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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

NameBDBM50159003
Molecular formulaC203H347N55O62S
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]-4-methylpentanoyl]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 weight4582.39
Hydrogen bond acceptor69
Hydrogen bond donor62
XlogP-17.9
SynonymsN/A
Inchi KeyGNMUGJYMKZSQFD-KAZAOXHHSA-N
Inchi IDInChI=1S/C203H347N55O62S/c1-30-104(20)156(249-178(296)126(64-72-153(275)276)236-194(312)157(105(21)31-2)250-179(297)127(73-83-321-29)234-170(288)116(51-38-42-77-207)223-171(289)117(52-43-78-217-202(213)214)227-180(298)128(84-97(6)7)239-182(300)131(87-100(12)13)242-185(303)133(89-102(16)17)245-197(315)161(111(27)260)255-192(310)140-54-45-81-257(140)199(317)138(90-103(18)19)247-188(306)136(93-154(277)278)246-195(313)158(106(22)32-3)251-190(308)139(96-259)248-196(314)159(107(23)33-4)252-191(309)141-55-46-82-258(141)200(318)142-56-47-80-256(142)149(268)95-219-165(283)119-60-68-148(267)222-119)193(311)235-125(63-71-152(273)274)177(295)226-114(49-36-40-75-205)168(286)231-122(59-67-145(210)264)174(292)233-124(62-70-151(271)272)176(294)225-115(50-37-41-76-206)169(287)232-123(61-69-150(269)270)175(293)224-113(48-35-39-74-204)167(285)230-121(58-66-144(209)263)173(291)229-120(57-65-143(208)262)166(284)221-109(25)163(281)220-110(26)164(282)237-134(91-146(211)265)187(305)243-135(92-147(212)266)186(304)228-118(53-44-79-218-203(215)216)172(290)238-129(85-98(8)9)181(299)240-130(86-99(10)11)183(301)241-132(88-101(14)15)184(302)244-137(94-155(279)280)189(307)254-162(112(28)261)198(316)253-160(201(319)320)108(24)34-5/h97-142,156-162,259-261H,30-96,204-207H2,1-29H3,(H2,208,262)(H2,209,263)(H2,210,264)(H2,211,265)(H2,212,266)(H,219,283)(H,220,281)(H,221,284)(H,222,267)(H,223,289)(H,224,293)(H,225,294)(H,226,295)(H,227,298)(H,228,304)(H,229,291)(H,230,285)(H,231,286)(H,232,287)(H,233,292)(H,234,288)(H,235,311)(H,236,312)(H,237,282)(H,238,290)(H,239,300)(H,240,299)(H,241,301)(H,242,303)(H,243,305)(H,244,302)(H,245,315)(H,246,313)(H,247,306)(H,248,314)(H,249,296)(H,250,297)(H,251,308)(H,252,309)(H,253,316)(H,254,307)(H,255,310)(H,269,270)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,319,320)(H4,213,214,217)(H4,215,216,218)/t104-,105-,106-,107-,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-,135-,136-,137-,138-,139-,140-,141-,142-,156-,157-,158-,159-,160-,161-,162-/m0/s1
PubChem CID91933219
ChEMBLCHEMBL409626
IUPHARN/A
BindingDB50159003
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
EC5020.6 nMPMID15634020ChEMBL
EC5021.0 nMPMID15634020BindingDB
Emax100.0 %PMID15634020ChEMBL

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