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 ●DMFold ●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

NameGonadotropin-releasing hormone receptor
SpeciesRattus norvegicus (Rat)
GeneGnrhr
Synonymluteinizing hormone-releasing hormone (LHRH) receptor
luliberin receptor
LHRHR
LHRH receptor
GNRHR1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length327
Amino acid sequenceMANNASLEQDQNHCSAINNSIPLTQGKLPTLTLSGKIRVTVTFFLFLLSTAFNASFLVKLQRWTQKRKKGKKLSRMKVLLKHLTLANLLETLIVMPLDGMWNITVQWYAGEFLCKVLSYLKLFSMYAPAFMMVVISLDRSLAVTQPLAVQSKSKLERSMTSLAWILSIVFAGPQLYIFRMIYLADGSGPAVFSQCVTHCSFPQWWHEAFYNFFTFSCLFIIPLLIMLICNAKIIFALTRVLHQDPRKLQLNQSKNNIPRARLRTLKMTVAFGTSFVICWTPYYVLGIWYWFDPEMLNRVSEPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProtP30969
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3066
IUPHAR256
DrugBankN/A

Ligand

NameCHEMBL439697
Molecular formulaC91H124ClN25O13
IUPAC name(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-[4-[6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoylamino]phenyl]propanoyl]amino]-3-[4-[6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoylamino]phenyl]propanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[(1R)-1-aminoethyl]pyrrolidine-2-carboxamide
Molecular weight1811.6
Hydrogen bond acceptor24
Hydrogen bond donor20
XlogP7.1
SynonymsN/A
Inchi KeyABHNSDNOKKKRCF-NPDLILCASA-N
Inchi IDInChI=1S/C91H124ClN25O13/c1-54(2)45-69(79(122)104-68(22-13-16-41-97-55(3)4)87(130)117-44-18-23-76(117)86(129)100-56(5)93)105-81(124)72(48-59-29-36-66(37-30-59)102-77(120)24-9-7-14-42-98-90-111-88(94)113-115-90)107-83(126)73(49-60-31-38-67(39-32-60)103-78(121)25-10-8-15-43-99-91-112-89(95)114-116-91)109-85(128)75(53-118)110-84(127)74(51-62-19-17-40-96-52-62)108-82(125)71(47-58-27-34-65(92)35-28-58)106-80(123)70(101-57(6)119)50-61-26-33-63-20-11-12-21-64(63)46-61/h11-12,17,19-21,26-40,46,52,54-56,68-76,97,118H,7-10,13-16,18,22-25,41-45,47-51,53,93H2,1-6H3,(H,100,129)(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,124)(H,106,123)(H,107,126)(H,108,125)(H,109,128)(H,110,127)(H4,94,98,111,113,115)(H4,95,99,112,114,116)/t56-,68+,69+,70-,71-,72-,73+,74-,75+,76+/m1/s1
PubChem CID44323588
ChEMBLCHEMBL439697
IUPHARN/A
BindingDBN/A
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
Relative potency0.48 -PMID7629804ChEMBL

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