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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

NameCHEMBL429708
Molecular formulaC148H241N45O43S
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-[[(3R,6S,9S,18R)-18-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]-6-(3-amino-3-oxopropyl)-3-(carboxymethyl)-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-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 weight3370.89
Hydrogen bond acceptor50
Hydrogen bond donor50
XlogP-16.2
SynonymsN/A
Inchi KeyKYPLLWSJRQCTBQ-MEDSGTOESA-N
Inchi IDInChI=1S/C148H241N45O43S/c1-16-76(10)116(192-121(212)79(13)168-133(224)103(66-113(205)206)180-120(211)77(11)167-122(213)86(151)62-82-37-41-84(198)42-38-82)144(235)186-101(63-81-29-18-17-19-30-81)139(230)193-117(80(14)197)145(236)187-102(65-110(154)202)137(228)190-107(71-196)142(233)183-100(64-83-39-43-85(199)44-40-83)136(227)176-92(36-28-57-165-148(160)161)126(217)174-90(32-21-24-53-150)132(223)191-115(75(8)9)143(234)185-97(59-72(2)3)123(214)166-68-112(204)170-93(45-48-108(152)200)128(219)182-99(61-74(6)7)135(226)189-105(69-194)140(231)169-78(12)119(210)172-91(35-27-56-164-147(158)159)125(216)173-88(31-20-23-52-149)127(218)181-98(60-73(4)5)134(225)178-95-47-50-111(203)162-54-25-22-33-89(175-138(229)104(67-114(207)208)184-130(221)94(177-129(95)220)46-49-109(153)201)124(215)179-96(51-58-237-15)131(222)188-106(70-195)141(232)171-87(118(155)209)34-26-55-163-146(156)157/h17-19,29-30,37-44,72-80,86-107,115-117,194-199H,16,20-28,31-36,45-71,149-151H2,1-15H3,(H2,152,200)(H2,153,201)(H2,154,202)(H2,155,209)(H,162,203)(H,166,214)(H,167,213)(H,168,224)(H,169,231)(H,170,204)(H,171,232)(H,172,210)(H,173,216)(H,174,217)(H,175,229)(H,176,227)(H,177,220)(H,178,225)(H,179,215)(H,180,211)(H,181,218)(H,182,219)(H,183,233)(H,184,221)(H,185,234)(H,186,235)(H,187,236)(H,188,222)(H,189,226)(H,190,228)(H,191,223)(H,192,212)(H,193,230)(H,205,206)(H,207,208)(H4,156,157,163)(H4,158,159,164)(H4,160,161,165)/t76-,77-,78-,79-,80+,86-,87+,88-,89+,90-,91-,92-,93-,94-,95-,96+,97-,98-,99-,100-,101-,102-,103-,104+,105-,106+,107-,115-,116-,117-/m0/s1
PubChem CID44376400
ChEMBLCHEMBL429708
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 potency>0.008 -PMID9513600ChEMBL

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