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GPCR

NameNeuropeptide Y receptor type 1
SpeciesHomo sapiens (Human)
GeneNPY1R
Synonymneuropeptide Y receptor type 1
NPY-Y1 receptor
NPY1-R
FC5
Y1 receptor
[ Show all ]
DiseaseHypertension; Obesity; Heart disease
Obesity
Eating disorders reduction in food intake obesity anxiety
Eating disorders reduction in food intake
Eating disorder
[ Show all ]
Length384
Amino acid sequenceMNSTLFSQVENHSVHSNFSEKNAQLLAFENDDCHLPLAMIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTLMDHWVFGEAMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYVGIAVIWVLAVASSLPFLIYQVMTDEPFQNVTLDAYKDKYVCFDQFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKMRDNKYRSSETKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKINNNDDNEKI
UniProtP25929
Protein Data Bank5zbh
GPCR-HGmod modelP25929
3D structure modelThis structure is from PDB ID 5zbh.
BioLiPBL0411971
Therapeutic Target DatabaseT89213
ChEMBLCHEMBL4777
IUPHAR305
DrugBankN/A

Ligand

NameBDBM50442547
Molecular formulaC104H138N24O15
IUPAC nameN'-[2-[2-aminoethyl-[2-[[4-[6-[[N-[(4R)-4-[(2,2-diphenylacetyl)amino]-5-[(4-hydroxyphenyl)methylamino]-5-oxopentyl]carbamimidoyl]carbamoylamino]hexylamino]-4-oxobutanoyl]amino]ethyl]amino]ethyl]-N-[6-[[N-[(4S)-5-[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethylamino]-5-oxo-4-[[2-[1-[2-oxo-2-[4-(6-oxo-5,11-dihydrobenzo[c][1]benzazepin-11-yl)piperazin-1-yl]ethyl]cyclopentyl]acetyl]amino]pentyl]carbamimidoyl]carbamoylamino]hexyl]butanediamide
Molecular weight1964.4
Hydrogen bond acceptor20
Hydrogen bond donor19
XlogP6.9
SynonymsN/A
Inchi KeyAAMNZEOCWRFJIP-SMDWPYIJSA-N
Inchi IDInChI=1S/C104H138N24O15/c105-53-63-123(65-61-111-89(133)50-48-87(131)109-55-24-2-4-26-57-116-101(141)122-99(107)114-59-28-42-85(96(138)117-73-74-43-45-79(129)46-44-74)120-97(139)92(75-29-9-5-10-30-75)76-31-11-6-12-32-76)64-60-110-88(132)49-47-86(130)108-54-23-1-3-25-56-115-100(140)121-98(106)113-58-27-41-84(95(137)112-62-66-126-102(142)127(77-33-13-7-14-34-77)128(103(126)143)78-35-15-8-16-36-78)118-90(134)71-104(51-21-22-52-104)72-91(135)124-67-69-125(70-68-124)93-80-37-17-18-38-81(80)94(136)119-83-40-20-19-39-82(83)93/h5-20,29-40,43-46,84-85,92-93,129H,1-4,21-28,41-42,47-73,105H2,(H,108,130)(H,109,131)(H,110,132)(H,111,133)(H,112,137)(H,117,138)(H,118,134)(H,119,136)(H,120,139)(H4,106,113,115,121,140)(H4,107,114,116,122,141)/t84-,85+,93?/m0/s1
PubChem CID91898584
ChEMBLN/A
IUPHARN/A
BindingDB50442547
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki230.0 nMPMID24074877BindingDB
Ki260.0 nMPMID24074877BindingDB

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