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GPCR

NameNeuropeptide Y receptor type 2
SpeciesHomo sapiens (Human)
GeneNPY2R
SynonymNPY2-R
NPY-Y2 receptor
neuropeptide Y receptor type 2
Y2 receptor
DiseaseDiabetes
Metabolic disorders
Obesity
Length381
Amino acid sequenceMGPIGAEADENQTVEEMKVEQYGPQTTPRGELVPDPEPELIDSTKLIEVQVVLILAYCSIILLGVIGNSLVIHVVIKFKSMRTVTNFFIANLAVADLLVNTLCLPFTLTYTLMGEWKMGPVLCHLVPYAQGLAVQVSTITLTVIALDRHRCIVYHLESKISKRISFLIIGLAWGISALLASPLAIFREYSLIEIIPDFEIVACTEKWPGEEKSIYGTVYSLSSLLILYVLPLGIISFSYTRIWSKLKNHVSPGAANDHYHQRRQKTTKMLVCVVVVFAVSWLPLHAFQLAVDIDSQVLDLKEYKLIFTVFHIIAMCSTFANPLLYGWMNSNYRKAFLSAFRCEQRLDAIHSEVSVTFKAKKNLEVRKNSGPNDSFTEATNV
UniProtP49146
Protein Data BankN/A
GPCR-HGmod modelP49146
3D structure modelThis predicted structure model is from GPCR-EXP P49146.
BioLiPN/A
Therapeutic Target DatabaseT10670
ChEMBLCHEMBL4018
IUPHAR306
DrugBankBE0002419

Ligand

NameCHEMBL3578011
Molecular formulaC87H143N29O20
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-[[(2S)-2-acetamido-6-aminohexanoyl]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 weight1915.28
Hydrogen bond acceptor25
Hydrogen bond donor31
XlogP-2.9
SynonymsBDBM50089433
Inchi KeyAFKDNXVZFDQAAI-YFNZKPSRSA-N
Inchi IDInChI=1S/C87H143N29O20/c1-44(2)34-61(109-72(124)55(103-49(10)118)16-11-12-30-88)77(129)105-57(18-14-32-100-86(94)95)75(127)114-66(40-52-42-98-43-102-52)81(133)113-65(39-51-22-26-54(120)27-23-51)80(132)110-63(36-46(5)6)79(131)115-67(41-69(90)122)82(134)111-62(35-45(3)4)78(130)112-64(37-47(7)8)83(135)116-70(48(9)117)84(136)107-58(19-15-33-101-87(96)97)73(125)106-59(28-29-68(89)121)76(128)104-56(17-13-31-99-85(92)93)74(126)108-60(71(91)123)38-50-20-24-53(119)25-21-50/h20-27,42-48,55-67,70,117,119-120H,11-19,28-41,88H2,1-10H3,(H2,89,121)(H2,90,122)(H2,91,123)(H,98,102)(H,103,118)(H,104,128)(H,105,129)(H,106,125)(H,107,136)(H,108,126)(H,109,124)(H,110,132)(H,111,134)(H,112,130)(H,113,133)(H,114,127)(H,115,131)(H,116,135)(H4,92,93,99)(H4,94,95,100)(H4,96,97,101)/t48-,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,70+/m1/s1
PubChem CID122178182
ChEMBLCHEMBL3578011
IUPHARN/A
BindingDB50089433
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
EC500.5 nMPMID25905598ChEMBL
EC500.5 nMPMID25905598BindingDB
EC500.501187 nMPMID25905598BindingDB
EC500.5012 nMPMID25905598ChEMBL
Efficacy68.0 %PMID25905598ChEMBL

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