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GPCR

NameCorticotropin-releasing factor receptor 1
SpeciesRattus norvegicus (Rat)
GeneCrhr1
SynonymCRH-R1
CRH-R-1
CRFR1
CRFR-1
CRF1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length415
Amino acid sequenceMGRRPQLRLVKALLLLGLNPVSTSLQDQRCENLSLTSNVSGLQCNASVDLIGTCWPRSPAGQLVVRPCPAFFYGVRYNTTNNGYRECLANGSWAARVNYSECQEILNEEKKSKVHYHVAVIINYLGHCISLVALLVAFVLFLRLRSIRCLRNIIHWNLISAFILRNATWFVVQLTVSPEVHQSNVAWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYSTDRLRKWMFVCIGWGVPFPIIVAWAIGKLHYDNEKCWFGKRPGVYTDYIYQGPMILVLLINFIFLFNIVRILMTKLRASTTSETIQYRKAVKATLVLLPLLGITYMLFFVNPGEDEVSRVVFIYFNSFLESFQGFFVSVFYCFLNSEVRSAIRKRWRRWQDKHSIRARVARAMSIPTSPTRVSFHSIKQSTAV
UniProtP35353
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4649
IUPHAR212
DrugBankN/A

Ligand

NameCHEMBL436900
Molecular formulaC159H263N47O43
IUPAC name(4S)-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(3S,4S)-1-amino-4-methyl-1,2-dioxohexan-3-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S,5S,8S,17R)-17-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-2-butyl-5-methyl-3,6,11,18-tetraoxo-1,4,7,12-tetrazacyclooctadecane-8-carbonyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular weight3521.14
Hydrogen bond acceptor49
Hydrogen bond donor47
XlogP-9.7
SynonymsN/A
Inchi KeyCXPMVZNUQQYTPG-PKFBGUMYSA-N
Inchi IDInChI=1S/C159H263N47O43/c1-23-27-40-94-134(226)178-86(19)129(221)183-103(49-56-120(212)173-61-35-33-43-97(138(230)185-94)188-150(242)111(68-82(13)14)202-156(248)124(83(15)16)204-145(237)105(51-58-122(215)216)193-140(232)99(45-37-63-175-159(169)170)189-149(241)109(66-80(9)10)199-151(243)110(67-81(11)12)200-152(244)113(71-92-74-172-77-177-92)196-133(225)93(161)69-90-38-30-29-31-39-90)136(228)179-87(20)130(222)184-104(50-57-121(213)214)143(235)192-102(48-55-118(164)210)144(236)197-107(64-78(5)6)147(239)181-88(21)131(223)182-101(47-54-117(163)209)142(234)191-100(46-53-116(162)208)135(227)180-89(22)132(224)195-112(70-91-73-171-76-176-91)153(245)203-115(75-207)155(247)201-114(72-119(165)211)154(246)190-98(44-36-62-174-158(167)168)139(231)186-96(42-32-34-60-160)141(233)198-108(65-79(7)8)148(240)187-95(41-28-24-2)137(229)194-106(52-59-123(217)218)146(238)206-126(85(18)26-4)157(249)205-125(84(17)25-3)127(219)128(166)220/h29-31,38-39,73-74,76-89,93-115,124-126,207H,23-28,32-37,40-72,75,160-161H2,1-22H3,(H2,162,208)(H2,163,209)(H2,164,210)(H2,165,211)(H2,166,220)(H,171,176)(H,172,177)(H,173,212)(H,178,226)(H,179,228)(H,180,227)(H,181,239)(H,182,223)(H,183,221)(H,184,222)(H,185,230)(H,186,231)(H,187,240)(H,188,242)(H,189,241)(H,190,246)(H,191,234)(H,192,235)(H,193,232)(H,194,229)(H,195,224)(H,196,225)(H,197,236)(H,198,233)(H,199,243)(H,200,244)(H,201,247)(H,202,248)(H,203,245)(H,204,237)(H,205,249)(H,206,238)(H,213,214)(H,215,216)(H,217,218)(H4,167,168,174)(H4,169,170,175)/t84-,85-,86-,87-,88-,89-,93+,94-,95-,96-,97+,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,124-,125-,126-/m0/s1
PubChem CID44282589
ChEMBLCHEMBL436900
IUPHARN/A
BindingDBN/A
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
Activity0.12 -PMID8182703ChEMBL
Intrinsic activity1.0 -PMID8182703ChEMBL

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