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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 77231999
Molecular formulaC212H347N57O61S
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-(1H-imidazol-5-yl)propanoyl]amino]-3-naphthalen-1-ylpropanoyl]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 weight4702.51
Hydrogen bond acceptor69
Hydrogen bond donor60
XlogP-16.8
SynonymsN/A
Inchi KeyPGLTWESUZITMQL-RMXAELLASA-N
Inchi IDInChI=1S/C212H347N57O61S/c1-27-110(18)166(261-187(306)135(68-76-163(285)286)247-204(323)167(111(19)28-2)262-188(307)136(77-87-331-26)245-179(298)125(55-37-41-81-216)234-180(299)126(56-43-82-227-211(222)223)238-189(308)137(88-104(6)7)250-192(311)140(91-107(12)13)253-194(313)142(94-119-50-42-49-118-48-32-33-51-121(118)119)254-195(314)143(95-120-100-226-103-230-120)257-201(320)150-58-45-85-268(150)208(327)148(93-109(16)17)259-198(317)146(98-164(287)288)258-205(324)168(112(20)29-3)263-200(319)149(102-270)260-206(325)169(113(21)30-4)264-202(321)151-59-46-86-269(151)209(328)152-60-47-84-267(152)159(278)101-229-174(293)128-64-72-158(277)233-128)203(322)246-134(67-75-162(283)284)186(305)237-123(53-35-39-79-214)177(296)242-131(63-71-155(219)274)183(302)244-133(66-74-161(281)282)185(304)236-124(54-36-40-80-215)178(297)243-132(65-73-160(279)280)184(303)235-122(52-34-38-78-213)176(295)241-130(62-70-154(218)273)182(301)240-129(61-69-153(217)272)175(294)232-115(23)172(291)231-116(24)173(292)248-144(96-156(220)275)197(316)255-145(97-157(221)276)196(315)239-127(57-44-83-228-212(224)225)181(300)249-138(89-105(8)9)190(309)251-139(90-106(10)11)191(310)252-141(92-108(14)15)193(312)256-147(99-165(289)290)199(318)266-171(117(25)271)207(326)265-170(210(329)330)114(22)31-5/h32-33,42,48-51,100,103-117,122-152,166-171,270-271H,27-31,34-41,43-47,52-99,101-102,213-216H2,1-26H3,(H2,217,272)(H2,218,273)(H2,219,274)(H2,220,275)(H2,221,276)(H,226,230)(H,229,293)(H,231,291)(H,232,294)(H,233,277)(H,234,299)(H,235,303)(H,236,304)(H,237,305)(H,238,308)(H,239,315)(H,240,301)(H,241,295)(H,242,296)(H,243,297)(H,244,302)(H,245,298)(H,246,322)(H,247,323)(H,248,292)(H,249,300)(H,250,311)(H,251,309)(H,252,310)(H,253,313)(H,254,314)(H,255,316)(H,256,312)(H,257,320)(H,258,324)(H,259,317)(H,260,325)(H,261,306)(H,262,307)(H,263,319)(H,264,321)(H,265,326)(H,266,318)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H,289,290)(H,329,330)(H4,222,223,227)(H4,224,225,228)/t110-,111-,112-,113-,114-,115-,116-,117+,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-,151-,152-,166-,167-,168-,169-,170-,171-/m0/s1
PubChem CID77231999
ChEMBLCHEMBL438391
IUPHARN/A
BindingDB50158973
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
EC50115.5 nMPMID15634020ChEMBL
EC50116.0 nMPMID15634020BindingDB
Emax100.0 %PMID15634020ChEMBL

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