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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

NameBDBM50158975
Molecular formulaC209H345N55O61S
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)-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]propanoyl]amino]-3-naphthalen-1-ylpropanoyl]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 weight4636.44
Hydrogen bond acceptor68
Hydrogen bond donor61
XlogP-15.8
SynonymsN/A
Inchi KeyXYFYWZJOVILDAU-FLPUPMGUSA-N
Inchi IDInChI=1S/C209H345N55O61S/c1-28-108(18)163(256-185(302)133(69-77-160(280)281)243-201(318)164(109(19)29-2)257-186(303)134(78-88-326-27)241-177(294)123(56-38-42-82-213)230-178(295)124(57-44-83-223-208(219)220)234-187(304)135(89-102(6)7)247-190(307)138(92-105(12)13)250-192(309)140(95-118-51-43-50-117-49-33-34-52-119(117)118)244-171(288)115(25)228-198(315)147-59-46-86-263(147)205(322)145(94-107(16)17)254-195(312)143(98-161(282)283)253-202(319)165(110(20)30-3)258-197(314)146(101-265)255-203(320)166(111(21)31-4)259-199(316)148-60-47-87-264(148)206(323)149-61-48-85-262(149)156(273)100-225-172(289)126-65-73-155(272)229-126)200(317)242-132(68-76-159(278)279)184(301)233-121(54-36-40-80-211)175(292)238-129(64-72-152(216)269)181(298)240-131(67-75-158(276)277)183(300)232-122(55-37-41-81-212)176(293)239-130(66-74-157(274)275)182(299)231-120(53-35-39-79-210)174(291)237-128(63-71-151(215)268)180(297)236-127(62-70-150(214)267)173(290)227-113(23)169(286)226-114(24)170(287)245-141(96-153(217)270)194(311)251-142(97-154(218)271)193(310)235-125(58-45-84-224-209(221)222)179(296)246-136(90-103(8)9)188(305)248-137(91-104(10)11)189(306)249-139(93-106(14)15)191(308)252-144(99-162(284)285)196(313)261-168(116(26)266)204(321)260-167(207(324)325)112(22)32-5/h33-34,43,49-52,102-116,120-149,163-168,265-266H,28-32,35-42,44-48,53-101,210-213H2,1-27H3,(H2,214,267)(H2,215,268)(H2,216,269)(H2,217,270)(H2,218,271)(H,225,289)(H,226,286)(H,227,290)(H,228,315)(H,229,272)(H,230,295)(H,231,299)(H,232,300)(H,233,301)(H,234,304)(H,235,310)(H,236,297)(H,237,291)(H,238,292)(H,239,293)(H,240,298)(H,241,294)(H,242,317)(H,243,318)(H,244,288)(H,245,287)(H,246,296)(H,247,307)(H,248,305)(H,249,306)(H,250,309)(H,251,311)(H,252,308)(H,253,319)(H,254,312)(H,255,320)(H,256,302)(H,257,303)(H,258,314)(H,259,316)(H,260,321)(H,261,313)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,324,325)(H4,219,220,223)(H4,221,222,224)/t108-,109-,110-,111-,112-,113-,114-,115-,116+,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-,147-,148-,149-,163-,164-,165-,166-,167-,168-/m0/s1
PubChem CID91933198
ChEMBLCHEMBL410814
IUPHARN/A
BindingDB50158975
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
EC5013.0 nMPMID15634020BindingDB
EC5013.3 nMPMID15634020ChEMBL
Emax100.0 %PMID15634020ChEMBL

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