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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

NameCHEMBL414568
Molecular formulaC208H346N56O62S
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,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]-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 weight4655.45
Hydrogen bond acceptor69
Hydrogen bond donor61
XlogP-18.3
SynonymsN/A
Inchi KeyVYEQZGMQVJGJCU-LWRNIGAVSA-N
Inchi IDInChI=1S/C208H346N56O62S/c1-28-106(18)161(255-183(302)131(66-74-158(281)282)242-199(318)162(107(19)29-2)256-184(303)132(75-85-327-27)240-175(294)121(53-38-42-79-212)229-176(295)122(54-43-80-222-207(218)219)233-185(304)133(86-100(6)7)245-188(307)136(89-103(12)13)248-190(309)138(92-115-97-224-117-49-34-33-48-116(115)117)251-202(321)166(113(25)266)261-197(316)145-56-45-83-263(145)204(323)143(91-105(16)17)253-193(312)141(95-159(283)284)252-200(319)163(108(20)30-3)257-195(314)144(99-265)254-201(320)164(109(21)31-4)258-196(315)146-57-46-84-264(146)205(324)147-58-47-82-262(147)154(274)98-225-170(289)124-62-70-153(273)228-124)198(317)241-130(65-73-157(279)280)182(301)232-119(51-36-40-77-210)173(292)237-127(61-69-150(215)270)179(298)239-129(64-72-156(277)278)181(300)231-120(52-37-41-78-211)174(293)238-128(63-71-155(275)276)180(299)230-118(50-35-39-76-209)172(291)236-126(60-68-149(214)269)178(297)235-125(59-67-148(213)268)171(290)227-111(23)168(287)226-112(24)169(288)243-139(93-151(216)271)192(311)249-140(94-152(217)272)191(310)234-123(55-44-81-223-208(220)221)177(296)244-134(87-101(8)9)186(305)246-135(88-102(10)11)187(306)247-137(90-104(14)15)189(308)250-142(96-160(285)286)194(313)260-167(114(26)267)203(322)259-165(206(325)326)110(22)32-5/h33-34,48-49,97,100-114,118-147,161-167,224,265-267H,28-32,35-47,50-96,98-99,209-212H2,1-27H3,(H2,213,268)(H2,214,269)(H2,215,270)(H2,216,271)(H2,217,272)(H,225,289)(H,226,287)(H,227,290)(H,228,273)(H,229,295)(H,230,299)(H,231,300)(H,232,301)(H,233,304)(H,234,310)(H,235,297)(H,236,291)(H,237,292)(H,238,293)(H,239,298)(H,240,294)(H,241,317)(H,242,318)(H,243,288)(H,244,296)(H,245,307)(H,246,305)(H,247,306)(H,248,309)(H,249,311)(H,250,308)(H,251,321)(H,252,319)(H,253,312)(H,254,320)(H,255,302)(H,256,303)(H,257,314)(H,258,315)(H,259,322)(H,260,313)(H,261,316)(H,275,276)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,325,326)(H4,218,219,222)(H4,220,221,223)/t106-,107-,108-,109-,110-,111-,112-,113+,114+,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 CID44388722
ChEMBLCHEMBL414568
IUPHARN/A
BindingDB50158955
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
EC50<1000.0 nMPMID15634020BindingDB,ChEMBL
Emax43.0 %PMID15634020ChEMBL

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