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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

NameCHEMBL2370890
Molecular formulaC82H108ClN17O15
IUPAC name(2R)-2-[[(4R)-4-[[(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]-5-(diaminomethylideneamino)pentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-6-(propan-2-ylamino)hexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoyl]amino]-3-naphthalen-2-ylpropanoic acid
Molecular weight1607.32
Hydrogen bond acceptor18
Hydrogen bond donor16
XlogP2.4
SynonymsN/A
Inchi KeyBLMLZBKYIWXVKE-QZPPPIOUSA-N
Inchi IDInChI=1S/C82H108ClN17O15/c1-47(2)38-63(74(107)95-62(21-11-12-35-88-48(3)4)80(113)100-37-15-23-69(100)79(112)90-49(5)71(84)104)96-73(106)61(32-33-70(103)92-67(81(114)115)43-53-25-29-56-18-8-10-20-58(56)40-53)94-72(105)60(22-14-36-89-82(85)86)93-78(111)68(46-101)99-77(110)66(44-54-16-13-34-87-45-54)98-76(109)65(41-51-26-30-59(83)31-27-51)97-75(108)64(91-50(6)102)42-52-24-28-55-17-7-9-19-57(55)39-52/h7-10,13,16-20,24-31,34,39-40,45,47-49,60-69,88,101H,11-12,14-15,21-23,32-33,35-38,41-44,46H2,1-6H3,(H2,84,104)(H,90,112)(H,91,102)(H,92,103)(H,93,111)(H,94,105)(H,95,107)(H,96,106)(H,97,108)(H,98,109)(H,99,110)(H,114,115)(H4,85,86,89)/t49-,60+,61-,62+,63+,64-,65-,66-,67-,68+,69+/m1/s1
PubChem CID73356168
ChEMBLCHEMBL2370890
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.

Experimental Data

ParameterValueReferenceDatabase source
IC503.3 nMPMID11462984ChEMBL
Kd0.5012 nMPMID11462984ChEMBL

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