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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

NameCHEMBL410347
Molecular formulaC210H350N56O61S
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]-4-methylpentanoyl]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 weight4667.5
Hydrogen bond acceptor68
Hydrogen bond donor60
XlogP-16.4
SynonymsN/A
Inchi KeySCXOFLCRYIJUTG-VMMLKCRUSA-N
Inchi IDInChI=1S/C210H350N56O61S/c1-29-109(20)164(258-185(303)133(67-75-161(282)283)244-202(320)165(110(21)30-2)259-186(304)134(76-86-328-28)242-177(295)123(54-39-43-80-214)231-178(296)124(55-44-81-224-209(220)221)235-187(305)135(87-102(6)7)247-190(308)138(90-105(12)13)250-193(311)141(94-117-99-226-119-50-35-34-49-118(117)119)251-192(310)140(92-107(16)17)254-199(317)148-57-46-84-265(148)206(324)146(93-108(18)19)256-196(314)144(97-162(284)285)255-203(321)166(111(22)31-3)260-198(316)147(101-267)257-204(322)167(112(23)32-4)261-200(318)149-58-47-85-266(149)207(325)150-59-48-83-264(150)157(275)100-227-172(290)126-63-71-156(274)230-126)201(319)243-132(66-74-160(280)281)184(302)234-121(52-37-41-78-212)175(293)239-129(62-70-153(217)271)181(299)241-131(65-73-159(278)279)183(301)233-122(53-38-42-79-213)176(294)240-130(64-72-158(276)277)182(300)232-120(51-36-40-77-211)174(292)238-128(61-69-152(216)270)180(298)237-127(60-68-151(215)269)173(291)229-114(25)170(288)228-115(26)171(289)245-142(95-154(218)272)195(313)252-143(96-155(219)273)194(312)236-125(56-45-82-225-210(222)223)179(297)246-136(88-103(8)9)188(306)248-137(89-104(10)11)189(307)249-139(91-106(14)15)191(309)253-145(98-163(286)287)197(315)263-169(116(27)268)205(323)262-168(208(326)327)113(24)33-5/h34-35,49-50,99,102-116,120-150,164-169,226,267-268H,29-33,36-48,51-98,100-101,211-214H2,1-28H3,(H2,215,269)(H2,216,270)(H2,217,271)(H2,218,272)(H2,219,273)(H,227,290)(H,228,288)(H,229,291)(H,230,274)(H,231,296)(H,232,300)(H,233,301)(H,234,302)(H,235,305)(H,236,312)(H,237,298)(H,238,292)(H,239,293)(H,240,294)(H,241,299)(H,242,295)(H,243,319)(H,244,320)(H,245,289)(H,246,297)(H,247,308)(H,248,306)(H,249,307)(H,250,311)(H,251,310)(H,252,313)(H,253,309)(H,254,317)(H,255,321)(H,256,314)(H,257,322)(H,258,303)(H,259,304)(H,260,316)(H,261,318)(H,262,323)(H,263,315)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,326,327)(H4,220,221,224)(H4,222,223,225)/t109-,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-,150-,164-,165-,166-,167-,168-,169-/m0/s1
PubChem CID44388689
ChEMBLCHEMBL410347
IUPHARN/A
BindingDB50158980
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
EC5098.0 nMPMID15634020BindingDB
EC5098.4 nMPMID15634020ChEMBL
Emax100.0 %PMID15634020ChEMBL

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