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

You can:

GPCR

NameProkineticin receptor 2
SpeciesHomo sapiens (Human)
GenePROKR2
SynonymPKR2
PK-R2
I5E
GPRg2
GPR73b
[ Show all ]
DiseaseN/A
Length384
Amino acid sequenceMAAQNGNTSFTPNFNPPQDHASSLSFNFSYGDYDLPMDEDEDMTKTRTFFAAKIVIGIALAGIMLVCGIGNFVFIAALTRYKKLRNLTNLLIANLAISDFLVAIICCPFEMDYYVVRQLSWEHGHVLCASVNYLRTVSLYVSTNALLAIAIDRYLAIVHPLKPRMNYQTASFLIALVWMVSILIAIPSAYFATETVLFIVKSQEKIFCGQIWPVDQQLYYKSYFLFIFGVEFVGPVVTMTLCYARISRELWFKAVPGFQTEQIRKRLRCRRKTVLVLMCILTAYVLCWAPFYGFTIVRDFFPTVFVKEKHYLTAFYVVECIAMSNSMINTVCFVTVKNNTMKYFKKMMLLHWRPSQRGSKSSADLDLRTNGVPTTEEVDCIRLK
UniProtQ8NFJ6
Protein Data BankN/A
GPCR-HGmod modelQ8NFJ6
3D structure modelThis predicted structure model is from GPCR-EXP Q8NFJ6.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5548
IUPHAR336
DrugBankN/A

Ligand

NamePKR-A
Molecular formulaC26H34N2O4
IUPAC name4-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-(2-methylpropyl)morpholine-2-carboxamide
Molecular weight438.568
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.8
Synonyms(+/-)-4-Benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-isobutylmorpholine-2-carboxamide
SCHEMBL387975
D03TIA
N-(3,4-dihydro-2H-1,5-benzodioxepin-8-ylmethyl)-N-(2-methylpropyl)-4-(phenylmethyl)morpholine-2-carboxamide
(-)-4-Benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-isobutylmorpholine-2-carboxamide
[ Show all ]
Inchi KeyKQQGCZSZDMHKOX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N2O4/c1-20(2)16-28(18-22-9-10-23-24(15-22)31-13-6-12-30-23)26(29)25-19-27(11-14-32-25)17-21-7-4-3-5-8-21/h3-5,7-10,15,20,25H,6,11-14,16-19H2,1-2H3
PubChem CID16122905
ChEMBLN/A
IUPHAR6066
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC5043.5 - 52.7 nMPMID22431614IUPHAR

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