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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameGlucagon-like peptide 1 receptor
SpeciesRattus norvegicus (Rat)
GeneGlp1r
SynonymGLP-1 receptor
GLP-1-R
GLP-1R
glucagon-like peptide 1 receptor
DiseaseN/A for non-human GPCRs
Length463
Amino acid sequenceMAVTPSLLRLALLLLGAVGRAGPRPQGATVSLSETVQKWREYRHQCQRFLTEAPLLATGLFCNRTFDDYACWPDGPPGSFVNVSCPWYLPWASSVLQGHVYRFCTAEGIWLHKDNSSLPWRDLSECEESKQGERNSPEEQLLSLYIIYTVGYALSFSALVIASAILVSFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLGCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVFSEQRIFKLYLSIGWGVPLLFVIPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLVFIRVICIVIAKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFVKLFTELSFTSFQGFMVAVLYCFVNNEVQMEFRKSWERWRLERLNIQRDSSMKPLKCPTSSVSSGATVGSSVYAATCQNSCS
UniProtP32301
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5862
IUPHARN/A
DrugBankN/A

Ligand

NameBDBM50314040
Molecular formulaC232H357N49O67S
IUPAC name(4S)-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[2-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]amino]-6-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-6-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]oxy-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
Molecular weight4936.74
Hydrogen bond acceptor71
Hydrogen bond donor60
XlogP-5.4
SynonymsN/A
Inchi KeyYVYLDTIBMFZNEP-WUALJZCNSA-N
Inchi IDInChI=1S/C232H357N49O67S/c1-22-120(10)191(221(341)261-154(68-76-188(310)311)207(327)265-160(95-129-103-243-145-45-30-29-44-135(129)145)211(331)263-156(90-116(2)3)209(329)253-147(47-32-34-83-241-178(296)71-54-122(12)139-60-62-141-137-58-56-131-97-134(290)78-81-230(131,18)143(137)100-174(292)232(139,141)20)202(322)266-161(101-176(235)294)198(318)246-105-179(297)244-109-183(301)278-85-36-49-168(278)217(337)271-165(112-284)216(336)270-164(111-283)199(319)248-106-180(298)250-124(14)224(344)280-87-38-51-170(280)226(346)281-88-39-52-171(281)225(345)279-86-37-50-169(279)218(338)269-163(110-282)194(236)314)276-212(332)158(93-127-40-25-23-26-41-127)264-210(330)157(91-117(4)5)262-203(323)148(48-35-84-242-228(237)238)260-220(340)190(119(8)9)275-195(315)123(13)251-200(320)151(65-73-185(304)305)256-205(325)152(66-74-186(306)307)257-206(326)153(67-75-187(308)309)258-208(328)155(79-89-349-21)259-204(324)150(63-69-175(234)293)255-201(321)146(46-31-33-82-240-177(295)70-53-121(11)138-59-61-140-136-57-55-130-96-133(289)77-80-229(130,17)142(136)99-173(291)231(138,140)19)254-214(334)166(113-285)272-219(339)172(92-118(6)7)348-227(347)162(102-189(312)313)268-215(335)167(114-286)273-223(343)193(126(16)288)277-213(333)159(94-128-42-27-24-28-43-128)267-222(342)192(125(15)287)274-182(300)108-247-197(317)149(64-72-184(302)303)252-181(299)107-245-196(316)144(233)98-132-104-239-115-249-132/h23-30,40-45,103-104,115-126,130-131,133-134,136-144,146-174,190-193,243,282-292H,22,31-39,46-102,105-114,233H2,1-21H3,(H2,234,293)(H2,235,294)(H2,236,314)(H,239,249)(H,240,295)(H,241,296)(H,244,297)(H,245,316)(H,246,318)(H,247,317)(H,248,319)(H,250,298)(H,251,320)(H,252,299)(H,253,329)(H,254,334)(H,255,321)(H,256,325)(H,257,326)(H,258,328)(H,259,324)(H,260,340)(H,261,341)(H,262,323)(H,263,331)(H,264,330)(H,265,327)(H,266,322)(H,267,342)(H,268,335)(H,269,338)(H,270,336)(H,271,337)(H,272,339)(H,273,343)(H,274,300)(H,275,315)(H,276,332)(H,277,333)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H,312,313)(H4,237,238,242)/t120-,121+,122+,123-,124-,125+,126+,130+,131+,133+,134+,136-,137-,138+,139+,140-,141-,142-,143-,144-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,190-,191-,192-,193-,229-,230-,231+,232+/m0/s1
PubChem CID91937078
ChEMBLCHEMBL1092707
IUPHARN/A
BindingDB50314040
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
Efficacy49.81 %PMID19827752ChEMBL
IC5010.1 nMPMID19827752BindingDB,ChEMBL

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