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 1
SpeciesRattus norvegicus (Rat)
GeneNpy1r
SynonymY1 receptor
neuropeptide Y receptor type 1
NPY-Y1 receptor
FC5
NPY1-R
[ Show all ]
DiseaseN/A for non-human GPCRs
Length382
Amino acid sequenceMNSTLFSRVENYSVHYNVSENSPFLAFENDDCHLPLAVIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAVMCLPFTFVYTLMDHWVFGETMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYIGITVIWVLAVASSLPFVIYQILTDEPFQNVSLAAFKDKYVCFDKFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKIRDSKYRSSETKRINVMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKISMNDNEKI
UniProtP21555
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2587
IUPHAR305
DrugBankN/A

Ligand

NameCHEMBL61532
Molecular formulaC30H41ClN4O2
IUPAC name2-[(4-chlorophenoxy)methyl]-4-(3-piperidin-1-ylpropoxy)-1-(3-piperidin-3-ylpropyl)benzimidazole
Molecular weight525.134
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.7
SynonymsBDBM50065468
2-(4-Chloro-phenoxymethyl)-4-(3-piperidin-1-yl-propoxy)-1-(3-piperidin-3-yl-propyl)-1H-benzoimidazole
4-(3-Piperidinopropoxy)-2-(4-chlorophenoxymethyl)-1-[3-(3-piperidinyl)propyl]-1H-benzimidazole
Inchi KeySHFZELZOQAXTFF-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H41ClN4O2/c31-25-12-14-26(15-13-25)37-23-29-33-30-27(35(29)20-6-9-24-8-5-16-32-22-24)10-4-11-28(30)36-21-7-19-34-17-2-1-3-18-34/h4,10-15,24,32H,1-3,5-9,16-23H2
PubChem CID10414488
ChEMBLCHEMBL61532
IUPHARN/A
BindingDB50065468
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC501.7 nMPMID9925722BindingDB,ChEMBL

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