Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

You can:

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

NameCHEMBL265915
Molecular formulaC149H243N43O42S
IUPAC name(3R)-3-[[(2S,5R,8R,17S)-17-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-2,5-bis(2-methylpropyl)-3,6,14,18-tetraoxo-1,4,7,13-tetrazacyclooctadecane-8-carbonyl]amino]-4-[[(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]-4-oxobutanoic acid
Molecular weight3340.9
Hydrogen bond acceptor48
Hydrogen bond donor48
XlogP-12.1
SynonymsYADAIFTNSYRKVLGQLSAR Cyclo (ELLK) DIMSR
Inchi KeyKQOJLMKKFKBUHB-NXLXVWGASA-N
Inchi IDInChI=1S/C149H243N43O42S/c1-20-77(13)116(190-122(210)81(17)167-132(220)104(66-113(203)204)177-121(209)79(15)166-123(211)88(151)62-84-39-43-86(197)44-40-84)145(233)184-102(63-83-32-23-22-24-33-83)138(226)192-118(82(18)196)146(234)185-103(65-110(153)200)137(225)188-108(71-195)142(230)181-101(64-85-41-45-87(198)46-42-85)136(224)174-93(38-31-56-164-149(159)160)126(214)172-91(34-25-27-52-150)131(219)189-115(76(11)12)143(231)183-97(58-72(3)4)124(212)165-68-112(202)169-94(47-49-109(152)199)128(216)178-100(61-75(9)10)135(223)187-106(69-193)140(228)168-80(16)120(208)171-92(37-30-55-163-148(157)158)125(213)175-95-48-50-111(201)161-53-28-26-35-90(173-133(221)98(59-73(5)6)180-134(222)99(60-74(7)8)179-129(95)217)127(215)182-105(67-114(205)206)139(227)191-117(78(14)21-2)144(232)176-96(51-57-235-19)130(218)186-107(70-194)141(229)170-89(119(154)207)36-29-54-162-147(155)156/h22-24,32-33,39-46,72-82,88-108,115-118,193-198H,20-21,25-31,34-38,47-71,150-151H2,1-19H3,(H2,152,199)(H2,153,200)(H2,154,207)(H,161,201)(H,165,212)(H,166,211)(H,167,220)(H,168,228)(H,169,202)(H,170,229)(H,171,208)(H,172,214)(H,173,221)(H,174,224)(H,175,213)(H,176,232)(H,177,209)(H,178,216)(H,179,217)(H,180,222)(H,181,230)(H,182,215)(H,183,231)(H,184,233)(H,185,234)(H,186,218)(H,187,223)(H,188,225)(H,189,219)(H,190,210)(H,191,227)(H,192,226)(H,203,204)(H,205,206)(H4,155,156,162)(H4,157,158,163)(H4,159,160,164)/t77-,78+,79-,80-,81-,82+,88-,89+,90+,91-,92-,93-,94-,95-,96+,97-,98+,99-,100-,101-,102-,103-,104-,105+,106-,107+,108-,115-,116-,117+,118-/m0/s1
PubChem CID44376031
ChEMBLCHEMBL265915
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 potency4.5 -PMID9513600ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417