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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

NameBDBM50158968
Molecular formulaC211H348N56O62S
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)-5-amino-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]-5-oxopentanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]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 weight4693.5
Hydrogen bond acceptor69
Hydrogen bond donor62
XlogP-17.0
SynonymsN/A
Inchi KeyLCRGUJBKGXRAIZ-KBOCYOPLSA-N
Inchi IDInChI=1S/C211H348N56O62S/c1-27-109(18)165(259-187(306)134(69-78-162(284)285)246-203(322)166(110(19)28-2)260-188(307)135(79-89-330-26)243-178(297)123(55-37-41-83-215)232-179(298)124(56-43-84-226-210(222)223)236-189(308)136(90-103(6)7)249-192(311)139(93-106(12)13)252-194(313)141(96-118-50-42-49-117-48-32-33-51-119(117)118)253-186(305)130(64-73-154(219)273)244-200(319)148-58-45-87-266(148)207(326)146(95-108(16)17)257-197(316)144(99-163(286)287)256-204(323)167(111(20)29-3)261-199(318)147(102-268)258-205(324)168(112(21)30-4)262-201(320)149-59-46-88-267(149)208(327)150-60-47-86-265(150)158(277)101-228-173(292)126-65-74-157(276)231-126)202(321)245-133(68-77-161(282)283)185(304)235-121(53-35-39-81-213)176(295)240-129(63-72-153(218)272)182(301)242-132(67-76-160(280)281)184(303)234-122(54-36-40-82-214)177(296)241-131(66-75-159(278)279)183(302)233-120(52-34-38-80-212)175(294)239-128(62-71-152(217)271)181(300)238-127(61-70-151(216)270)174(293)230-114(23)171(290)229-115(24)172(291)247-142(97-155(220)274)196(315)254-143(98-156(221)275)195(314)237-125(57-44-85-227-211(224)225)180(299)248-137(91-104(8)9)190(309)250-138(92-105(10)11)191(310)251-140(94-107(14)15)193(312)255-145(100-164(288)289)198(317)264-170(116(25)269)206(325)263-169(209(328)329)113(22)31-5/h32-33,42,48-51,103-116,120-150,165-170,268-269H,27-31,34-41,43-47,52-102,212-215H2,1-26H3,(H2,216,270)(H2,217,271)(H2,218,272)(H2,219,273)(H2,220,274)(H2,221,275)(H,228,292)(H,229,290)(H,230,293)(H,231,276)(H,232,298)(H,233,302)(H,234,303)(H,235,304)(H,236,308)(H,237,314)(H,238,300)(H,239,294)(H,240,295)(H,241,296)(H,242,301)(H,243,297)(H,244,319)(H,245,321)(H,246,322)(H,247,291)(H,248,299)(H,249,311)(H,250,309)(H,251,310)(H,252,313)(H,253,305)(H,254,315)(H,255,312)(H,256,323)(H,257,316)(H,258,324)(H,259,306)(H,260,307)(H,261,318)(H,262,320)(H,263,325)(H,264,317)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,328,329)(H4,222,223,226)(H4,224,225,227)/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-,165-,166-,167-,168-,169-,170-/m0/s1
PubChem CID91933192
ChEMBLCHEMBL427611
IUPHARN/A
BindingDB50158968
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
EC50366.5 nMPMID15634020ChEMBL
EC50367.0 nMPMID15634020BindingDB
Emax100.0 %PMID15634020ChEMBL

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