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

NameCHEMBL2371358
Molecular formulaC153H251N45O42S
IUPAC name(3S)-4-[[(3S,6S,10S,18S)-18-[[(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-[[(2R)-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]amino]-1,4-dioxobutan-2-yl]carbamoyl]-3-benzyl-6-[(2S)-butan-2-yl]-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-10-yl]amino]-3-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Molecular weight3425.02
Hydrogen bond acceptor49
Hydrogen bond donor49
XlogP-13.3
SynonymsN/A
Inchi KeyLZIPUKBITCCRGP-CRCJWJTCSA-N
Inchi IDInChI=1S/C153H251N45O42S/c1-18-81(13)122-149(239)192-106(65-85-32-21-20-22-33-85)142(232)180-94(36-25-28-55-167-116(207)67-88(68-117(208)196-122)174-137(227)108(70-119(210)211)184-126(216)83(15)172-127(217)91(156)64-86-40-44-89(202)45-41-86)132(222)189-107(69-115(159)206)143(233)195-112(75-201)147(237)188-105(66-87-42-46-90(203)47-43-87)141(231)181-97(39-31-58-170-153(165)166)130(220)179-95(35-24-27-54-155)136(226)197-121(80(11)12)148(238)191-101(60-76(3)4)128(218)171-72-118(209)175-98(48-50-113(157)204)133(223)186-104(63-79(9)10)140(230)194-110(73-199)145(235)173-84(16)125(215)177-96(38-30-57-169-152(163)164)129(219)178-93(34-23-26-53-154)131(221)185-103(62-78(7)8)139(229)187-102(61-77(5)6)138(228)182-99(49-51-114(158)205)134(224)190-109(71-120(212)213)144(234)198-123(82(14)19-2)150(240)183-100(52-59-241-17)135(225)193-111(74-200)146(236)176-92(124(160)214)37-29-56-168-151(161)162/h20-22,32-33,40-47,76-84,88,91-112,121-123,199-203H,18-19,23-31,34-39,48-75,154-156H2,1-17H3,(H2,157,204)(H2,158,205)(H2,159,206)(H2,160,214)(H,167,207)(H,171,218)(H,172,217)(H,173,235)(H,174,227)(H,175,209)(H,176,236)(H,177,215)(H,178,219)(H,179,220)(H,180,232)(H,181,231)(H,182,228)(H,183,240)(H,184,216)(H,185,221)(H,186,223)(H,187,229)(H,188,237)(H,189,222)(H,190,224)(H,191,238)(H,192,239)(H,193,225)(H,194,230)(H,195,233)(H,196,208)(H,197,226)(H,198,234)(H,210,211)(H,212,213)(H4,161,162,168)(H4,163,164,169)(H4,165,166,170)/t81-,82-,83-,84-,88-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-/m0/s1
PubChem CID73350162
ChEMBLCHEMBL2371358
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 potency4.8 -PMID9513600ChEMBL

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