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 2
SpeciesHomo sapiens (Human)
GeneGALR2
SynonymGAL2 receptor
GAL2-R
GALNR2
GALR-2
DiseaseN/A
Length387
Amino acid sequenceMNVSGCPGAGNASQAGGGGGWHPEAVIVPLLFALIFLVGTVGNTLVLAVLLRGGQAVSTTNLFILNLGVADLCFILCCVPFQATIYTLDGWVFGSLLCKAVHFLIFLTMHASSFTLAAVSLDRYLAIRYPLHSRELRTPRNALAAIGLIWGLSLLFSGPYLSYYRQSQLANLTVCHPAWSAPRRRAMDICTFVFSYLLPVLVLGLTYARTLRYLWRAVDPVAAGSGARRAKRKVTRMILIVAALFCLCWMPHHALILCVWFGQFPLTRATYALRILSHLVSYANSCVNPIVYALVSKHFRKGFRTICAGLLGRAPGRASGRVCAAARGTHSGSVLERESSDLLHMSEAAGALRPCPGASQPCILEPCPGPSWQGPKAGDSILTVDVA
UniProtO43603
Protein Data BankN/A
GPCR-HGmod modelO43603
3D structure modelThis predicted structure model is from GPCR-EXP O43603.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3176
IUPHAR244
DrugBankN/A

Ligand

NameMLS000567024
Molecular formulaC14H9N3S
IUPAC name(E)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
Molecular weight251.307
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.0
Synonyms(E)-2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
BAS 00442707
MDVSLHGZTWHJMW-CSKARUKUSA-N
(2E)-2-(1H-Benzimidazol-2-yl)-3-(2-thienyl)-2-propenenitrile #
2-(1H-benzo[d]imidazol-2-yl)-3-(2-thienyl)acrylonitrile
[ Show all ]
Inchi KeyMDVSLHGZTWHJMW-CSKARUKUSA-N
Inchi IDInChI=1S/C14H9N3S/c15-9-10(8-11-4-3-7-18-11)14-16-12-5-1-2-6-13(12)17-14/h1-8H,(H,16,17)/b10-8+
PubChem CID5334847
ChEMBLCHEMBL116569
IUPHARN/A
BindingDB42055
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<42000.0 nM, PubChem BioAssay data setBindingDB,ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417