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GPCR

NamePituitary adenylate cyclase-activating polypeptide type I receptor
SpeciesHomo sapiens (Human)
GeneADCYAP1R1
SynonymPACAPR1
pituitary adenylate cyclase activating polypeptide 1 receptor (1)
PACAP1-R
PACAP-R1
PACAP-R-1
[ Show all ]
DiseaseN/A
Length468
Amino acid sequenceMAGVVHVSLAALLLLPMAPAMHSDCIFKKEQAMCLEKIQRANELMGFNDSSPGCPGMWDNITCWKPAHVGEMVLVSCPELFRIFNPDQVWETETIGESDFGDSNSLDLSDMGVVSRNCTEDGWSEPFPHYFDACGFDEYESETGDQDYYYLSVKALYTVGYSTSLVTLTTAMVILCRFRKLHCTRNFIHMNLFVSFMLRAISVFIKDWILYAEQDSNHCFISTVECKAVMVFFHYCVVSNYFWLFIEGLYLFTLLVETFFPERRYFYWYTIIGWGTPTVCVTVWATLRLYFDDTGCWDMNDSTALWWVIKGPVVGSIMVNFVLFIGIIVILVQKLQSPDMGGNESSIYLRLARSTLLLIPLFGIHYTVFAFSPENVSKRERLVFELGLGSFQGFVVAVLYCFLNGEVQAEIKRKWRSWKVNRYFAVDFKHRHPSLASSGVNGGTQLSILSKSSSQIRMSGLPADNLAT
UniProtP41586
Protein Data Bank3n94
GPCR-HGmod modelP41586
3D structure modelThis structure is from PDB ID 3n94.
BioLiPBL0183307
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5399
IUPHAR370
DrugBankN/A

Ligand

NameCHEMBL444801
Molecular formulaC27H30N2O6
IUPAC nameN-[(E)-[3,5-dimethoxy-4-[(4-propan-2-ylphenyl)methoxy]phenyl]methylideneamino]-4-hydroxy-3-methoxybenzamide
Molecular weight478.545
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP5.0
SynonymsN/A
Inchi KeyNSNJCBUWGKCETD-RWPZCVJISA-N
Inchi IDInChI=1S/C27H30N2O6/c1-17(2)20-8-6-18(7-9-20)16-35-26-24(33-4)12-19(13-25(26)34-5)15-28-29-27(31)21-10-11-22(30)23(14-21)32-3/h6-15,17,30H,16H2,1-5H3,(H,29,31)/b28-15+
PubChem CID44453863
ChEMBLCHEMBL444801
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
Activity44.0 %PMID18272364ChEMBL

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