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GPCR

NameRelaxin-3 receptor 1
SpeciesHomo sapiens (Human)
GeneRXFP3
SynonymGPCR135
RXFPR3
RXFP3
RLN3R1
RLN3 receptor 1
[ Show all ]
DiseaseN/A
Length469
Amino acid sequenceMQMADAATIATMNKAAGGDKLAELFSLVPDLLEAANTSGNASLQLPDLWWELGLELPDGAPPGHPPGSGGAESADTEARVRILISVVYWVVCALGLAGNLLVLYLMKSMQGWRKSSINLFVTNLALTDFQFVLTLPFWAVENALDFKWPFGKAMCKIVSMVTSMNMYASVFFLTAMSVTRYHSVASALKSHRTRGHGRGDCCGRSLGDSCCFSAKALCVWIWALAALASLPSAIFSTTVKVMGEELCLVRFPDKLLGRDRQFWLGLYHSQKVLLGFVLPLGIIILCYLLLVRFIADRRAAGTKGGAAVAGGRPTGASARRLSKVTKSVTIVVLSFFLCWLPNQALTTWSILIKFNAVPFSQEYFLCQVYAFPVSVCLAHSNSCLNPVLYCLVRREFRKALKSLLWRIASPSITSMRPFTATTKPEHEDQGLQAPAPPHAAAEPDLLYYPPGVVVYSGGRYDLLPSSSAY
UniProtQ9NSD7
Protein Data BankN/A
GPCR-HGmod modelQ9NSD7
3D structure modelThis predicted structure model is from GPCR-EXP Q9NSD7.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL1628472
IUPHAR353
DrugBankN/A

Ligand

NameCID 70692144
Molecular formulaC139H220N44O35
IUPAC name(4S)-5-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[2-[[2-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid
Molecular weight3067.56
Hydrogen bond acceptor42
Hydrogen bond donor50
XlogP-9.8
SynonymsN/A
Inchi KeyUWSQLHRGKDYGIF-DMJOTEDISA-N
Inchi IDInChI=1S/C139H220N44O35/c1-14-74(9)109(130(213)170-90(42-29-55-155-138(148)149)118(201)166-88(39-24-25-51-140)122(205)179-108(73(7)8)129(212)181-110(75(10)15-2)131(214)174-96(60-80-34-20-17-21-35-80)125(208)182-111(78(13)187)132(215)177-99(69-185)116(199)159-64-102(189)158-65-103(190)165-100(70-186)126(209)167-89(41-28-54-154-137(146)147)120(203)175-97(134(217)218)62-82-63-157-86-38-23-22-36-84(82)86)180-124(207)95(59-79-32-18-16-19-33-79)172-121(204)92(49-50-106(193)194)168-117(200)87(40-27-53-153-136(144)145)164-104(191)66-161-115(198)98(68-184)176-123(206)93(58-71(3)4)171-119(202)91(43-30-56-156-139(150)151)169-128(211)107(72(5)6)178-105(192)67-160-114(197)94(61-81-45-47-83(188)48-46-81)173-127(210)101-44-31-57-183(101)133(216)77(12)163-112(195)76(11)162-113(196)85(141)37-26-52-152-135(142)143/h16-23,32-36,38,45-48,63,71-78,85,87-101,107-111,157,184-188H,14-15,24-31,37,39-44,49-62,64-70,140-141H2,1-13H3,(H,158,189)(H,159,199)(H,160,197)(H,161,198)(H,162,196)(H,163,195)(H,164,191)(H,165,190)(H,166,201)(H,167,209)(H,168,200)(H,169,211)(H,170,213)(H,171,202)(H,172,204)(H,173,210)(H,174,214)(H,175,203)(H,176,206)(H,177,215)(H,178,192)(H,179,205)(H,180,207)(H,181,212)(H,182,208)(H,193,194)(H,217,218)(H4,142,143,152)(H4,144,145,153)(H4,146,147,154)(H4,148,149,155)(H4,150,151,156)/t74-,75-,76-,77-,78+,85-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,107-,108-,109-,110-,111-/m0/s1
PubChem CID70692144
ChEMBLCHEMBL2030695
IUPHARN/A
BindingDB50382997
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
Ki<10000.0 nMPMID22257012BindingDB,ChEMBL

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