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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

NameCHEMBL3774742
Molecular formulaC172H288N50O49
IUPAC name(4S)-5-[[(2S)-5-amino-1-[[1-[[(2S)-1-[[(2S)-5-amino-1-[[(6S,9S,18S)-18-[[(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-methyl-1-oxopropan-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]-3,3,6-trimethyl-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-3-carboxy-2-(propanoylamino)propanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoylamino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular weight3840.5
Hydrogen bond acceptor54
Hydrogen bond donor55
XlogP-7.7
SynonymsBDBM50153576
Inchi KeyKLHWNUDQAIIMBE-PKGMMYNESA-N
Inchi IDInChI=1S/C172H288N50O49/c1-29-33-47-98(198-149(254)108(58-65-127(231)232)205-153(258)115(76-87(11)12)214-162(267)131(89(15)16)217-150(255)109(59-66-128(233)234)204-144(249)103(53-44-72-188-169(182)183)201-152(257)113(74-85(7)8)209-154(259)114(75-86(9)10)210-156(261)118(79-97-82-184-83-189-97)212-155(260)117(78-96-45-36-35-37-46-96)215-163(268)133(95(22)223)218-159(264)116(77-88(13)14)211-158(263)120(81-130(237)238)194-124(227)32-4)139(244)190-91(18)135(240)195-101(51-42-70-186-167(178)179)140(245)191-92(19)136(241)197-107(57-64-126(229)230)148(253)206-110(55-62-122(175)225)160(265)221-170(23,24)164(269)193-93(20)137(242)196-105(54-61-121(174)224)147(252)203-106-56-63-125(228)185-69-41-39-50-104(216-165(270)171(25,26)220-138(243)94(21)192-141(106)246)146(251)213-119(80-123(176)226)157(262)202-102(52-43-71-187-168(180)181)143(248)199-100(49-38-40-68-173)145(250)208-112(73-84(5)6)151(256)200-99(48-34-30-2)142(247)207-111(60-67-129(235)236)161(266)222-172(27,28)166(271)219-132(134(177)239)90(17)31-3/h35-37,45-46,82-95,98-120,131-133,223H,29-34,38-44,47-81,173H2,1-28H3,(H2,174,224)(H2,175,225)(H2,176,226)(H2,177,239)(H,184,189)(H,185,228)(H,190,244)(H,191,245)(H,192,246)(H,193,269)(H,194,227)(H,195,240)(H,196,242)(H,197,241)(H,198,254)(H,199,248)(H,200,256)(H,201,257)(H,202,262)(H,203,252)(H,204,249)(H,205,258)(H,206,253)(H,207,247)(H,208,250)(H,209,259)(H,210,261)(H,211,263)(H,212,260)(H,213,251)(H,214,267)(H,215,268)(H,216,270)(H,217,255)(H,218,264)(H,219,271)(H,220,243)(H,221,265)(H,222,266)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,237,238)(H4,178,179,186)(H4,180,181,187)(H4,182,183,188)/t90-,91-,92-,93-,94-,95+,98?,99?,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117+,118-,119-,120-,131-,132-,133-/m0/s1
PubChem CID127031126
ChEMBLCHEMBL3774742
IUPHARN/A
BindingDB50153576
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
Ki0.32 nMPMID26789203ChEMBL
Ki0.32 nMPMID26789203BindingDB
Ki0.37 nMPMID26789203BindingDB
Ki0.37 nMPMID26789203ChEMBL

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