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

NameCorticotropin-releasing factor receptor 2
SpeciesHomo sapiens (Human)
GeneCRHR2
SynonymCRH-R2
CRH-R-2
CRFR2beta
CRFR2alpha
CRFR2
[ Show all ]
DiseaseGeneralized anxiety disorder
Anxiety disorder
Congestive heart failure
Eating disorders stimulate food consumption anxiety
Length411
Amino acid sequenceMDAALLHSLLEANCSLALAEELLLDGWGPPLDPEGPYSYCNTTLDQIGTCWPRSAAGALVERPCPEYFNGVKYNTTRNAYRECLENGTWASKINYSQCEPILDDKQRKYDLHYRIALVVNYLGHCVSVAALVAAFLLFLALRSIRCLRNVIHWNLITTFILRNVMWFLLQLVDHEVHESNEVWCRCITTIFNYFVVTNFFWMFVEGCYLHTAIVMTYSTERLRKCLFLFIGWCIPFPIIVAWAIGKLYYENEQCWFGKEPGDLVDYIYQGPIILVLLINFVFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDDLSQIMFIYFNSFLQSFQGFFVSVFYCFFNGEVRSAVRKRWHRWQDHHSLRVPMARAMSIPTSPTRISFHSIKQTAAV
UniProtQ13324
Protein Data BankN/A
GPCR-HGmod modelQ13324
3D structure modelThis predicted structure model is from GPCR-EXP Q13324.
BioLiPN/A
Therapeutic Target DatabaseT11011
ChEMBLCHEMBL4069
IUPHAR213
DrugBankN/A

Ligand

NameCHEMBL128100
Molecular formulaC18H19Cl3F3N3S
IUPAC name5-[[cyclopropylmethyl(propyl)amino]methyl]-N-(2,4,6-trichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
Molecular weight472.776
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP7.1
SynonymsBDBM50135329
N-(Cyclopropylmethyl)-N-propyl-2-(2,4,6-trichlorophenylamino)-4-(trifluoromethyl)thiazole-5-methanamine
{5-[(Cyclopropylmethyl-propyl-amino)-methyl]-4-trifluoromethyl-thiazol-2-yl}-(2,4,6-trichloro-phenyl)-amine
Inchi KeyXRSROGZJPUWHNX-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H19Cl3F3N3S/c1-2-5-27(8-10-3-4-10)9-14-16(18(22,23)24)26-17(28-14)25-15-12(20)6-11(19)7-13(15)21/h6-7,10H,2-5,8-9H2,1H3,(H,25,26)
PubChem CID9869432
ChEMBLCHEMBL128100
IUPHARN/A
BindingDB50135329
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
EC5042.0 nMPMID14592493BindingDB,ChEMBL
IC5010000.0 nMPMID14592493BindingDB,ChEMBL

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