Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

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 44388647
Molecular formulaC203H345N57O63S
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)-5-amino-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]-5-oxopentanoyl]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 weight4624.39
Hydrogen bond acceptor70
Hydrogen bond donor61
XlogP-21.7
SynonymsN/A
Inchi KeyCXSULMFSPXVCBO-OULPURPSSA-N
Inchi IDInChI=1S/C203H345N57O63S/c1-27-103(18)157(252-180(301)126(63-73-154(278)279)240-195(316)158(104(19)28-2)253-181(302)127(74-84-324-26)237-170(291)114(48-35-39-78-207)225-171(292)115(49-40-79-219-202(215)216)229-182(303)128(85-97(6)7)244-184(305)130(87-99(10)11)243-179(300)121(57-67-145(211)266)234-175(296)122(58-68-146(212)267)238-192(313)139-51-42-82-259(139)199(320)137(90-102(16)17)250-189(310)135(93-155(280)281)249-196(317)159(105(20)29-3)254-191(312)138(96-261)251-197(318)160(106(21)30-4)255-193(314)140-52-43-83-260(140)200(321)141-53-44-81-258(141)150(271)95-221-165(286)117-59-69-149(270)224-117)194(315)239-125(62-72-153(276)277)178(299)228-112(46-33-37-76-205)168(289)233-120(56-66-144(210)265)174(295)236-124(61-71-152(274)275)177(298)227-113(47-34-38-77-206)169(290)235-123(60-70-151(272)273)176(297)226-111(45-32-36-75-204)167(288)232-119(55-65-143(209)264)173(294)231-118(54-64-142(208)263)166(287)223-108(23)163(284)222-109(24)164(285)241-133(91-147(213)268)188(309)247-134(92-148(214)269)187(308)230-116(50-41-80-220-203(217)218)172(293)242-129(86-98(8)9)183(304)245-131(88-100(12)13)185(306)246-132(89-101(14)15)186(307)248-136(94-156(282)283)190(311)257-162(110(25)262)198(319)256-161(201(322)323)107(22)31-5/h97-141,157-162,261-262H,27-96,204-207H2,1-26H3,(H2,208,263)(H2,209,264)(H2,210,265)(H2,211,266)(H2,212,267)(H2,213,268)(H2,214,269)(H,221,286)(H,222,284)(H,223,287)(H,224,270)(H,225,292)(H,226,297)(H,227,298)(H,228,299)(H,229,303)(H,230,308)(H,231,294)(H,232,288)(H,233,289)(H,234,296)(H,235,290)(H,236,295)(H,237,291)(H,238,313)(H,239,315)(H,240,316)(H,241,285)(H,242,293)(H,243,300)(H,244,305)(H,245,304)(H,246,306)(H,247,309)(H,248,307)(H,249,317)(H,250,310)(H,251,318)(H,252,301)(H,253,302)(H,254,312)(H,255,314)(H,256,319)(H,257,311)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,322,323)(H4,215,216,219)(H4,217,218,220)/t103-,104-,105-,106-,107-,108-,109-,110+,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,157-,158-,159-,160-,161-,162-/m0/s1
PubChem CID44388647
ChEMBLCHEMBL440427
IUPHARN/A
BindingDB50158989
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
Emax50.0 %PMID15634020ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218