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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

NameAc-Peptide YY(25-36)
Molecular formulaC74H118N26O18
IUPAC name(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-1-hydroxy-2-(1-hydroxyethylideneamino)pentylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-4-methylpentylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1,3-dihydroxybutylidene]amino]-1-hydroxypentylidene]amino]-N-[(2S)-5-carbamimidamido-1-hydroxy-1-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)-1-iminopropan-2-yl]iminopentan-2-yl]pentanediimidic acid
Molecular weight1659.92
Hydrogen bond acceptor37
Hydrogen bond donor31
XlogP4.7
SynonymsN/A
Inchi KeyAQWCJJKYINAYIM-QIRMFHLNSA-N
Inchi IDInChI=1S/C74H118N26O18/c1-36(2)28-51(94-66(113)53(31-42-17-21-45(104)22-18-42)96-67(114)54(32-43-34-84-35-88-43)97-61(108)46(89-40(8)102)12-9-25-85-72(78)79)65(112)98-55(33-57(76)106)68(115)95-52(29-37(3)4)69(116)99-58(38(5)6)70(117)100-59(39(7)101)71(118)92-48(14-11-27-87-74(82)83)62(109)91-49(23-24-56(75)105)64(111)90-47(13-10-26-86-73(80)81)63(110)93-50(60(77)107)30-41-15-19-44(103)20-16-41/h15-22,34-39,46-55,58-59,101,103-104H,9-14,23-33H2,1-8H3,(H2,75,105)(H2,76,106)(H2,77,107)(H,84,88)(H,89,102)(H,90,111)(H,91,109)(H,92,118)(H,93,110)(H,94,113)(H,95,115)(H,96,114)(H,97,108)(H,98,112)(H,99,116)(H,100,117)(H4,78,79,85)(H4,80,81,86)(H4,82,83,87)/t39-,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,58+,59+/m1/s1
PubChem CID101155245
ChEMBLCHEMBL392889
IUPHARN/A
BindingDB50197013
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
Ki<1000.0 nMPMID17055726BindingDB,ChEMBL

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