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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

NameCHEMBL438756
Molecular formulaC149H253N49O43S2
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-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-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)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(4S,7S,10S,13S)-13-amino-10-(1H-imidazol-4-ylmethyl)-7-(2-methylpropyl)-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
Molecular weight3483.08
Hydrogen bond acceptor52
Hydrogen bond donor49
XlogP-14.2
SynonymsN/A
Inchi KeyCDVIHWJIKVRLHH-RENOXGFCSA-N
Inchi IDInChI=1S/C149H253N49O43S2/c1-21-25-32-84(177-132(227)94(42-49-111(206)207)186-138(233)100(59-73(11)12)193-145(240)114(74(13)14)196-134(229)95(43-50-112(208)209)184-128(223)89(37-31-55-167-149(161)162)181-144(239)105-67-243-242-66-83(151)122(217)188-102(61-82-64-164-69-169-82)140(235)191-99(58-72(9)10)139(234)195-105)123(218)170-77(17)118(213)174-87(35-29-53-165-147(157)158)124(219)171-78(18)119(214)176-93(41-48-110(204)205)131(226)183-92(40-47-108(154)202)133(228)189-97(56-70(5)6)136(231)173-79(19)120(215)175-91(39-46-107(153)201)130(225)182-90(38-45-106(152)200)125(220)172-80(20)121(216)187-101(60-81-63-163-68-168-81)141(236)194-104(65-199)143(238)192-103(62-109(155)203)142(237)180-88(36-30-54-166-148(159)160)127(222)178-86(34-27-28-52-150)129(224)190-98(57-71(7)8)137(232)179-85(33-26-22-2)126(221)185-96(44-51-113(210)211)135(230)198-116(76(16)24-4)146(241)197-115(117(156)212)75(15)23-3/h63-64,68-80,83-105,114-116,199H,21-62,65-67,150-151H2,1-20H3,(H2,152,200)(H2,153,201)(H2,154,202)(H2,155,203)(H2,156,212)(H,163,168)(H,164,169)(H,170,218)(H,171,219)(H,172,220)(H,173,231)(H,174,213)(H,175,215)(H,176,214)(H,177,227)(H,178,222)(H,179,232)(H,180,237)(H,181,239)(H,182,225)(H,183,226)(H,184,223)(H,185,221)(H,186,233)(H,187,216)(H,188,217)(H,189,228)(H,190,224)(H,191,235)(H,192,238)(H,193,240)(H,194,236)(H,195,234)(H,196,229)(H,197,241)(H,198,230)(H,204,205)(H,206,207)(H,208,209)(H,210,211)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)/t75-,76-,77-,78-,79-,80-,83+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105+,114-,115-,116-/m0/s1
PubChem CID44282369
ChEMBLCHEMBL438756
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
Activity0.006 -PMID8182703ChEMBL

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