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

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GPCR

NameCannabinoid receptor 1
SpeciesHomo sapiens (Human)
GeneCNR1
SynonymSKR6R
CB1
Central cannabinoid receptor
CB1R
Cann7
[ Show all ]
DiseaseType 2 diabetes
Schizophrenia
Psychotic disorders
Postherpetic neuralgia
Pain
[ Show all ]
Length472
Amino acid sequenceMKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProtP21554
Protein Data Bank6n4b, 5xr8, 5u09, 5tgz, 5tjv, 5xra
GPCR-HGmod modelP21554
3D structure modelThis structure is from PDB ID 6n4b.
BioLiPBL0364157, BL0440253, BL0440254,BL0440255, BL0384681, BL0384680, BL0384679, BL0384684, BL0384683, BL0384682, BL0363267, BL0361446, BL0361447
Therapeutic Target DatabaseT76685
ChEMBLCHEMBL218
IUPHAR56
DrugBankBE0000061

Known ligands

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Total entries: 7843
Page:  / 79 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
172D structureCHEMBL2063242C23H23Cl2N3O3460.3554 / 14.7Yes
252D structureN-(4-methoxybenzyl)oleamideC26H43NO2401.6352 / 18.5No
2342D structureCHEMBL204391C23H16Cl3N3O2472.753 / 14.8Yes
2772D structureCHEMBL2205617C21H20F4N2O3S456.4568 / 14.3Yes
4416822D structureCHEMBL3322349C25H29Cl3N4O507.8843 / 27.0No
4572D structureCHEMBL572080C30H29ClN4O2513.0385 / 26.2No
4642D structureCHEMBL294472C25H36O3384.563 / 17.0No
4672D structureCHEMBL59540C25H36O3384.563 / 17.0No
5062D structureCHEMBL481508C18H27N3O2S2381.5536 / 05.8No
5572D structureCHEMBL558564C20H20Cl5N5O523.6644 / 3N/ANo
5339162D structureCHEMBL3937055C16H19F2N3O5S403.4018 / 20.6Yes
5872D structureCHEMBL1223776C25H35N3O393.5753 / 15.4No
6052D structureCHEMBL2153673C28H27Cl2N5O3S584.5165 / 25.6No
5197022D structureCHEMBL3924062C21H28N4O3384.486 / 14.2Yes
6652D structureCHEMBL392836C21H15Cl3N2O417.7143 / 06.8No
7222D structureCHEMBL411504C24H31N3O4S457.5896 / 04.1Yes
5197042D structureCHEMBL3915356C29H20Cl2F3N3O554.3946 / 27.0No
7242D structureCHEMBL605109C29H26Cl2N4O3549.4524 / 24.6No
8592D structureCHEMBL1641939C26H32N2O2404.5543 / 15.7No
5359372D structureCHEMBL3936958C20H22F3N3O3S441.4698 / 13.8Yes
5359392D structureCHEMBL3903525C19H24F2N4O4410.4229 / 12.8Yes
10672D structureCHEMBL2205606C20H20F2N2O5S438.4468 / 13.1Yes
11412D structureCHEMBL1076680C19H16Cl2O3S395.2944 / 15.3No
12352D structureCHEMBL2113257C25H27ClN2O2422.9533 / 15.5No
13132D structureCHEMBL1080908C23H25ClF3N5O2S527.9918 / 14.8No
13142D structureCHEMBL1080545C23H25ClF3N5O2S527.9918 / 14.8No
13172D structureCHEMBL1081213C23H25ClF3N5O2S527.9918 / 14.8No
5197082D structureCHEMBL3908425C21H27F2N5O3435.4769 / 03.0Yes
15512D structure875014-22-5C25H32N2OS408.6042 / 17.4No
16732D structureCHEMBL584528C20H21F4NO2383.3876 / 04.0Yes
16812D structureCHEMBL2179751C29H35N3O2457.6183 / 25.6No
20052D structureCHEMBL2152810C28H32N2O2S460.6364 / 16.6No
20252D structureCHEMBL271839C23H31NO2353.5062 / 04.7Yes
5359712D structureCHEMBL3925964C29H27ClF3N3O5S622.05610 / 35.0No
20412D structureCHEMBL478643C23H22BrNO408.3391 / 15.8No
20942D structureCHEMBL2163952C30H32N2O3468.5974 / 15.9No
22212D structureCHEMBL485192C25H29N3O2403.5264 / 15.4No
5479222D structureCHEMBL3911884C15H21ClN2O3312.7944 / 22.3Yes
5573642D structureSCHEMBL15790159C15H21ClN2O3312.7944 / 22.3Yes
5359782D structureCHEMBL3911641C15H21ClN2O3312.7944 / 22.3Yes
23482D structureCHEMBL1762420C18H28N4O4364.4465 / 11.2Yes
4417682D structureCHEMBL3401612C21H21Cl2N3O402.3192 / 15.5No
23652D structureCHEMBL475910C29H26BrNO484.4371 / 17.3No
23812D structureCHEMBL1801072C25H24FN5O4477.4967 / 23.7Yes
5359822D structureSCHEMBL17557589C28H28Cl2N4O3S571.5177 / 25.6No
30062D structureCHEMBL464916C21H27N3O337.4673 / 24.8Yes
30092D structureCHEMBL3114514C21H16FN3O345.3773 / 24.3Yes
4632412D structureCHEMBL3605035C20H14Cl2O3373.2293 / 25.8No
30672D structureCHEMBL511558C25H14Cl3N3O478.7573 / 16.8No
5359872D structureBDBM118149C36H31Cl2N3O3624.5624 / 17.9No
30742D structureCHEMBL2163572C29H38N4O3490.6486 / 14.2Yes
31982D structureCHEMBL2030757C23H23Cl3N4O3S541.8725 / 15.3No
32072D structureCHEMBL398905C23H34O2342.5232 / 16.6No
32852D structureCHEMBL229698C24H26ClN3O407.9422 / 16.1No
33352D structureCID 11668762C21H14Cl2N2OS413.3162 / 06.0No
5360002D structureSCHEMBL16023414C17H18F2N6O360.3698 / 02.2Yes
5360022D structureSCHEMBL17557608C34H30Cl2N4O5S677.5979 / 27.5No
35442D structureCHEMBL1765270C24H28N2O2376.53 / 13.4Yes
35642D structureCHEMBL515648C22H18ClFN4O408.8616 / 05.3No
35652D structureCHEMBL478202C22H18ClFN4O408.8616 / 05.3No
5360072D structureSCHEMBL16222656C20H23ClN6O2S446.9547 / 02.4Yes
5360102D structureSCHEMBL17557600C35H32Cl2N4O2611.5676 / 26.3No
4418572D structureSCHEMBL5643095C22H32ClN3O2405.9673 / 1N/AN/A
37372D structureCHEMBL449341C17H14Cl2N2O3S397.274 / 14.2Yes
39712D structureCHEMBL1091832C25H20Cl2N2O4483.3455 / 26.3No
40022D structureCHEMBL518505C23H22BrCl2N3O507.2532 / 17.1No
40472D structureCHEMBL15918C19H18Cl3N5O438.7374 / 14.9Yes
40632D structureAC1LP5MHC19H16N2O2S336.4094 / 04.1Yes
5360322D structureSCHEMBL16211797C18H21ClN6S388.9186 / 03.9Yes
41472D structureCHEMBL2347042C21H21Cl3N2407.7631 / 08.3No
4418802D structureCHEMBL3401608C20H19ClN2O3370.8333 / 24.9Yes
41882D structureCID 56595575C24H28N4O2404.5144 / 02.7Yes
41972D structureCHEMBL2316259C25H34N2O2S426.6194 / 16.4No
42632D structureCHEMBL2381791C29H36N4O2472.6334 / 16.4No
44222D structureCHEMBL2071068C24H28ClN3O2425.9573 / 34.7Yes
5360442D structureSCHEMBL18548029C27H23Cl2F3N4O3S611.4619 / 06.8No
45552D structureUNII-4MC625LVIDC21H29NO2327.4682 / 14.1Yes
5479512D structureCHEMBL3930886C29H24Cl2N4O515.4383 / 16.3No
5574142D structureSCHEMBL15776122C18H22FN3O3347.395 / 12.1Yes
5479532D structureCHEMBL3891188C18H22FN3O3347.395 / 12.1Yes
5360592D structureCHEMBL3898811C18H22FN3O3347.395 / 12.1Yes
5360602D structureSCHEMBL18548061C37H36Cl2N4O4S703.6796 / 17.3No
48602D structureCHEMBL397690C18H19ClN2O2S362.8724 / 13.8Yes
48622D structureCHEMBL468919C18H19ClN2O2S362.8724 / 13.8Yes
5360632D structureSCHEMBL18547958C35H33Cl2N3O3S646.6275 / 08.0No
50412D structureCHEMBL593606C23H19Cl2F2N3S478.3835 / 16.5No
50712D structureSCHEMBL2485239C24H32Cl2N6O491.4616 / 1N/AN/A
5555012D structurePhAR, CycloproylC26H43NO4433.6334 / 27.0No
51172D structureCHEMBL225414C21H18Br2N2O2490.1952 / 34.6Yes
52242D structureCHEMBL511907C25H27Cl3N4O505.8683 / 17.8No
52582D structureCHEMBL157591C24H20ClF3N4O2S520.9557 / 15.5No
52852D structureCHEMBL262858C24H22N2O3386.4514 / 04.3Yes
5574262D structureSCHEMBL17557708C33H28Cl2N4O2583.5136 / 25.5No
53302D structureCHEMBL600426C23H35NO341.5392 / 07.4No
53402D structureCHEMBL2010905C19H28N2O3S364.5044 / 23.7Yes
54302D structureCHEMBL2170545C22H32N2O2356.513 / 14.3Yes
55152D structureOrg 27569C24H28ClN3O409.9582 / 26.0No
4419142D structureCHEMBL3347311C22H31Cl2N3O424.412 / 1N/AN/A
55702D structureCHEMBL1209670C27H26ClF3N2O2502.9626 / 06.6No
5197222D structureCHEMBL3970448C17H21N3O2299.3744 / 12.8Yes

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