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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 44388711
Molecular formulaC208H349N55O62S
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]-4-methylpentanoyl]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 weight4644.46
Hydrogen bond acceptor69
Hydrogen bond donor60
XlogP-16.8
SynonymsN/A
Inchi KeyHDYYWUUHTPVVEU-AJBJNSAWSA-N
Inchi IDInChI=1S/C208H349N55O62S/c1-29-108(20)162(255-183(301)131(67-75-159(280)281)241-200(318)163(109(21)30-2)256-184(302)132(76-86-326-28)239-175(293)121(50-37-41-80-212)228-176(294)122(51-42-81-222-207(218)219)232-185(303)133(87-101(6)7)244-187(305)135(89-103(10)11)246-189(307)137(91-105(14)15)248-191(309)139(94-116-56-58-117(266)59-57-116)251-197(315)146-53-44-84-262(146)204(322)144(93-107(18)19)253-194(312)142(97-160(282)283)252-201(319)164(110(22)31-3)257-196(314)145(100-264)254-202(320)165(111(23)32-4)258-198(316)147-54-45-85-263(147)205(323)148-55-46-83-261(148)155(273)99-224-170(288)124-63-71-154(272)227-124)199(317)240-130(66-74-158(278)279)182(300)231-119(48-35-39-78-210)173(291)236-127(62-70-151(215)269)179(297)238-129(65-73-157(276)277)181(299)230-120(49-36-40-79-211)174(292)237-128(64-72-156(274)275)180(298)229-118(47-34-38-77-209)172(290)235-126(61-69-150(214)268)178(296)234-125(60-68-149(213)267)171(289)226-113(25)168(286)225-114(26)169(287)242-140(95-152(216)270)193(311)249-141(96-153(217)271)192(310)233-123(52-43-82-223-208(220)221)177(295)243-134(88-102(8)9)186(304)245-136(90-104(12)13)188(306)247-138(92-106(16)17)190(308)250-143(98-161(284)285)195(313)260-167(115(27)265)203(321)259-166(206(324)325)112(24)33-5/h56-59,101-115,118-148,162-167,264-266H,29-55,60-100,209-212H2,1-28H3,(H2,213,267)(H2,214,268)(H2,215,269)(H2,216,270)(H2,217,271)(H,224,288)(H,225,286)(H,226,289)(H,227,272)(H,228,294)(H,229,298)(H,230,299)(H,231,300)(H,232,303)(H,233,310)(H,234,296)(H,235,290)(H,236,291)(H,237,292)(H,238,297)(H,239,293)(H,240,317)(H,241,318)(H,242,287)(H,243,295)(H,244,305)(H,245,304)(H,246,307)(H,247,306)(H,248,309)(H,249,311)(H,250,308)(H,251,315)(H,252,319)(H,253,312)(H,254,320)(H,255,301)(H,256,302)(H,257,314)(H,258,316)(H,259,321)(H,260,313)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,324,325)(H4,218,219,222)(H4,220,221,223)/t108-,109-,110-,111-,112-,113-,114-,115+,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-,148-,162-,163-,164-,165-,166-,167-/m0/s1
PubChem CID44388711
ChEMBLCHEMBL438939
IUPHARN/A
BindingDB50158977
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
EC5076.0 nMPMID15634020BindingDB
EC5076.2 nMPMID15634020ChEMBL
Emax86.0 %PMID15634020ChEMBL

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