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	Mus musculus (Mouse)
Gene	Mchr1
Synonym	SLC-1 {ECO:0000303\|PubMed:11159839} 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	MDLQASLLSTGPNASNISDGQDNFTLAGPPPRTRSVSYINIIMPSVFGTICLLGIVGNSTVIFAVVKKSKLHWCSNVPDIFIINLSVVDLLFLLGMPFMIHQLMGNGVWHFGETMCTLITAMDANSQFTSTYILTAMAIDRYLATVHPISSTKFRKPSMATLVICLLWALSFISITPVWLYARLIPFPGGAVGCGIRLPNPDTDLYWFTLYQFFLAFALPFVVITAAYVKILQRMTSSVAPASQRSIRLRTKRVTRTAIAICLVFFVCWAPYYVLQLTQLSISRPTLTFVYLYNAAISLGYANSCLNPFVYIVLCETFRKRLVLSVKPAAQGQLRTVSNAQTADEERTESKGT
UniProt	Q8JZL2
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	CHEMBL4730
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL211820
Molecular formula	C30H26Cl2N4
IUPAC name	3-[4-[[1-(cyclopropylmethyl)piperidin-4-ylidene]-(5,6-dichloro-1H-benzimidazol-2-yl)methyl]phenyl]benzonitrile
Molecular weight	513.466
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	7.4
Synonyms	4''-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5,6-dichloro-1H-benzoimidazol-2-yl)-methyl]-biphenyl-3-carbonitrile BDBM50186830 SCHEMBL14532577 4'-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(5,6-dichloro-1h-benzoimidazol-2-yl)-methyl]-biphenyl-3 carbonitrile
Inchi Key	MKNULTWZJGMRFO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H26Cl2N4/c31-25-15-27-28(16-26(25)32)35-30(34-27)29(23-10-12-36(13-11-23)18-19-4-5-19)22-8-6-21(7-9-22)24-3-1-2-20(14-24)17-33/h1-3,6-9,14-16,19H,4-5,10-13,18H2,(H,34,35)
PubChem CID	11497179
ChEMBL	CHEMBL211820
IUPHAR	N/A
BindingDB	50186830
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	54.0 %	PMID16690315	ChEMBL
Inhibition	68.0 %	PMID16690315	ChEMBL

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