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GPCR

NameCorticotropin-releasing factor receptor 2
SpeciesMus musculus (Mouse)
GeneCrhr2
SynonymCRFR-2
CRFR2
CRFR2alpha
CRFR2beta
CRH-R-2
[ Show all ]
DiseaseN/A for non-human GPCRs
Length411
Amino acid sequenceMDAALLLSLLEANCSLALAEELLLDGWGVPPDPEGPYTYCNTTLDQIGTCWPQSAPGALVERPCPEYFNGIKYNTTRNAYRECLENGTWASRVNYSHCEPILDDKQRKYDLHYRIALIVNYLGHCVSVVALVAAFLLFLVLRSIRCLRNVIHWNLITTFILRNIAWFLLQLIDHEVHEGNEVWCRCITTIFNYFVVTNFFWMFVEGCYLHTAIVMTYSTEHLRKWLFLFIGWCIPCPIIIAWAVGKLYYENEQCWFGKEAGDLVDYIYQGPVMLVLLINFVFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDDLSQIVFIYFNSFLQSFQGFFVSVFYCFFNGEVRAALRKRWHRWQDHHALRVPVARAMSIPTSPTRISFHSIKQTAAV
UniProtQ60748
Protein Data Bank2jnd
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 2jnd.
BioLiPBL0101313
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2253
IUPHAR213
DrugBankN/A

Ligand

NameCHEMBL3775831
Molecular formulaC174H293N49O48S2
IUPAC name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoylamino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-5-[[(2S)-5-amino-1-[[1-[[(2S)-1-[[(2S)-5-amino-1-[[(11S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[1-[[(2S)-1-[[1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-2,4-dimethyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-8,8,11-trimethyl-7,10,13-trioxo-1,2-dithia-6,9,12-triazacyclohexadec-14-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2,4-dimethyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
Molecular weight3903.67
Hydrogen bond acceptor55
Hydrogen bond donor54
XlogP-4.8
SynonymsBDBM50153492
Inchi KeyDDKCUYXNAIHRQC-DCDYFVQDSA-N
Inchi IDInChI=1S/C174H293N49O48S2/c1-31-34-46-102(199-150(253)110(55-61-129(231)232)205-155(258)119(75-88(10)11)215-164(267)133(92(18)19)218-152(255)111(56-62-130(233)234)204-146(249)107(51-43-69-189-171(184)185)202-154(257)117(73-86(6)7)210-156(259)118(74-87(8)9)211-158(261)122(78-101-83-186-84-190-101)213-157(260)121(77-100-44-37-36-38-45-100)216-165(268)135(98(25)224)219-161(264)120(76-89(12)13)212-160(263)124(80-132(237)238)195-99(26)225)141(244)191-94(21)137(240)196-105(49-41-67-187-169(180)181)142(245)192-95(22)138(241)198-109(54-60-128(229)230)149(252)206-112(53-59-126(177)227)162(265)222-173(29,81-90(14)15)167(270)194-96(23)139(242)197-108(52-58-125(176)226)148(251)208-114-64-70-272-273-71-65-115(217-166(269)172(27,28)221-140(243)97(24)193-143(114)246)151(254)214-123(79-127(178)228)159(262)203-106(50-42-68-188-170(182)183)145(248)200-104(48-39-40-66-175)147(250)209-116(72-85(4)5)153(256)201-103(47-35-32-2)144(247)207-113(57-63-131(235)236)163(266)223-174(30,82-91(16)17)168(271)220-134(136(179)239)93(20)33-3/h36-38,44-45,83-98,102-124,133-135,224H,31-35,39-43,46-82,175H2,1-30H3,(H2,176,226)(H2,177,227)(H2,178,228)(H2,179,239)(H,186,190)(H,191,244)(H,192,245)(H,193,246)(H,194,270)(H,195,225)(H,196,240)(H,197,242)(H,198,241)(H,199,253)(H,200,248)(H,201,256)(H,202,257)(H,203,262)(H,204,249)(H,205,258)(H,206,252)(H,207,247)(H,208,251)(H,209,250)(H,210,259)(H,211,261)(H,212,263)(H,213,260)(H,214,254)(H,215,267)(H,216,268)(H,217,269)(H,218,255)(H,219,264)(H,220,271)(H,221,243)(H,222,265)(H,223,266)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H4,180,181,187)(H4,182,183,188)(H4,184,185,189)/t93-,94-,95-,96-,97-,98+,102?,103?,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114?,115?,116-,117-,118-,119-,120-,121+,122-,123-,124-,133-,134-,135-,173?,174?/m0/s1
PubChem CID127033837
ChEMBLCHEMBL3775831
IUPHARN/A
BindingDB50153492
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
Ki46.0 nMPMID26789203BindingDB
Ki46.18 nMPMID26789203ChEMBL

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