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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

NameBDBM50159004
Molecular formulaC206H345N55O62S
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)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-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-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]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 weight4616.41
Hydrogen bond acceptor69
Hydrogen bond donor62
XlogP-17.7
SynonymsN/A
Inchi KeyWBBLPFKFIABCAU-ZLNZJKNVSA-N
Inchi IDInChI=1S/C206H345N55O62S/c1-28-106(18)159(252-181(299)129(67-75-156(278)279)239-197(315)160(107(19)29-2)253-182(300)130(76-86-324-27)237-173(291)119(54-39-43-80-210)226-174(292)120(55-44-81-220-205(216)217)230-183(301)131(87-100(6)7)242-186(304)134(90-103(12)13)245-188(306)136(93-115-49-34-33-35-50-115)248-200(318)164(113(25)263)258-195(313)143-57-46-84-260(143)202(320)141(92-105(16)17)250-191(309)139(96-157(280)281)249-198(316)161(108(20)30-3)254-193(311)142(99-262)251-199(317)162(109(21)31-4)255-194(312)144-58-47-85-261(144)203(321)145-59-48-83-259(145)152(271)98-222-168(286)122-63-71-151(270)225-122)196(314)238-128(66-74-155(276)277)180(298)229-117(52-37-41-78-208)171(289)234-125(62-70-148(213)267)177(295)236-127(65-73-154(274)275)179(297)228-118(53-38-42-79-209)172(290)235-126(64-72-153(272)273)178(296)227-116(51-36-40-77-207)170(288)233-124(61-69-147(212)266)176(294)232-123(60-68-146(211)265)169(287)224-111(23)166(284)223-112(24)167(285)240-137(94-149(214)268)190(308)246-138(95-150(215)269)189(307)231-121(56-45-82-221-206(218)219)175(293)241-132(88-101(8)9)184(302)243-133(89-102(10)11)185(303)244-135(91-104(14)15)187(305)247-140(97-158(282)283)192(310)257-165(114(26)264)201(319)256-163(204(322)323)110(22)32-5/h33-35,49-50,100-114,116-145,159-165,262-264H,28-32,36-48,51-99,207-210H2,1-27H3,(H2,211,265)(H2,212,266)(H2,213,267)(H2,214,268)(H2,215,269)(H,222,286)(H,223,284)(H,224,287)(H,225,270)(H,226,292)(H,227,296)(H,228,297)(H,229,298)(H,230,301)(H,231,307)(H,232,294)(H,233,288)(H,234,289)(H,235,290)(H,236,295)(H,237,291)(H,238,314)(H,239,315)(H,240,285)(H,241,293)(H,242,304)(H,243,302)(H,244,303)(H,245,306)(H,246,308)(H,247,305)(H,248,318)(H,249,316)(H,250,309)(H,251,317)(H,252,299)(H,253,300)(H,254,311)(H,255,312)(H,256,319)(H,257,310)(H,258,313)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,322,323)(H4,216,217,220)(H4,218,219,221)/t106-,107-,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-,159-,160-,161-,162-,163-,164-,165-/m0/s1
PubChem CID91933220
ChEMBLCHEMBL441929
IUPHARN/A
BindingDB50159004
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
EC5019.0 nMPMID15634020BindingDB
EC5019.2 nMPMID15634020ChEMBL
Emax87.0 %PMID15634020ChEMBL

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