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GPCR

NameCorticotropin-releasing factor receptor 2
SpeciesHomo sapiens (Human)
GeneCRHR2
SynonymCRH-R2
CRH-R-2
CRFR2beta
CRFR2alpha
CRFR2
[ Show all ]
DiseaseGeneralized anxiety disorder
Anxiety disorder
Congestive heart failure
Eating disorders stimulate food consumption anxiety
Length411
Amino acid sequenceMDAALLHSLLEANCSLALAEELLLDGWGPPLDPEGPYSYCNTTLDQIGTCWPRSAAGALVERPCPEYFNGVKYNTTRNAYRECLENGTWASKINYSQCEPILDDKQRKYDLHYRIALVVNYLGHCVSVAALVAAFLLFLALRSIRCLRNVIHWNLITTFILRNVMWFLLQLVDHEVHESNEVWCRCITTIFNYFVVTNFFWMFVEGCYLHTAIVMTYSTERLRKCLFLFIGWCIPFPIIVAWAIGKLYYENEQCWFGKEPGDLVDYIYQGPIILVLLINFVFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDDLSQIMFIYFNSFLQSFQGFFVSVFYCFFNGEVRSAVRKRWHRWQDHHSLRVPMARAMSIPTSPTRISFHSIKQTAAV
UniProtQ13324
Protein Data BankN/A
GPCR-HGmod modelQ13324
3D structure modelThis predicted structure model is from GPCR-EXP Q13324.
BioLiPN/A
Therapeutic Target DatabaseT11011
ChEMBLCHEMBL4069
IUPHAR213
DrugBankN/A

Ligand

NameCHEMBL2370926
Molecular formulaC185H310N48O56
IUPAC name(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-acetamido-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-2,4-dimethyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]amino]-5-amino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-2,4-dimethylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
Molecular weight4102.79
Hydrogen bond acceptor62
Hydrogen bond donor55
XlogP-15.3
SynonymsBDBM50026983
Inchi KeyYGNGEGCKRCSDIV-WSEXGSIRSA-N
Inchi IDInChI=1S/C185H310N48O56/c1-27-31-48-108(204-153(260)109(49-35-40-71-186)205-157(264)114(54-45-76-199-183(195)196)210-171(278)127(81-97(13)14)228-181(288)184(25,88-98(15)16)232-177(284)129(83-107-90-197-92-200-107)223-172(279)128(82-106-46-33-32-34-47-106)222-176(283)134(91-234)227-170(277)126(80-96(11)12)221-175(282)132(86-145(253)254)202-105(24)236)165(272)229-148(101(20)29-3)180(287)217-122(62-70-144(251)252)166(273)230-149(102(21)30-4)179(286)216-121(61-69-143(249)250)163(270)208-110(50-36-41-72-187)154(261)211-116(56-64-136(191)238)159(266)215-119(59-67-141(245)246)161(268)207-111(51-37-42-73-188)155(262)213-118(58-66-140(243)244)160(267)206-112(52-38-43-74-189)156(263)214-120(60-68-142(247)248)162(269)212-117(57-65-139(241)242)152(259)201-103(22)151(258)203-115(55-63-135(190)237)164(271)224-131(85-138(193)240)174(281)225-130(84-137(192)239)173(280)209-113(53-39-44-75-198-104(23)235)158(265)218-123(77-93(5)6)167(274)219-124(78-94(7)8)168(275)220-125(79-95(9)10)169(276)226-133(87-146(255)256)178(285)233-185(26,89-99(17)18)182(289)231-147(150(194)257)100(19)28-2/h32-34,46-47,90,92-103,108-134,147-149,234H,27-31,35-45,48-89,91,186-189H2,1-26H3,(H2,190,237)(H2,191,238)(H2,192,239)(H2,193,240)(H2,194,257)(H,197,200)(H,198,235)(H,201,259)(H,202,236)(H,203,258)(H,204,260)(H,205,264)(H,206,267)(H,207,268)(H,208,270)(H,209,280)(H,210,278)(H,211,261)(H,212,269)(H,213,262)(H,214,263)(H,215,266)(H,216,286)(H,217,287)(H,218,265)(H,219,274)(H,220,275)(H,221,282)(H,222,283)(H,223,279)(H,224,271)(H,225,281)(H,226,276)(H,227,277)(H,228,288)(H,229,272)(H,230,273)(H,231,289)(H,232,284)(H,233,285)(H,241,242)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H4,195,196,199)/t100-,101-,102-,103-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128+,129-,130-,131-,132-,133-,134-,147-,148-,149-,184-,185-/m0/s1
PubChem CID73356172
ChEMBLCHEMBL2370926
IUPHARN/A
BindingDB50026983
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
IC500.6 nMPMID12361401ChEMBL
IC500.6 nMPMID12361401BindingDB

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