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Name | Glucagon-like peptide 1 receptor |
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Species | Homo sapiens (Human) |
Gene | GLP1R |
Synonym | glucagon-like peptide 1 receptor GLP-1R GLP-1-R GLP-1 receptor |
Disease | Type 1/2 diabetes Type 1 diabetes Obesity Non-insulin dependent diabetes Non-alcoholic steatohepatitis [ Show all ] |
Length | 463 |
Amino acid sequence | MAGAPGPLRLALLLLGMVGRAGPRPQGATVSLWETVQKWREYRRQCQRSLTEDPPPATDLFCNRTFDEYACWPDGEPGSFVNVSCPWYLPWASSVPQGHVYRFCTAEGLWLQKDNSSLPWRDLSECEESKRGERSSPEEQLLFLYIIYTVGYALSFSALVIASAILLGFRHLHCTRNYIHLNLFASFILRALSVFIKDAALKWMYSTAAQQHQWDGLLSYQDSLSCRLVFLLMQYCVAANYYWLLVEGVYLYTLLAFSVLSEQWIFRLYVSIGWGVPLLFVVPWGIVKYLYEDEGCWTRNSNMNYWLIIRLPILFAIGVNFLIFVRVICIVVSKLKANLMCKTDIKCRLAKSTLTLIPLLGTHEVIFAFVMDEHARGTLRFIKLFTELSFTSFQGLMVAILYCFVNNEVQLEFRKSWERWRLEHLHIQRDSSMKPLKCPTSSLSSGATAGSSMYTATCQASCS |
UniProt | P43220 |
Protein Data Bank | 5vex, 3c59, 3c5t, 5nx2, 3iol, 4zgm, 5otu, 5vew, 5otw, 5otx, 5otv |
GPCR-HGmod model | P43220 |
3D structure model | This structure is from PDB ID 5vex. |
BioLiP | BL0418498,BL0418499, BL0143794, BL0143795, BL0167479, BL0167480, BL0324354, BL0324355,BL0324356, BL0378791,BL0378792, BL0379513,BL0379514, BL0418500,BL0418501, BL0380967, BL0418494,BL0418495, BL0418496,BL0418497, BL0143732, BL0143731, BL0380966 |
Therapeutic Target Database | T36075 |
ChEMBL | CHEMBL1784 |
IUPHAR | 249 |
DrugBank | BE0000857 |
Name | CHEMBL3823671 |
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Molecular formula | C151H234N42O47 |
IUPAC name | (4S)-5-[[1-[[(2R)-4-amino-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid |
Molecular weight | 3389.78 |
Hydrogen bond acceptor | 52 |
Hydrogen bond donor | 50 |
XlogP | -15.9 |
Synonyms | BDBM50184311 |
Inchi Key | RBYBMJQWPIDFRR-BGFZUJJISA-N |
Inchi ID | InChI=1S/C151H234N42O47/c1-18-22-39-89(173-130(220)92(44-46-113(203)204)174-139(229)103(61-115(207)208)185-145(235)107(69-195)188-135(225)97(54-81-34-25-23-26-35-81)180-144(234)106(68-194)170-112(202)67-165-127(217)102(60-114(205)206)169-111(201)66-164-126(216)86(154)57-84-65-161-70-166-84)128(218)175-93(47-49-153)132(222)193-122(80(17)197)150(240)191-120(76(13)21-4)148(238)186-95(52-72(7)8)134(224)184-105(63-117(211)212)141(231)182-100(58-109(156)199)137(227)177-94(51-71(5)6)133(223)168-77(14)124(214)167-78(15)125(215)172-90(42-33-50-162-151(159)160)129(219)183-104(62-116(209)210)140(230)179-98(55-82-36-27-24-28-37-82)143(233)190-119(75(12)20-3)147(237)187-101(59-110(157)200)138(228)181-99(56-83-64-163-87-40-30-29-38-85(83)87)136(226)178-96(53-73(9)10)142(232)189-118(74(11)19-2)146(236)176-91(43-45-108(155)198)131(221)192-121(79(16)196)149(239)171-88(123(158)213)41-31-32-48-152/h23-30,34-38,40,64-65,70-80,86,88-107,118-122,163,194-197H,18-22,31-33,39,41-63,66-69,152-154H2,1-17H3,(H2,155,198)(H2,156,199)(H2,157,200)(H2,158,213)(H,161,166)(H,164,216)(H,165,217)(H,167,214)(H,168,223)(H,169,201)(H,170,202)(H,171,239)(H,172,215)(H,173,220)(H,174,229)(H,175,218)(H,176,236)(H,177,227)(H,178,226)(H,179,230)(H,180,234)(H,181,228)(H,182,231)(H,183,219)(H,184,224)(H,185,235)(H,186,238)(H,187,237)(H,188,225)(H,189,232)(H,190,233)(H,191,240)(H,192,221)(H,193,222)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H4,159,160,162)/t74-,75-,76-,77-,78-,79+,80+,86-,88-,89?,90-,91-,92-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,118-,119-,120-,121-,122-/m0/s1 |
PubChem CID | 127048570 |
ChEMBL | CHEMBL3823671 |
IUPHAR | N/A |
BindingDB | 50184311 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
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EC50 | <1000.0 nM | PMID26986178 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417