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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

NameCHEMBL1791249
Molecular formulaC146H245N45O42S
IUPAC name(3R)-4-[[(2R)-1-[[(2R,3R)-1-[[(2R)-1-[[(2R,3S)-1-[[(2R)-4-amino-1-[[(2R)-1-[[(3R,6S,9S,18R)-18-[[(2S)-1-[[2-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-6-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R,3R)-1-[[(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]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]carbamoyl]-3-(4-aminobutyl)-6-[3-(diaminomethylideneamino)propyl]-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-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-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight3334.9
Hydrogen bond acceptor49
Hydrogen bond donor49
XlogP-15.2
SynonymsN/A
Inchi KeyMECBIWIMAURUQP-XNNVTVSASA-N
Inchi IDInChI=1S/C146H245N45O42S/c1-18-75(11)113(189-119(209)79(15)166-131(221)101(65-111(202)203)178-118(208)77(13)165-120(210)84(149)62-82-40-42-83(196)43-41-82)142(232)184-99(63-81-32-21-20-22-33-81)136(226)191-115(80(16)195)143(233)185-100(64-108(152)199)135(225)188-105(70-194)140(230)176-93-46-49-109(200)160-53-28-25-36-88(173-122(212)86(34-23-26-51-147)171-124(214)90(174-128(93)218)39-31-56-163-146(158)159)125(215)179-95(58-71(3)4)121(211)164-67-110(201)168-91(44-47-106(150)197)127(217)181-98(61-74(9)10)134(224)187-103(68-192)138(228)167-78(14)117(207)170-89(38-30-55-162-145(156)157)123(213)172-87(35-24-27-52-148)126(216)180-97(60-73(7)8)133(223)182-96(59-72(5)6)132(222)175-92(45-48-107(151)198)129(219)183-102(66-112(204)205)137(227)190-114(76(12)19-2)141(231)177-94(50-57-234-17)130(220)186-104(69-193)139(229)169-85(116(153)206)37-29-54-161-144(154)155/h20-22,32-33,40-43,71-80,84-105,113-115,192-196H,18-19,23-31,34-39,44-70,147-149H2,1-17H3,(H2,150,197)(H2,151,198)(H2,152,199)(H2,153,206)(H,160,200)(H,164,211)(H,165,210)(H,166,221)(H,167,228)(H,168,201)(H,169,229)(H,170,207)(H,171,214)(H,172,213)(H,173,212)(H,174,218)(H,175,222)(H,176,230)(H,177,231)(H,178,208)(H,179,215)(H,180,216)(H,181,217)(H,182,223)(H,183,219)(H,184,232)(H,185,233)(H,186,220)(H,187,224)(H,188,225)(H,189,209)(H,190,227)(H,191,226)(H,202,203)(H,204,205)(H4,154,155,161)(H4,156,157,162)(H4,158,159,163)/t75-,76-,77-,78-,79-,80+,84-,85-,86-,87-,88-,89-,90+,91-,92-,93+,94-,95+,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-,114-,115-/m1/s1
PubChem CID56678307
ChEMBLCHEMBL1791249
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 potency0.088 -PMID9513600ChEMBL

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