Zhang Lab

University of Michigan

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 ●DMFold ●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	Lutropin-choriogonadotropic hormone receptor
Species	Homo sapiens (Human)
Gene	LHCGR
Synonym	lutropin-choriogonadotropic hormone receptor Luteinizing hormone receptor LSH-R LHR LH/CG-R LH-R LH receptor LGR2 LCGR Choriogonadotropin receptor [ Show all ]
Disease	Heart disease Breast cancer Cancer Myelodysplastic syndrome Female infertility Fertility Leukemia Infertility [ Show all ]
Length	699
Amino acid sequence	MKQRFSALQLLKLLLLLQPPLPRALREALCPEPCNCVPDGALRCPGPTAGLTRLSLAYLPVKVIPSQAFRGLNEVIKIEISQIDSLERIEANAFDNLLNLSEILIQNTKNLRYIEPGAFINLPRLKYLSICNTGIRKFPDVTKVFSSESNFILEICDNLHITTIPGNAFQGMNNESVTLKLYGNGFEEVQSHAFNGTTLTSLELKENVHLEKMHNGAFRGATGPKTLDISSTKLQALPSYGLESIQRLIATSSYSLKKLPSRETFVNLLEATLTYPSHCCAFRNLPTKEQNFSHSISENFSKQCESTVRKVNNKTLYSSMLAESELSGWDYEYGFCLPKTPRCAPEPDAFNPCEDIMGYDFLRVLIWLINILAIMGNMTVLFVLLTSRYKLTVPRFLMCNLSFADFCMGLYLLLIASVDSQTKGQYYNHAIDWQTGSGCSTAGFFTVFASELSVYTLTVITLERWHTITYAIHLDQKLRLRHAILIMLGGWLFSSLIAMLPLVGVSNYMKVSICFPMDVETTLSQVYILTILILNVVAFFIICACYIKIYFAVRNPELMATNKDTKIAKKMAILIFTDFTCMAPISFFAISAAFKVPLITVTNSKVLLVLFYPINSCANPFLYAIFTKTFQRDFFLLLSKFGCCKRRAELYRRKDFSAYTSNCKNGFTGSNKPSQSTLKLSTLHCQGTALLDKTRYTEC
UniProt	P22888
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T79473
ChEMBL	CHEMBL1854
IUPHAR	N/A
DrugBank	BE0000134

Ligand

Name	SMR000176548
Molecular formula	C22H15N3O3
IUPAC name	2-[1-[(E)-1-(furan-2-yl)-3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile
Molecular weight	369.38
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.8
Synonyms	AC1NXYTM MLS000555673 [1-[(E)-2-(2-furyl)-1-(4-methoxybenzoyl)vinyl]pyridin-2(1H)-ylidene]malononitrile 2-[1-[(E)-1-(furan-2-yl)-3-(4-methoxyphenyl)-3-oxidanylidene-prop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile BDBM54800 SCHEMBL8080389 2-{1-[2-Furan-2-yl-1-(4-methoxy-benzoyl)-vinyl]-1H-pyridin-2-ylidene}-malononitrile cid_5761997 SR-01000420160-1 AKOS000525927 MolPort-001-956-692 2-[1-[(E)-1-(furan-2-yl)-3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile HMS2388A19 ZINC4892175 2-[1-[(E)-1-(2-furanyl)-3-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-pyridinylidene]propanedinitrile BAS 01150586 REGID_for_CID_5761997 2-[1-[(E)-2-(2-furyl)-1-p-anisoyl-vinyl]-2-pyridylidene]malononitrile CHEMBL1426792 SR-01000420160 [ Show all ]
Inchi Key	JFKFQMKJUPIWAU-FYJGNVAPSA-N
Inchi ID	InChI=1S/C22H15N3O3/c1-27-18-9-7-16(8-10-18)22(26)21(13-19-5-4-12-28-19)25-11-3-2-6-20(25)17(14-23)15-24/h2-13H,1H3/b21-13+
PubChem CID	5761997
ChEMBL	CHEMBL1426792
IUPHAR	N/A
BindingDB	54800
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	75686.3 nM	PubChem BioAssay data set	ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218