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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

NameCHEMBL438220
Molecular formulaC213H348N56O62S
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)-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-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)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-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid
Molecular weight4717.52
Hydrogen bond acceptor69
Hydrogen bond donor61
XlogP-16.4
SynonymsN/A
Inchi KeyHCVAKFSHSKIFAJ-DIRGZSKQSA-N
Inchi IDInChI=1S/C213H348N56O62S/c1-27-110(18)167(261-188(307)136(69-77-164(286)287)247-205(324)168(111(19)28-2)262-189(308)137(78-88-332-26)245-180(299)126(52-37-41-82-217)234-181(300)127(53-42-83-227-212(223)224)238-190(309)138(89-104(6)7)250-193(312)141(92-107(12)13)253-196(315)144(96-119-101-229-122-48-33-32-47-121(119)122)254-195(314)143(95-118-58-60-120(272)61-59-118)257-202(321)151-55-44-86-268(151)209(328)149(94-109(16)17)259-199(318)147(99-165(288)289)258-206(325)169(112(20)29-3)263-201(320)150(103-270)260-207(326)170(113(21)30-4)264-203(322)152-56-45-87-269(152)210(329)153-57-46-85-267(153)160(279)102-230-175(294)129-65-73-159(278)233-129)204(323)246-135(68-76-163(284)285)187(306)237-124(50-35-39-80-215)178(297)242-132(64-72-156(220)275)184(303)244-134(67-75-162(282)283)186(305)236-125(51-36-40-81-216)179(298)243-133(66-74-161(280)281)185(304)235-123(49-34-38-79-214)177(296)241-131(63-71-155(219)274)183(302)240-130(62-70-154(218)273)176(295)232-115(23)173(292)231-116(24)174(293)248-145(97-157(221)276)198(317)255-146(98-158(222)277)197(316)239-128(54-43-84-228-213(225)226)182(301)249-139(90-105(8)9)191(310)251-140(91-106(10)11)192(311)252-142(93-108(14)15)194(313)256-148(100-166(290)291)200(319)266-172(117(25)271)208(327)265-171(211(330)331)114(22)31-5/h32-33,47-48,58-61,101,104-117,123-153,167-172,229,270-272H,27-31,34-46,49-57,62-100,102-103,214-217H2,1-26H3,(H2,218,273)(H2,219,274)(H2,220,275)(H2,221,276)(H2,222,277)(H,230,294)(H,231,292)(H,232,295)(H,233,278)(H,234,300)(H,235,304)(H,236,305)(H,237,306)(H,238,309)(H,239,316)(H,240,302)(H,241,296)(H,242,297)(H,243,298)(H,244,303)(H,245,299)(H,246,323)(H,247,324)(H,248,293)(H,249,301)(H,250,312)(H,251,310)(H,252,311)(H,253,315)(H,254,314)(H,255,317)(H,256,313)(H,257,321)(H,258,325)(H,259,318)(H,260,326)(H,261,307)(H,262,308)(H,263,320)(H,264,322)(H,265,327)(H,266,319)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,330,331)(H4,223,224,227)(H4,225,226,228)/t110-,111-,112-,113-,114-,115-,116-,117+,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,167-,168-,169-,170-,171-,172-/m0/s1
PubChem CID44388682
ChEMBLCHEMBL438220
IUPHARN/A
BindingDB50158963
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
EC504.0 nMPMID15634020BindingDB,ChEMBL
Emax100.0 %PMID15634020ChEMBL

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