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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

NameCHEMBL3578017
Molecular formulaC139H206N38O28
IUPAC name(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-acetamido-3-[[4-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide
Molecular weight2857.42
Hydrogen bond acceptor33
Hydrogen bond donor40
XlogP2.1
SynonymsBDBM50089439
Inchi KeyNAITVKNZDVDBSV-DFJVIGTOSA-N
Inchi IDInChI=1S/C139H206N38O28/c1-73(2)56-98(117(143)186)164-125(194)101(58-75(5)6)167-131(200)108(66-86-69-155-92-35-21-20-34-91(86)92)174-129(198)105(63-81-28-16-15-17-29-81)171-130(199)107(65-85-32-24-31-84-30-18-19-33-90(84)85)173-119(188)93(36-22-23-52-140)159-115(185)51-50-114(184)156-71-111(158-80(14)179)135(204)170-100(57-74(3)4)124(193)161-95(38-26-54-153-138(147)148)122(191)175-109(67-87-70-151-72-157-87)132(201)172-106(64-83-42-46-89(181)47-43-83)128(197)166-103(60-77(9)10)127(196)176-110(68-113(142)183)133(202)168-102(59-76(7)8)126(195)169-104(61-78(11)12)134(203)177-116(79(13)178)136(205)163-96(39-27-55-154-139(149)150)120(189)162-97(48-49-112(141)182)123(192)160-94(37-25-53-152-137(145)146)121(190)165-99(118(144)187)62-82-40-44-88(180)45-41-82/h15-21,24,28-35,40-47,69-70,72-79,93-111,116,155,178,180-181H,22-23,25-27,36-39,48-68,71,140H2,1-14H3,(H2,141,182)(H2,142,183)(H2,143,186)(H2,144,187)(H,151,157)(H,156,184)(H,158,179)(H,159,185)(H,160,192)(H,161,193)(H,162,189)(H,163,205)(H,164,194)(H,165,190)(H,166,197)(H,167,200)(H,168,202)(H,169,195)(H,170,204)(H,171,199)(H,172,201)(H,173,188)(H,174,198)(H,175,191)(H,176,196)(H,177,203)(H4,145,146,152)(H4,147,148,153)(H4,149,150,154)/t79-,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107-,108-,109+,110+,111?,116+/m1/s1
PubChem CID122178188
ChEMBLCHEMBL3578017
IUPHARN/A
BindingDB50089439
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.

Experimental Data

ParameterValueReferenceDatabase source
Efficacy>25.0 %PMID25905598ChEMBL

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