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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

NameCHEMBL1791242
Molecular formulaC147H242N44O42S
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-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]-1-oxopropan-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 weight3329.88
Hydrogen bond acceptor49
Hydrogen bond donor49
XlogP-14.2
SynonymsN/A
Inchi KeyFFMWIWQZMXCCOP-DOZKAYQKSA-N
Inchi IDInChI=1S/C147H242N44O42S/c1-19-75(11)114(189-121(210)80(16)167-131(220)103(65-112(202)203)178-119(208)77(13)165-122(211)87(150)61-83-38-42-85(196)43-39-83)143(232)184-101(62-82-31-22-21-23-32-82)137(226)191-116(81(17)195)144(233)185-102(64-110(153)200)136(225)188-107(70-194)141(230)182-100(63-84-40-44-86(197)45-41-84)135(224)174-92(37-30-55-163-147(159)160)126(215)172-89(33-24-26-51-148)124(213)166-79(15)120(209)177-96(57-71(3)4)123(212)164-67-111(201)169-93(46-48-108(151)198)128(217)180-99(60-74(9)10)134(223)187-105(68-192)139(228)168-78(14)118(207)171-91(36-29-54-162-146(157)158)125(214)173-90(34-25-27-52-149)127(216)179-98(59-73(7)8)133(222)181-97(58-72(5)6)132(221)175-94(47-49-109(152)199)129(218)183-104(66-113(204)205)138(227)190-115(76(12)20-2)142(231)176-95(50-56-234-18)130(219)186-106(69-193)140(229)170-88(117(154)206)35-28-53-161-145(155)156/h21-23,31-32,38-45,71-81,87-107,114-116,192-197H,19-20,24-30,33-37,46-70,148-150H2,1-18H3,(H2,151,198)(H2,152,199)(H2,153,200)(H2,154,206)(H,164,212)(H,165,211)(H,166,213)(H,167,220)(H,168,228)(H,169,201)(H,170,229)(H,171,207)(H,172,215)(H,173,214)(H,174,224)(H,175,221)(H,176,231)(H,177,209)(H,178,208)(H,179,216)(H,180,217)(H,181,222)(H,182,230)(H,183,218)(H,184,232)(H,185,233)(H,186,219)(H,187,223)(H,188,225)(H,189,210)(H,190,227)(H,191,226)(H,202,203)(H,204,205)(H4,155,156,161)(H4,157,158,162)(H4,159,160,163)/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-,107-,114-,115-,116-/m0/s1
PubChem CID56671550
ChEMBLCHEMBL1791242
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 potency0.06 -PMID9513600ChEMBL

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