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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

NameCHEMBL3272874
Molecular formulaC64H85ClN14O14
IUPAC namebenzyl N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R,3S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate;hydrochloride
Molecular weight1309.92
Hydrogen bond acceptor15
Hydrogen bond donor16
XlogPNone
SynonymsN/A
Inchi KeyASUXTUKZMQEOMA-IZNCXHCQSA-N
Inchi IDInChI=1S/C64H84N14O14.ClH/c1-4-68-60(88)51-22-14-30-78(51)62(90)46(21-13-29-69-63(66)67)71-56(84)47(31-37(2)3)74-61(89)53(54(82)40-17-9-6-10-18-40)77-58(86)48(32-38-23-25-42(80)26-24-38)72-59(87)50(35-79)75-57(85)49(33-41-34-70-44-20-12-11-19-43(41)44)73-55(83)45(27-28-52(65)81)76-64(91)92-36-39-15-7-5-8-16-39;/h5-12,15-20,23-26,34,37,45-51,53-54,70,79-80,82H,4,13-14,21-22,27-33,35-36H2,1-3H3,(H2,65,81)(H,68,88)(H,71,84)(H,72,87)(H,73,83)(H,74,89)(H,75,85)(H,76,91)(H,77,86)(H4,66,67,69);1H/t45-,46-,47-,48-,49-,50-,51-,53+,54-;/m0./s1
PubChem CID90677783
ChEMBLCHEMBL3272874
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.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
ED5012.7 molar ratioPMID385877ChEMBL
Inhibition82.0 %PMID385877ChEMBL

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