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GPCR

NameVasoactive intestinal polypeptide receptor 2
SpeciesHomo sapiens (Human)
GeneVIPR2
SynonymVPAC2
VIP-R-2
VIP and PACAP receptor 2
PVR3
Pituitary adenylate cyclase-activating polypeptide type III receptor
[ Show all ]
DiseaseUnspecified
Chronic obstructive pulmonary disease
Hypertension
Length438
Amino acid sequenceMRTLLPPALLTCWLLAPVNSIHPECRFHLEIQEEETKCAELLRSQTEKHKACSGVWDNITCWRPANVGETVTVPCPKVFSNFYSKAGNISKNCTSDGWSETFPDFVDACGYSDPEDESKITFYILVKAIYTLGYSVSLMSLATGSIILCLFRKLHCTRNYIHLNLFLSFILRAISVLVKDDVLYSSSGTLHCPDQPSSWVGCKLSLVFLQYCIMANFFWLLVEGLYLHTLLVAMLPPRRCFLAYLLIGWGLPTVCIGAWTAARLYLEDTGCWDTNDHSVPWWVIRIPILISIIVNFVLFISIIRILLQKLTSPDVGGNDQSQYKRLAKSTLLLIPLFGVHYMVFAVFPISISSKYQILFELCLGSFQGLVVAVLYCFLNSEVQCELKRKWRSRCPTPSASRDYRVCGSSFSRNGSEGALQFHRGSRAQSFLQTETSVI
UniProtP41587
Protein Data BankN/A
GPCR-HGmod modelP41587
3D structure modelThis predicted structure model is from GPCR-EXP P41587.
BioLiPN/A
Therapeutic Target DatabaseT06182
ChEMBLCHEMBL4532
IUPHAR372
DrugBankN/A

Ligand

NameCHEMBL3980522
Molecular formulaC20H25N3O6S
IUPAC name(2S,4S)-2-benzyl-N-ethyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide
Molecular weight435.495
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.1
SynonymsSCHEMBL17038219
Inchi KeyKXFCLSPLVUDJDD-WMZOPIPTSA-N
Inchi IDInChI=1S/C20H25N3O6S/c1-2-21-20(25)16(12-15-6-4-3-5-7-15)13-18(24)14-22-30(28,29)19-10-8-17(9-11-19)23(26)27/h3-11,16,18,22,24H,2,12-14H2,1H3,(H,21,25)/t16-,18-/m0/s1
PubChem CID118334867
ChEMBLCHEMBL3980522
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition-22.2 %NoneChEMBL
Inhibition-13.2 %NoneChEMBL
Inhibition-10.0 %NoneChEMBL
Inhibition-7.6 %NoneChEMBL
Inhibition-0.9 %NoneChEMBL
Inhibition6.0 %NoneChEMBL

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