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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

NameCHEMBL410818
Molecular formulaC81H103ClN16O15
IUPAC name(2R)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[(4-acetamidobenzoyl)-methylamino]-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-acetamidophenyl)propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1576.26
Hydrogen bond acceptor17
Hydrogen bond donor14
XlogP4.7
SynonymsBDBM50060797
[L or DAgl (Me, 4-(acetylamino)benzoyl)6]acyline
Inchi KeyBMGOJKRFAAFFAQ-RHNJQLEHSA-N
Inchi IDInChI=1S/C81H103ClN16O15/c1-46(2)38-63(72(104)90-62(19-12-13-36-85-47(3)4)81(113)98-37-15-20-69(98)78(110)86-48(5)70(83)103)94-79(111)71(97(9)80(112)57-27-33-61(34-28-57)88-50(7)101)96-76(108)66(41-53-24-31-60(32-25-53)87-49(6)100)93-77(109)68(45-99)95-75(107)67(43-55-16-14-35-84-44-55)92-74(106)65(40-52-22-29-59(82)30-23-52)91-73(105)64(89-51(8)102)42-54-21-26-56-17-10-11-18-58(56)39-54/h10-11,14,16-18,21-35,39,44,46-48,62-69,71,85,99H,12-13,15,19-20,36-38,40-43,45H2,1-9H3,(H2,83,103)(H,86,110)(H,87,100)(H,88,101)(H,89,102)(H,90,104)(H,91,105)(H,92,106)(H,93,109)(H,94,111)(H,95,107)(H,96,108)/t48-,62+,63+,64-,65-,66+,67-,68+,69-,71-/m1/s1
PubChem CID44348174
ChEMBLCHEMBL410818
IUPHARN/A
BindingDB50060797
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
IC501.9 nMPMID9371239BindingDB,ChEMBL

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