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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

NameSCHEMBL565136
Molecular formulaC26H33ClN2O3
IUPAC name1-benzyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide
Molecular weight457.011
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM121129
US8722896, (+/-)-1-Benzyl-N-(9-chloro-3,4- dihydro-2H-1,5-benzodioxepin- 7-ylmethyl)-N- isobutylpyrrolidine-3- carboxamide
CHEMBL3646334
Inchi KeyIOXBZEKQVLIIQH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33ClN2O3/c1-19(2)15-29(17-21-13-23(27)25-24(14-21)31-11-6-12-32-25)26(30)22-9-10-28(18-22)16-20-7-4-3-5-8-20/h3-5,7-8,13-14,19,22H,6,9-12,15-18H2,1-2H3
PubChem CID58080413
ChEMBLN/A
IUPHARN/A
BindingDB121129
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50102.0 nMPMID24753254BindingDB

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