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

NameMas-related G-protein coupled receptor member X1
SpeciesMus musculus (Mouse)
GeneMrgprx1
SynonymMas-related G-protein coupled receptor member C11
Sensory neuron-specific G-protein coupled receptor 1
DiseaseN/A for non-human GPCRs
Length322
Amino acid sequenceMDPTISSHDTESTPLNETGHPNCTPILTLSFLVLITTLVGLAGNTIVLWLLGFRMRRKAISVYILNLALADSFFLCCHFIDSLLRIIDFYGLYAHKLSKDILGNAAIIPYISGLSILSAISTERCLCVLWPIWYHCHRPRNMSAIICALIWVLSFLMGILDWFSGFLGETHHHLWKNVDFIITAFLIFLFMLLSGSSLALLLRILCGPRRKPLSRLYVTIALTVMVYLICGLPLGLYLFLLYWFGVHLHYPFCHIYQVTAVLSCVNSSANPIIYFLVGSFRQHRKHRSLKRVLKRALEDTPEEDEYTDSHLHKTTEISESRY
UniProtQ8CIP3
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3341576
IUPHARN/A
DrugBankN/A

Ligand

NameBAM(8-22)
Molecular formulaC91H127N25O23S
IUPAC name(4S)-5-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-6-amino-1-[(2S)-5-carbamimidamido-1-[(2S)-1-(carboxymethylimino)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxyhexan-2-yl]imino-1,5-dihydroxy-5-iminopentan-2-yl]imino-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]imino-3-carboxy-1-hydroxypropan-2-yl]imino-1-hydroxy-4-methylsulfanylbutan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]imino-4-[[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino]-1-hydroxyethylidene]amino]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]-hydroxymethylidene]amino]-5-hydroxypentanoic acid
Molecular weight1971.23
Hydrogen bond acceptor42
Hydrogen bond donor30
XlogP1.4
SynonymsN/A
Inchi KeyGOEYECACIBFJGZ-NPAGUKBMSA-N
Inchi IDInChI=1S/C91H127N25O23S/c1-48(2)76(94)88(138)103-46-72(120)105-64(19-11-36-100-91(97)98)89(139)116-37-12-20-70(116)87(137)110-62(30-32-73(121)122)81(131)113-68(42-52-45-102-58-16-7-5-14-56(52)58)85(135)114-67(41-51-44-101-57-15-6-4-13-55(51)57)84(134)109-63(33-38-140-3)82(132)115-69(43-74(123)124)86(136)112-66(40-50-23-27-54(118)28-24-50)83(133)108-61(29-31-71(93)119)80(130)106-59(17-8-9-34-92)78(128)107-60(18-10-35-99-90(95)96)79(129)111-65(77(127)104-47-75(125)126)39-49-21-25-53(117)26-22-49/h4-7,13-16,21-28,44-45,48,59-70,76,101-102,117-118H,8-12,17-20,29-43,46-47,92,94H2,1-3H3,(H2,93,119)(H,103,138)(H,104,127)(H,105,120)(H,106,130)(H,107,128)(H,108,133)(H,109,134)(H,110,137)(H,111,129)(H,112,136)(H,113,131)(H,114,135)(H,115,132)(H,121,122)(H,123,124)(H,125,126)(H4,95,96,99)(H4,97,98,100)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-/m0/s1
PubChem CID101401182
ChEMBLCHEMBL3343989
IUPHARN/A
BindingDB224021
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.

Experimental Data

ParameterValueReferenceDatabase source
EC50251.19 nMPMID25288495ChEMBL

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