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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

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

NameGalanin receptor type 3
SpeciesHomo sapiens (Human)
GeneGALR3
SynonymGAL3-R
Galnr3
GALR-3
GALR3
GAL3 receptor
DiseaseCognitive disorders
Length368
Amino acid sequenceMADAQNISLDSPGSVGAVAVPVVFALIFLLGTVGNGLVLAVLLQPGPSAWQEPGSTTDLFILNLAVADLCFILCCVPFQATIYTLDAWLFGALVCKAVHLLIYLTMYASSFTLAAVSVDRYLAVRHPLRSRALRTPRNARAAVGLVWLLAALFSAPYLSYYGTVRYGALELCVPAWEDARRRALDVATFAAGYLLPVAVVSLAYGRTLRFLWAAVGPAGAAAAEARRRATGRAGRAMLAVAALYALCWGPHHALILCFWYGRFAFSPATYACRLASHCLAYANSCLNPLVYALASRHFRARFRRLWPCGRRRRHRARRALRRVRPASSGPPGCPGDARPSGRLLAGGGQGPEPREGPVHGGEAARGPE
UniProtO60755
Protein Data BankN/A
GPCR-HGmod modelO60755
3D structure modelThis predicted structure model is from GPCR-EXP O60755.
BioLiPN/A
Therapeutic Target DatabaseT98494
ChEMBLCHEMBL2731
IUPHAR245
DrugBankN/A

Ligand

NameMLS000684433
Molecular formulaC18H19NO
IUPAC name1-phenyl-2-(3-phenylprop-2-ynylamino)propan-1-ol
Molecular weight265.356
Hydrogen bond acceptor2
Hydrogen bond donor2
XlogP3.0
Synonyms1-phenyl-2-[(3-phenyl-2-propyn-1-yl)amino]-1-propanol hydrochloride
SMR000296172
AKOS003216488
1-phenyl-2-(3-phenylprop-2-ynylamino)propan-1-ol
cid_2974019
[ Show all ]
Inchi KeyGCQXUEHPSYDAAL-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19NO/c1-15(18(20)17-12-6-3-7-13-17)19-14-8-11-16-9-4-2-5-10-16/h2-7,9-10,12-13,15,18-20H,14H2,1H3
PubChem CID2974020
ChEMBLN/A
IUPHARN/A
BindingDB97090
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<29916.0 nMN/ABindingDB

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