Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

GPCR

NameNeuropeptide Y receptor type 4
SpeciesHomo sapiens (Human)
GeneNPY4R
SynonymNPY4-R
neuropeptide Y receptor type 4
pancreatic polypeptide receptor 1
PP1
Y4 receptor
DiseaseObesity
Diabetes
Schizophrenia
Length375
Amino acid sequenceMNTSHLLALLLPKSPQGENRSKPLGTPYNFSEHCQDSVDVMVFIVTSYSIETVVGVLGNLCLMCVTVRQKEKANVTNLLIANLAFSDFLMCLLCQPLTAVYTIMDYWIFGETLCKMSAFIQCMSVTVSILSLVLVALERHQLIINPTGWKPSISQAYLGIVLIWVIACVLSLPFLANSILENVFHKNHSKALEFLADKVVCTESWPLAHHRTIYTTFLLLFQYCLPLGFILVCYARIYRRLQRQGRVFHKGTYSLRAGHMKQVNVVLVVMVVAFAVLWLPLHVFNSLEDWHHEAIPICHGNLIFLVCHLLAMASTCVNPFIYGFLNTNFKKEIKALVLTCQQSAPLEESEHLPLSTVHTEVSKGSLRLSGRSNPI
UniProtP50391
Protein Data BankN/A
GPCR-HGmod modelP50391
3D structure modelThis predicted structure model is from GPCR-EXP P50391.
BioLiPN/A
Therapeutic Target DatabaseT27944
ChEMBLCHEMBL4877
IUPHAR307
DrugBankBE0002418

Ligand

NameCHEMBL2371910
Molecular formulaC81H120N28O14
IUPAC name(2S,6S)-2,6-diamino-N,N'-bis[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]heptanediamide
Molecular weight1710.03
Hydrogen bond acceptor20
Hydrogen bond donor26
XlogP-2.3
SynonymsBDBM50185368
CHEMBL439884
Pim[-Trp-Arg-Nva-Arg-Tyr-NH2]2
Inchi KeyLTYROZHCAWVGIV-IGPFWFIDSA-N
Inchi IDInChI=1S/C81H120N28O14/c1-3-14-56(70(116)102-60(24-12-36-96-80(90)91)74(120)106-62(66(84)112)38-44-26-30-48(110)31-27-44)100-72(118)58(22-10-34-94-78(86)87)104-76(122)64(40-46-42-98-54-20-7-5-16-50(46)54)108-68(114)52(82)18-9-19-53(83)69(115)109-65(41-47-43-99-55-21-8-6-17-51(47)55)77(123)105-59(23-11-35-95-79(88)89)73(119)101-57(15-4-2)71(117)103-61(25-13-37-97-81(92)93)75(121)107-63(67(85)113)39-45-28-32-49(111)33-29-45/h5-8,16-17,20-21,26-33,42-43,52-53,56-65,98-99,110-111H,3-4,9-15,18-19,22-25,34-41,82-83H2,1-2H3,(H2,84,112)(H2,85,113)(H,100,118)(H,101,119)(H,102,116)(H,103,117)(H,104,122)(H,105,123)(H,106,120)(H,107,121)(H,108,114)(H,109,115)(H4,86,87,94)(H4,88,89,95)(H4,90,91,96)(H4,92,93,97)/t52-,53-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1
PubChem CID73348635
ChEMBLCHEMBL2371910
IUPHARN/A
BindingDBN/A
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
EC50200.0 nMPMID16610810ChEMBL
EC50220.0 nMPMID16610810ChEMBL
Ki4.1 nMPMID16610810ChEMBL
Ki4.3 nMPMID16610810ChEMBL

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218