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 DMFold 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

NameCHEMBL1791223
Molecular formulaC148H240N42O43S
IUPAC name(3R)-4-[[(2R)-1-[[(2R,3R)-1-[[(2R)-1-[[(2R,3S)-1-[[(2R)-4-amino-1-[[(2R)-1-[[(2R)-1-[[(3S,6R,9R,18S)-18-[[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]carbamoyl]-6-(4-aminobutyl)-2,5,8,12-tetraoxo-3-propan-2-yl-1,4,7,13-tetrazacyclooctadec-9-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-[[(2R)-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight3327.86
Hydrogen bond acceptor49
Hydrogen bond donor48
XlogP-13.7
SynonymsN/A
Inchi KeyMLRZREMHLDKBML-JWXKNWSISA-N
Inchi IDInChI=1S/C148H240N42O43S/c1-18-76(11)116(188-122(209)80(15)165-132(219)103(66-113(202)203)176-121(208)78(13)164-123(210)87(151)62-83-38-42-85(195)43-39-83)145(232)182-101(63-82-31-21-20-22-32-82)138(225)190-118(81(16)194)146(233)183-102(65-110(154)199)137(224)186-107(71-193)142(229)180-100(64-84-40-44-86(196)45-41-84)136(223)173-95-48-51-111(200)160-55-28-25-35-89(174-143(230)115(75(9)10)187-131(218)91(171-128(95)215)34-24-27-54-150)124(211)163-68-112(201)167-93(46-49-108(152)197)127(214)178-99(61-74(7)8)135(222)185-105(69-191)140(227)166-79(14)120(207)169-92(37-30-57-162-148(158)159)125(212)170-90(33-23-26-53-149)126(213)177-98(60-73(5)6)134(221)179-97(59-72(3)4)133(220)172-94(47-50-109(153)198)129(216)181-104(67-114(204)205)139(226)189-117(77(12)19-2)144(231)175-96(52-58-234-17)130(217)184-106(70-192)141(228)168-88(119(155)206)36-29-56-161-147(156)157/h20-22,31-32,38-45,72-81,87-107,115-118,191-196H,18-19,23-30,33-37,46-71,149-151H2,1-17H3,(H2,152,197)(H2,153,198)(H2,154,199)(H2,155,206)(H,160,200)(H,163,211)(H,164,210)(H,165,219)(H,166,227)(H,167,201)(H,168,228)(H,169,207)(H,170,212)(H,171,215)(H,172,220)(H,173,223)(H,174,230)(H,175,231)(H,176,208)(H,177,213)(H,178,214)(H,179,221)(H,180,229)(H,181,216)(H,182,232)(H,183,233)(H,184,217)(H,185,222)(H,186,224)(H,187,218)(H,188,209)(H,189,226)(H,190,225)(H,202,203)(H,204,205)(H4,156,157,161)(H4,158,159,162)/t76-,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-,115+,116-,117+,118-/m1/s1
PubChem CID56664662
ChEMBLCHEMBL1791223
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 potency0.0 -PMID9513600ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218