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GPCR

NameCorticotropin-releasing factor receptor 1
SpeciesMus musculus (Mouse)
GeneCrhr1
SynonymCRH-R1
CRH-R-1
CRFR1
CRFR-1
CRF1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length415
Amino acid sequenceMGQRPQLRLVKALLLLGLNPVSTSLQDQQCESLSLASNVSGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHIAVIINYLGHCISLVALLVAFVLFLRLRSIRCLRNIIHWNLISAFILRNATWFVVQLTVSPEVHQSNVAWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFVCIGWGVPFPIIVAWAIGKLYYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWRRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProtP35347
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2446
IUPHARN/A
DrugBankN/A

Ligand

NameCID 44388623
Molecular formulaC208H349N55O61S
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,3S)-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-methylpentanoyl]amino]-3-phenylpropanoyl]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 weight4628.46
Hydrogen bond acceptor68
Hydrogen bond donor59
XlogP-16.5
SynonymsN/A
Inchi KeyJSSOLVOKHKWQCP-STVNXBCTSA-N
Inchi IDInChI=1S/C208H349N55O61S/c1-29-108(19)161(254-183(300)131(69-77-158(279)280)241-199(316)162(109(20)30-2)255-184(301)132(78-88-325-28)239-175(292)121(56-41-45-82-212)228-176(293)122(57-46-83-222-207(218)219)232-185(302)133(89-102(7)8)244-188(305)136(92-105(13)14)247-190(307)138(95-117-51-36-35-37-52-117)250-201(318)164(111(22)32-4)257-196(313)145-59-48-86-262(145)204(321)143(94-107(17)18)252-193(310)141(98-159(281)282)251-200(317)163(110(21)31-3)256-195(312)144(101-264)253-202(319)165(112(23)33-5)258-197(314)146-60-49-87-263(146)205(322)147-61-50-85-261(147)154(272)100-224-170(287)124-65-73-153(271)227-124)198(315)240-130(68-76-157(277)278)182(299)231-119(54-39-43-80-210)173(290)236-127(64-72-150(215)268)179(296)238-129(67-75-156(275)276)181(298)230-120(55-40-44-81-211)174(291)237-128(66-74-155(273)274)180(297)229-118(53-38-42-79-209)172(289)235-126(63-71-149(214)267)178(295)234-125(62-70-148(213)266)171(288)226-114(25)168(285)225-115(26)169(286)242-139(96-151(216)269)192(309)248-140(97-152(217)270)191(308)233-123(58-47-84-223-208(220)221)177(294)243-134(90-103(9)10)186(303)245-135(91-104(11)12)187(304)246-137(93-106(15)16)189(306)249-142(99-160(283)284)194(311)260-167(116(27)265)203(320)259-166(206(323)324)113(24)34-6/h35-37,51-52,102-116,118-147,161-167,264-265H,29-34,38-50,53-101,209-212H2,1-28H3,(H2,213,266)(H2,214,267)(H2,215,268)(H2,216,269)(H2,217,270)(H,224,287)(H,225,285)(H,226,288)(H,227,271)(H,228,293)(H,229,297)(H,230,298)(H,231,299)(H,232,302)(H,233,308)(H,234,295)(H,235,289)(H,236,290)(H,237,291)(H,238,296)(H,239,292)(H,240,315)(H,241,316)(H,242,286)(H,243,294)(H,244,305)(H,245,303)(H,246,304)(H,247,307)(H,248,309)(H,249,306)(H,250,318)(H,251,317)(H,252,310)(H,253,319)(H,254,300)(H,255,301)(H,256,312)(H,257,313)(H,258,314)(H,259,320)(H,260,311)(H,273,274)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,323,324)(H4,218,219,222)(H4,220,221,223)/t108-,109-,110-,111-,112-,113-,114-,115-,116+,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-,147-,161-,162-,163-,164-,165-,166-,167-/m0/s1
PubChem CID44388623
ChEMBLCHEMBL439102
IUPHARN/A
BindingDB50158958
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
EC50756.0 nMPMID15634020BindingDB,ChEMBL
Emax83.0 %PMID15634020ChEMBL

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