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	Neuropeptide FF receptor 2
Species	Rattus norvegicus (Rat)
Gene	Npffr2
Synonym	F8Famide receptor G protein-coupled receptor 74 G-protein coupled receptor 74 GPR74 Neuropeptide G-protein coupled receptor NPFF2 receptor NPGPR [ Show all ]
Disease	N/A for non-human GPCRs
Length	417
Amino acid sequence	MGKRWDSNSSGSWDHIWSGNDTQHPWYSDINITYMNYYLHQPHVTAVFISSYFLIFFLCMVGNTVVCFVVIRNRYMHTVTNFFIFNLAISDLLVGIFCMPITLLDNIIAGWPFGSSMCKISGLVQGISVAASVFTLVAIAVDRFRCVVYPFKPKLTVKTAFVMIVIIWGLAITIMTPSAIMLHVQEEKYYRVRLSSHNKTSTVYWCREDWPNQEMRRIYTTVLFATIYLAPLSLIVIMYARIGASLFKTSAHSTGKQRLEQWHVSKKKQKVIKMLLTVALLFILSWLPLWTLMMLSDYADLSPNKLRVINIYVYPFAHWLAFCNSSVNPIIYGFFNENFRSGFQDAFQFCQKKVKPQEAYGLRAKRNLDINTSGLLVHEPASQNPSGENLGCRKSADNPTQESLMEETGEATNSTET
UniProt	Q9EQD2
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	CHEMBL3425
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL2181029
Molecular formula	C62H92N18O13
IUPAC name	(2S)-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]butanediamide
Molecular weight	1297.53
Hydrogen bond acceptor	16
Hydrogen bond donor	16
XlogP	-1.1
Synonyms	N/A
Inchi Key	LSLQMTGIGYYJSU-YOGMKKMZSA-N
Inchi ID	InChI=1S/C62H92N18O13/c1-34(2)25-43(56(88)72-41(20-13-23-69-62(65)66)54(86)73-42(51(64)83)27-37-15-8-6-9-16-37)77-60(92)49-21-14-24-80(49)61(93)47(26-35(3)4)78-58(90)46(30-50(63)82)74-52(84)36(5)71-55(87)44(28-38-17-10-7-11-18-38)75-59(91)48(32-81)79-57(89)45(29-39-31-67-33-70-39)76-53(85)40-19-12-22-68-40/h6-11,15-18,31,33-36,40-49,68,81H,12-14,19-30,32H2,1-5H3,(H2,63,82)(H2,64,83)(H,67,70)(H,71,87)(H,72,88)(H,73,86)(H,74,84)(H,75,91)(H,76,85)(H,77,92)(H,78,90)(H,79,89)(H4,65,66,69)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1
PubChem CID	71453882
ChEMBL	CHEMBL2181029
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	78.0 %	PMID22909119	ChEMBL
Inhibition	96.0 %	PMID22909119	ChEMBL
Inhibition	118.0 %	PMID22909119	ChEMBL

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