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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

NameCHEMBL1791244
Molecular formulaC150H246N44O42S
IUPAC name(3R)-4-[[(2R)-1-[[(3S,6R,9R,18S)-18-[[(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-5-(diaminomethylideneamino)-1-oxopentan-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]carbamoyl]-6-benzyl-3-[(1R)-1-hydroxyethyl]-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight3369.94
Hydrogen bond acceptor49
Hydrogen bond donor49
XlogP-12.8
SynonymsN/A
Inchi KeyDCYBBYGWDWCMJE-VPSTTZLISA-N
Inchi IDInChI=1S/C150H246N44O42S/c1-18-79(12)118(146(235)180-99(53-60-237-17)133(222)190-109(72-196)143(232)172-90(120(156)209)36-28-57-164-148(157)158)193-141(230)107(69-116(207)208)187-131(220)97(48-51-112(155)202)178-136(225)101(62-75(4)5)184-137(226)102(63-76(6)7)182-128(217)91(33-22-25-54-151)175-126(215)94(37-29-58-165-149(159)160)173-121(210)82(15)170-142(231)108(71-195)191-138(227)103(64-77(8)9)183-130(219)96(47-50-111(154)201)171-114(204)70-167-125(214)100(61-74(2)3)188-145(234)117(78(10)11)192-134(223)93(34-23-26-55-152)176-127(216)95(38-30-59-166-150(161)162)177-139(228)104(67-86-41-45-88(200)46-42-86)186-144(233)110(73-197)189-129(218)92-35-24-27-56-163-113(203)52-49-98(132(221)185-105(66-84-31-20-19-21-32-84)140(229)194-119(83(16)198)147(236)179-92)174-122(211)81(14)169-135(224)106(68-115(205)206)181-123(212)80(13)168-124(213)89(153)65-85-39-43-87(199)44-40-85/h19-21,31-32,39-46,74-83,89-110,117-119,195-200H,18,22-30,33-38,47-73,151-153H2,1-17H3,(H2,154,201)(H2,155,202)(H2,156,209)(H,163,203)(H,167,214)(H,168,213)(H,169,224)(H,170,231)(H,171,204)(H,172,232)(H,173,210)(H,174,211)(H,175,215)(H,176,216)(H,177,228)(H,178,225)(H,179,236)(H,180,235)(H,181,212)(H,182,217)(H,183,219)(H,184,226)(H,185,221)(H,186,233)(H,187,220)(H,188,234)(H,189,218)(H,190,222)(H,191,227)(H,192,223)(H,193,230)(H,194,229)(H,205,206)(H,207,208)(H4,157,158,164)(H4,159,160,165)(H4,161,162,166)/t79-,80+,81+,82-,83+,89+,90-,91-,92-,93-,94-,95-,96-,97-,98+,99-,100-,101-,102-,103-,104-,105+,106+,107-,108-,109-,110-,117-,118-,119-/m0/s1
PubChem CID56657696
ChEMBLCHEMBL1791244
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 potency3.6 -PMID9513600ChEMBL
Relative potency11.1 -PMID9513600ChEMBL

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