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GPCR

NameGrowth hormone-releasing hormone receptor
SpeciesRattus norvegicus (Rat)
GeneGhrhr
SynonymGhrfr
GHRH receptor
GRF receptor
GRFR
Growth hormone-releasing factor receptor
DiseaseN/A for non-human GPCRs
Length464
Amino acid sequenceMDSLLWATWVLCLLNLWGVALGHLHLECDFITQLRDDELACLQAAEGTNNSSMGCPGTWDGLLCWPPTGSGQWVSLPCPEFFSHFGSDPGAVKRDCTITGWSDPFPPYPVACPVPLELLTEEKSYFSTVKIIYTTGHSISIVALCVAIAILVALRRLHCPRNYIHTQLFATFILKASAVFLKDAAVFQGDSTDHCSMSTILCKVSVAVSHFATMTNFSWLLAEAVYLSCLLASTSPRSKPAFWWLVLAGWGLPVLCTGTWVGCKLAFEDTACWDLDDSSPYWWIIKGPIVLSVGVNFGLFLNIICILLRKLGPAQGGLHTRAQYCNYLLPWSCPLPQVPRERTDLGPSSHEITVQESGTRNCQLPWRLSKSTLLLIPLFGIHYIIFNFLPDSAGLGIRLPLELGLGSFQGFVVAVLYCFLNQEVRTEISRKWYGHDPELLPARRTCTEWTTPPRSRVKVLTSEC
UniProtQ02644
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3709
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL1791205
Molecular formulaC146H239N41O42S
IUPAC name(3S)-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight3272.82
Hydrogen bond acceptor48
Hydrogen bond donor47
XlogP-12.1
SynonymsN/A
Inchi KeyDHUWCEXZYKAEBZ-BEGUDZGQSA-N
Inchi IDInChI=1S/C146H239N41O42S/c1-21-75(13)114(185-120(205)80(18)163-130(215)102(64-111(198)199)172-119(204)78(16)162-121(206)87(149)60-83-38-42-85(192)43-39-83)143(228)179-100(61-82-32-24-23-25-33-82)136(221)187-116(81(19)191)144(229)180-101(63-109(152)196)135(220)183-106(69-190)140(225)176-99(62-84-40-44-86(193)45-41-84)134(219)169-91(37-31-54-159-146(156)157)124(209)168-89(35-27-29-52-148)129(214)184-113(74(11)12)141(226)178-95(56-70(3)4)122(207)160-66-110(197)165-92(46-48-107(150)194)126(211)174-98(59-73(9)10)133(218)182-105(68-189)139(224)164-79(17)118(203)166-90(36-30-53-158-145(154)155)123(208)167-88(34-26-28-51-147)125(210)173-97(58-72(7)8)132(217)175-96(57-71(5)6)131(216)170-93(47-49-108(151)195)127(212)177-103(65-112(200)201)137(222)186-115(76(14)22-2)142(227)171-94(50-55-230-20)128(213)181-104(67-188)138(223)161-77(15)117(153)202/h23-25,32-33,38-45,70-81,87-106,113-116,188-193H,21-22,26-31,34-37,46-69,147-149H2,1-20H3,(H2,150,194)(H2,151,195)(H2,152,196)(H2,153,202)(H,160,207)(H,161,223)(H,162,206)(H,163,215)(H,164,224)(H,165,197)(H,166,203)(H,167,208)(H,168,209)(H,169,219)(H,170,216)(H,171,227)(H,172,204)(H,173,210)(H,174,211)(H,175,217)(H,176,225)(H,177,212)(H,178,226)(H,179,228)(H,180,229)(H,181,213)(H,182,218)(H,183,220)(H,184,214)(H,185,205)(H,186,222)(H,187,221)(H,198,199)(H,200,201)(H4,154,155,158)(H4,156,157,159)/t75-,76-,77-,78-,79-,80-,81+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,113-,114-,115-,116-/m0/s1
PubChem CID56678356
ChEMBLCHEMBL1791205
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
Relative potency0.59 -PMID9513600ChEMBL

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