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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 44388688
Molecular formulaC205H351N55O61S
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,3S)-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-methylpentanoyl]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 weight4594.45
Hydrogen bond acceptor68
Hydrogen bond donor59
XlogP-16.8
SynonymsN/A
Inchi KeyDOVZPCMHYTWBGR-TVWGFNMKSA-N
Inchi IDInChI=1S/C205H351N55O61S/c1-31-106(21)158(251-180(297)128(66-74-155(276)277)238-196(313)159(107(22)32-2)252-181(298)129(75-85-322-30)236-172(289)118(53-40-44-79-209)225-173(290)119(54-45-80-219-204(215)216)229-182(299)130(86-99(7)8)241-186(303)134(90-103(15)16)247-197(314)160(108(23)33-3)253-190(307)135(91-104(17)18)246-193(310)142-56-47-83-259(142)201(318)140(92-105(19)20)249-189(306)138(95-156(278)279)248-198(315)161(109(24)34-4)254-192(309)141(98-261)250-199(316)162(110(25)35-5)255-194(311)143-57-48-84-260(143)202(319)144-58-49-82-258(144)151(269)97-221-167(284)121-62-70-150(268)224-121)195(312)237-127(65-73-154(274)275)179(296)228-116(51-38-42-77-207)170(287)233-124(61-69-147(212)265)176(293)235-126(64-72-153(272)273)178(295)227-117(52-39-43-78-208)171(288)234-125(63-71-152(270)271)177(294)226-115(50-37-41-76-206)169(286)232-123(60-68-146(211)264)175(292)231-122(59-67-145(210)263)168(285)223-112(27)165(282)222-113(28)166(283)239-136(93-148(213)266)188(305)244-137(94-149(214)267)187(304)230-120(55-46-81-220-205(217)218)174(291)240-131(87-100(9)10)183(300)242-132(88-101(11)12)184(301)243-133(89-102(13)14)185(302)245-139(96-157(280)281)191(308)257-164(114(29)262)200(317)256-163(203(320)321)111(26)36-6/h99-144,158-164,261-262H,31-98,206-209H2,1-30H3,(H2,210,263)(H2,211,264)(H2,212,265)(H2,213,266)(H2,214,267)(H,221,284)(H,222,282)(H,223,285)(H,224,268)(H,225,290)(H,226,294)(H,227,295)(H,228,296)(H,229,299)(H,230,304)(H,231,292)(H,232,286)(H,233,287)(H,234,288)(H,235,293)(H,236,289)(H,237,312)(H,238,313)(H,239,283)(H,240,291)(H,241,303)(H,242,300)(H,243,301)(H,244,305)(H,245,302)(H,246,310)(H,247,314)(H,248,315)(H,249,306)(H,250,316)(H,251,297)(H,252,298)(H,253,307)(H,254,309)(H,255,311)(H,256,317)(H,257,308)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H,278,279)(H,280,281)(H,320,321)(H4,215,216,219)(H4,217,218,220)/t106-,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-,142-,143-,144-,158-,159-,160-,161-,162-,163-,164-/m0/s1
PubChem CID44388688
ChEMBLCHEMBL427923
IUPHARN/A
BindingDB50158971
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
EC50106.0 nMPMID15634020BindingDB,ChEMBL
Emax94.0 %PMID15634020ChEMBL

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