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Name | Gastrin-releasing peptide receptor |
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Species | Rattus norvegicus (Rat) |
Gene | Grpr |
Synonym | BB2 BB2 receptor gastrin-releasing peptide receptor GRP-preferring bombesin receptor GRP-R |
Disease | N/A for non-human GPCRs |
Length | 384 |
Amino acid sequence | MDPNNCSHLNLEVDPFLSCNNTFNQTLNPPKMDNWFHPGIIYVIPAVYGLIIVIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLVTCAPVDASKYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAALIWIVSMLLAIPEAVFSDLHPFHVKDTNQTFISCAPYPHSNELHPKIHSMASFLVFYIIPLSIISVYYYFIARNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFITSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPSLLNRSHSTGRSTTCMTSFKSTNPSATFSLINGNICHEGYV |
UniProt | P52500 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL4280 |
IUPHAR | 39 |
DrugBank | N/A |
Name | CHEMBL2373082 |
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Molecular formula | C91H115N18O16S+ |
IUPAC name | 3-[(2E)-2-[(2E,4E,6E)-7-[3-[3-[[2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-oxopropyl]-1,1-dimethylbenzo[e]indol-3-ium-2-yl]hepta-2,4,6-trienylidene]-1,1-dimethylbenzo[e]indol-3-yl]propanoic acid |
Molecular weight | 1749.09 |
Hydrogen bond acceptor | 20 |
Hydrogen bond donor | 17 |
XlogP | 3.6 |
Synonyms | N/A |
Inchi Key | ONFGCWWSIAHLOC-FGRIPHHNSA-O |
Inchi ID | InChI=1S/C91H114N18O16S/c1-52(2)42-65(104-83(119)62(92)38-41-126-10)87(123)105-67(44-58-46-94-51-99-58)85(121)97-49-77(115)107-81(53(3)4)89(125)100-54(5)82(118)103-66(43-57-45-95-63-27-21-20-24-59(57)63)88(124)102-64(32-35-73(93)111)84(120)96-47-75(113)101-68(50-110)86(122)98-48-76(114)106-74(112)36-39-108-69-33-30-55-22-16-18-25-60(55)79(69)90(6,7)71(108)28-14-12-11-13-15-29-72-91(8,9)80-61-26-19-17-23-56(61)31-34-70(80)109(72)40-37-78(116)117/h11-31,33-34,45-46,51-54,62,64-68,81,95,110H,32,35-44,47-50,92H2,1-10H3,(H14-,93,94,96,97,98,99,100,101,102,103,104,105,106,107,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125)/p+1/t54-,62+,64-,65-,66-,67-,68-,81-/m0/s1 |
PubChem CID | 73353321 |
ChEMBL | CHEMBL2373082 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|
IC50 | 1.8 nM | PMID11985468 | ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417