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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

NameBDBM50158965
Molecular formulaC207H346N56O62S
IUPAC name(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S,3S)-2-[[(2S)-3-hydroxy-2-[[(2S,3S)-3-methyl-2-[[(2S)-1-[(2S)-1-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid
Molecular weight4643.44
Hydrogen bond acceptor69
Hydrogen bond donor62
XlogP-18.2
SynonymsN/A
Inchi KeyFHXYIGRLAIUISJ-IUCXCJLBSA-N
Inchi IDInChI=1S/C207H346N56O62S/c1-27-107(18)161(255-183(302)130(67-76-158(280)281)242-199(318)162(108(19)28-2)256-184(303)131(77-87-326-26)240-174(293)119(53-38-42-81-211)228-175(294)120(54-43-82-222-206(218)219)232-185(304)132(88-101(6)7)246-187(306)134(90-103(10)11)245-182(301)126(62-71-150(215)269)239-190(309)137(94-115-48-33-32-34-49-115)251-196(315)144-56-45-85-262(144)203(322)142(93-106(16)17)253-193(312)140(97-159(282)283)252-200(319)163(109(20)29-3)257-195(314)143(100-264)254-201(320)164(110(21)30-4)258-197(316)145-57-46-86-263(145)204(323)146-58-47-84-261(146)154(273)99-224-169(288)122-63-72-153(272)227-122)198(317)241-129(66-75-157(278)279)181(300)231-117(51-36-40-79-209)172(291)236-125(61-70-149(214)268)178(297)238-128(65-74-156(276)277)180(299)230-118(52-37-41-80-210)173(292)237-127(64-73-155(274)275)179(298)229-116(50-35-39-78-208)171(290)235-124(60-69-148(213)267)177(296)234-123(59-68-147(212)266)170(289)226-112(23)167(286)225-113(24)168(287)243-138(95-151(216)270)192(311)249-139(96-152(217)271)191(310)233-121(55-44-83-223-207(220)221)176(295)244-133(89-102(8)9)186(305)247-135(91-104(12)13)188(307)248-136(92-105(14)15)189(308)250-141(98-160(284)285)194(313)260-166(114(25)265)202(321)259-165(205(324)325)111(22)31-5/h32-34,48-49,101-114,116-146,161-166,264-265H,27-31,35-47,50-100,208-211H2,1-26H3,(H2,212,266)(H2,213,267)(H2,214,268)(H2,215,269)(H2,216,270)(H2,217,271)(H,224,288)(H,225,286)(H,226,289)(H,227,272)(H,228,294)(H,229,298)(H,230,299)(H,231,300)(H,232,304)(H,233,310)(H,234,296)(H,235,290)(H,236,291)(H,237,292)(H,238,297)(H,239,309)(H,240,293)(H,241,317)(H,242,318)(H,243,287)(H,244,295)(H,245,301)(H,246,306)(H,247,305)(H,248,307)(H,249,311)(H,250,308)(H,251,315)(H,252,319)(H,253,312)(H,254,320)(H,255,302)(H,256,303)(H,257,314)(H,258,316)(H,259,321)(H,260,313)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,324,325)(H4,218,219,222)(H4,220,221,223)/t107-,108-,109-,110-,111-,112-,113-,114+,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,161-,162-,163-,164-,165-,166-/m0/s1
PubChem CID91933189
ChEMBLCHEMBL437089
IUPHARN/A
BindingDB50158965
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
EC501.8 nMPMID15634020BindingDB,ChEMBL
Emax100.0 %PMID15634020ChEMBL

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