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

NameMelanin-concentrating hormone receptor 2
SpeciesHomo sapiens (Human)
GeneMCHR2
SynonymG-protein coupled receptor 145
melanin-concentrating hormone receptor 2
MCHR-2
MCH2R
MCH2 receptor
[ Show all ]
DiseaseN/A
Length340
Amino acid sequenceMNPFHASCWNTSAELLNKSWNKEFAYQTASVVDTVILPSMIGIICSTGLVGNILIVFTIIRSRKKTVPDIYICNLAVADLVHIVGMPFLIHQWARGGEWVFGGPLCTIITSLDTCNQFACSAIMTVMSVDRYFALVQPFRLTRWRTRYKTIRINLGLWAASFILALPVWVYSKVIKFKDGVESCAFDLTSPDDVLWYTLYLTITTFFFPLPLILVCYILILCYTWEMYQQNKDARCCNPSVPKQRVMKLTKMVLVLVVVFILSAAPYHVIQLVNLQMEQPTLAFYVGYYLSICLSYASSSINPFLYILLSGNFQKRLPQIQRRATEKEINNMGNTLKSHF
UniProtQ969V1
Protein Data BankN/A
GPCR-HGmod modelQ969V1
3D structure modelThis predicted structure model is from GPCR-EXP Q969V1.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5038
IUPHAR281
DrugBankN/A

Ligand

NameCHEMBL196667
Molecular formulaC22H22Cl2N4O2
IUPAC name2-(2,4-dichlorophenoxy)-N-(4-methyl-2-piperazin-1-ylquinolin-6-yl)acetamide
Molecular weight445.344
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50172440
SCHEMBL5910584
2-(2,4-Dichloro-phenoxy)-N-(4-methyl-2-piperazin-1-yl-quinolin-6-yl)-acetamide
Inchi KeyGALAIUNXQRYFIW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22Cl2N4O2/c1-14-10-21(28-8-6-25-7-9-28)27-19-4-3-16(12-17(14)19)26-22(29)13-30-20-5-2-15(23)11-18(20)24/h2-5,10-12,25H,6-9,13H2,1H3,(H,26,29)
PubChem CID10388797
ChEMBLCHEMBL196667
IUPHARN/A
BindingDB50172440
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC503.7 nMPMID16134937BindingDB,ChEMBL

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