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GPCR

NameGonadotropin-releasing hormone receptor
SpeciesHomo sapiens (Human)
GeneGNRHR
SynonymLHRHR
GnRH I receptor
Type I GnRHR
gnRH receptor
GnRH-R
[ Show all ]
DiseaseUterine leiomyoma
Hypothalamic hypogonadism
Ovulation
Prostate cancer
Prostate disease
[ Show all ]
Length328
Amino acid sequenceMANSASPEQNQNHCSAINNSIPLMQGNLPTLTLSGKIRVTVTFFLFLLSATFNASFLLKLQKWTQKKEKGKKLSRMKLLLKHLTLANLLETLIVMPLDGMWNITVQWYAGELLCKVLSYLKLFSMYAPAFMMVVISLDRSLAITRPLALKSNSKVGQSMVGLAWILSSVFAGPQLYIFRMIHLADSSGQTKVFSQCVTHCSFSQWWHQAFYNFFTFSCLFIIPLFIMLICNAKIIFTLTRVLHQDPHELQLNQSKNNIPRARLKTLKMTVAFATSFTVCWTPYYVLGIWYWFDPEMLNRLSDPVNHFFFLFAFLNPCFDPLIYGYFSL
UniProtP30968
Protein Data BankN/A
GPCR-HGmod modelP30968
3D structure modelThis predicted structure model is from GPCR-EXP P30968.
BioLiPN/A
Therapeutic Target DatabaseT12475
ChEMBLCHEMBL1855
IUPHAR256
DrugBankBE0000203

Ligand

NameCHEMBL2370818
Molecular formulaC74H106ClN23O12
IUPAC name(2R)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoyl]amino]-6-[(5-amino-1H-1,2,4-triazol-3-yl)amino]hexanoyl]amino]-4-methylpentanoyl]amino]-6-(propan-2-ylamino)hexanoyl]-N-[(2S)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1545.26
Hydrogen bond acceptor22
Hydrogen bond donor18
XlogP4.7
SynonymsBDBM50000001
[Ac-(D)Nal-(D)Cpa-(D)Pal-Ser-Lys(atz)-(D)Lys(atz)-Leu-ILys-Pro-Gly-NHEt]GnRH
Inchi KeyAPYKABCXCKNQMG-UJTDJPINSA-N
Inchi IDInChI=1S/C74H106ClN23O12/c1-42(2)35-55(64(104)87-54(22-11-12-31-80-43(3)4)70(110)98-34-16-23-60(98)69(109)83-44(5)61(76)101)88-63(103)53(21-10-14-33-82-74-93-72(78)95-97-74)85-62(102)52(20-9-13-32-81-73-92-71(77)94-96-73)86-68(108)59(41-99)91-67(107)58(39-48-17-15-30-79-40-48)90-66(106)57(37-46-25-28-51(75)29-26-46)89-65(105)56(84-45(6)100)38-47-24-27-49-18-7-8-19-50(49)36-47/h7-8,15,17-19,24-30,36,40,42-44,52-60,80,99H,9-14,16,20-23,31-35,37-39,41H2,1-6H3,(H2,76,101)(H,83,109)(H,84,100)(H,85,102)(H,86,108)(H,87,104)(H,88,103)(H,89,105)(H,90,106)(H,91,107)(H4,77,81,92,94,96)(H4,78,82,93,95,97)/t44-,52-,53-,54-,55-,56+,57-,58+,59-,60+/m0/s1
PubChem CID73345502
ChEMBLCHEMBL2370818
IUPHARN/A
BindingDB50000001
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
Kd0.48 nMPMID1280300ChEMBL
Kd0.48 nMPMID1280300BindingDB

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