Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

GPCR

NameNeuropeptide Y receptor type 1
SpeciesCavia porcellus (Guinea pig)
GeneNPY1R
SynonymNPY1-R
DiseaseN/A for non-human GPCRs
Length383
Amino acid sequenceMNSTSFSQLENHSVHYNLSEEKPSFFAFENDDCHLPLAVIFTLALAYGAVIILGVSGNLALILIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTLMDHWIFGEIMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYIGIAVIWVLAVASSLPFMIYQVLTDEPFQNVTLDAFKDKLVCFDQFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKMRDSKYRSSESKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPLAFKKISCVENEKI
UniProtQ9WVD0
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL44246
Molecular formulaC27H31N5O3
IUPAC name5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
Molecular weight473.577
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP2.5
SynonymsBDBM84996
CAS_5311023
2-Diphenylacetylamino-5-guanidino-pentanoic acid 4-hydroxy-benzylamide
L000127
BDBM50065469
[ Show all ]
Inchi KeyKUWBXRGRMQZCSS-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)
PubChem CID21129772
ChEMBLCHEMBL44246
IUPHARN/A
BindingDB84996, 50065469
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki4.9 nMPMID10499421PDSP,BindingDB

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