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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

NameCHEMBL267642
Molecular formulaC80H101ClN16O15
IUPAC name(2R)-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-acetamidophenyl)propanoyl]amino]-3-(4-acetamidophenyl)propanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[(1R)-2-amino-1-formamido-2-oxoethyl]pyrrolidine-2-carboxamide
Molecular weight1562.23
Hydrogen bond acceptor17
Hydrogen bond donor15
XlogP4.4
SynonymsBDBM50060809
[L or DAgl (formyl)10]acyline
Inchi KeyBTABKZCJZXLEMX-YTSWYTFXSA-N
Inchi IDInChI=1S/C80H101ClN16O15/c1-46(2)36-62(72(104)89-61(17-10-11-34-84-47(3)4)80(112)97-35-13-18-69(97)79(111)96-71(70(82)103)85-45-99)90-74(106)65(39-52-22-29-59(30-23-52)86-48(5)100)92-76(108)66(40-53-24-31-60(32-25-53)87-49(6)101)94-78(110)68(44-98)95-77(109)67(42-55-14-12-33-83-43-55)93-75(107)64(38-51-20-27-58(81)28-21-51)91-73(105)63(88-50(7)102)41-54-19-26-56-15-8-9-16-57(56)37-54/h8-9,12,14-16,19-33,37,43,45-47,61-69,71,84,98H,10-11,13,17-18,34-36,38-42,44H2,1-7H3,(H2,82,103)(H,85,99)(H,86,100)(H,87,101)(H,88,102)(H,89,104)(H,90,106)(H,91,105)(H,92,108)(H,93,107)(H,94,110)(H,95,109)(H,96,111)/t61-,62-,63+,64+,65+,66-,67+,68-,69+,71+/m0/s1
PubChem CID44348453
ChEMBLCHEMBL267642
IUPHARN/A
BindingDB50060809
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
IC500.62 nMPMID9371239BindingDB,ChEMBL

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