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

NameCID 25180486
Molecular formulaC95H150N22O21
IUPAC name(2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-6-(hexadecanoylamino)-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]butanediamide
Molecular weight1936.38
Hydrogen bond acceptor23
Hydrogen bond donor23
XlogP5.3
SynonymsN/A
Inchi KeyKIBFTRZSIFTOGK-OOFOAJPUSA-N
Inchi IDInChI=1S/C95H150N22O21/c1-12-13-14-15-16-17-18-19-20-21-22-23-24-34-78(122)100-39-28-27-32-67(83(97)126)109-85(128)59(9)106-87(130)73(46-63-49-99-54-104-63)113-94(137)76-33-29-40-117(76)81(125)52-103-86(129)68(41-55(2)3)110-88(131)69(42-56(4)5)111-90(133)71(44-61-35-37-64(120)38-36-61)107-80(124)51-102-84(127)58(8)105-93(136)75(53-118)115-91(134)74(47-77(96)121)112-89(132)70(43-57(6)7)114-95(138)82(60(10)119)116-92(135)72(108-79(123)50-98-11)45-62-48-101-66-31-26-25-30-65(62)66/h25-26,30-31,35-38,48-49,54-60,67-76,82,98,101,118-120H,12-24,27-29,32-34,39-47,50-53H2,1-11H3,(H2,96,121)(H2,97,126)(H,99,104)(H,100,122)(H,102,127)(H,103,129)(H,105,136)(H,106,130)(H,107,124)(H,108,123)(H,109,128)(H,110,131)(H,111,133)(H,112,132)(H,113,137)(H,114,138)(H,115,134)(H,116,135)/t58-,59-,60+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,82-/m0/s1
PubChem CID25180486
ChEMBLCHEMBL526862
IUPHARN/A
BindingDB50273352
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki160.0 nMPMID19053761BindingDB,ChEMBL

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