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	Melatonin receptor type 1C
Species	Xenopus laevis (African clawed frog)
Gene	mtnr1c
Synonym	Mel-1C-R Mel1c (alpha) receptor Mel1c receptor
Disease	N/A for non-human GPCRs
Length	420
Amino acid sequence	MMEVNSTCLDCRTPGTIRTEQDAQDSASQGLTSALAVVLIFTIVVDVLGNILVILSVLRNKKLQNAGNLFVVSLSIADLVVAVYPYPVILIAIFQNGWTLGNIHCQISGFLMGLSVIGSVFNITAIAINRYCYICHSLRYDKLYNQRSTWCYLGLTWILTIIAIVPNFFVGSLQYDPRIFSCTFAQTVSSSYTITVVVVHFIVPLSVVTFCYLRIWVLVIQVKHRVRQDFKQKLTQTDLRNFLTMFVVFVLFAVCWAPLNFIGLAVAINPFHVAPKIPEWLFVLSYFMAYFNSCLNAVIYGVLNQNFRKEYKRILMSLLTPRLLFLDTSRGGTEGLKSKPSPAVTNNNQADMLGEARSLWLSRRNGAKMVIIIRPRKAQIAIIHQIFWPQSSWATCRQDTKITGEEDGCRELCKDGISQR
UniProt	P49219
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	CHEMBL5495
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	DH 97
Molecular formula	C22H26N2O
IUPAC name	N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide
Molecular weight	334.463
Hydrogen bond acceptor	1
Hydrogen bond donor	2
XlogP	4.9
Synonyms	SR-01000597373 BRD-K06014311-001-01-2 DTXSID90392749 N-pentanoyl 2-benzyltryptamine ZINC2581407 AC1MRF3Z CHEMBL1327247 HMS3267D11 N-[2-(2-Benzyl-1H-indole-3-yl)ethyl]pentanamide RT-012298 BDBM85384 MolPort-003-983-554 SR-01000597373-1 343263-95-6 CHEBI:92107 FT-0763744 N-Pentanoyl-2-benzyltryptamine NCGC00025049-01 ACM343263956 CTK8E7620 J-019556 SCHEMBL1626901 220339-00-4 BN0182 DH97 N-(2-(2-Benzyl-1H-indol-3-yl)ethyl)pentanamide Tocris-1218 GTPL3366 N-[2-(2-benzyl-1H-indol-3-yl)ethyl]pentanamide NCGC00025049-02 AKOS024456472 D0XX9Y Luzindole,N-pentanoyl [ Show all ]
Inchi Key	HDOIPCLEKCEANF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26N2O/c1-2-3-13-22(25)23-15-14-19-18-11-7-8-12-20(18)24-21(19)16-17-9-5-4-6-10-17/h4-12,24H,2-3,13-16H2,1H3,(H,23,25)
PubChem CID	3467177
ChEMBL	CHEMBL1327247
IUPHAR	3366
BindingDB	85384
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	2137.96 nM	PMID9840420	BindingDB

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