSNAQTADEERTESKGT
UniProt	P97639
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	CHEMBL1075228
IUPHAR	280
DrugBank	N/A

Ligand

Name	CHEMBL384362
Molecular formula	C24H22F3N3O2
IUPAC name	N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
Molecular weight	441.454
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.5
Synonyms	BDBM50193684 N-(2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
Inchi Key	DCTXDZRQZOKNLS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22F3N3O2/c25-24(26,27)17-5-1-15(2-6-17)3-10-23(31)28-18-7-8-21-16(11-18)4-9-22(29-21)30-13-20-12-19(30)14-32-20/h1-2,4-9,11,19-20H,3,10,12-14H2,(H,28,31)
PubChem CID	44417973
ChEMBL	CHEMBL384362
IUPHAR	N/A
BindingDB	50193684
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	70.0 nM	PMID16919456	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417