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Name | Gastrin-releasing peptide receptor |
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Species | Homo sapiens (Human) |
Gene | GRPR |
Synonym | GRP-R GRP-preferring bombesin receptor gastrin-releasing peptide receptor BB2 receptor BB2 |
Disease | Solid tumours Breast cancer Cancer Irritable bowel syndrome |
Length | 384 |
Amino acid sequence | MALNDCFLLNLEVDHFMHCNISSHSADLPVNDDWSHPGILYVIPAVYGVIILIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLITCAPVDASRYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAAFIWIISMLLAIPEAVFSDLHPFHEESTNQTFISCAPYPHSNELHPKIHSMASFLVFYVIPLSIISVYYYFIAKNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFVTSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPGLIIRSHSTGRSTTCMTSLKSTNPSVATFSLINGNICHERYV |
UniProt | P30550 |
Protein Data Bank | N/A |
GPCR-HGmod model | P30550 |
3D structure model | This predicted structure model is from GPCR-EXP P30550. |
BioLiP | N/A |
Therapeutic Target Database | T99816 |
ChEMBL | CHEMBL4959 |
IUPHAR | 39 |
DrugBank | N/A |
Name | CHEMBL3967299 |
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Molecular formula | C68H102N19O20PS |
IUPAC name | 2-[4-[2-[[2-[4-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]-2-methoxyanilino]-2-oxoethyl]amino]-2-oxoethyl]-7-(carboxymethyl)-10-(phosphonomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1568.71 |
Hydrogen bond acceptor | 26 |
Hydrogen bond donor | 18 |
XlogP | -9.3 |
Synonyms | N/A |
Inchi Key | JBRWLKZEEUNOAJ-PHDXWTAFSA-N |
Inchi ID | InChI=1S/C68H102N19O20PS/c1-39(2)26-50(66(101)79-48(61(70)96)16-25-109-7)81-67(102)52(29-44-31-71-37-75-44)78-56(90)33-74-68(103)60(40(3)4)83-62(97)41(5)76-65(100)51(27-43-30-72-46-11-9-8-10-45(43)46)82-64(99)49(14-15-54(69)88)80-63(98)42-12-13-47(53(28-42)107-6)77-55(89)32-73-57(91)34-84-17-19-85(35-58(92)93)21-23-87(38-108(104,105)106)24-22-86(20-18-84)36-59(94)95/h8-13,28,30-31,37,39-41,48-52,60,72H,14-27,29,32-36,38H2,1-7H3,(H2,69,88)(H2,70,96)(H,71,75)(H,73,91)(H,74,103)(H,76,100)(H,77,89)(H,78,90)(H,79,101)(H,80,98)(H,81,102)(H,82,99)(H,83,97)(H,92,93)(H,94,95)(H2,104,105,106)/t41-,48-,49-,50-,51-,52-,60-/m0/s1 |
PubChem CID | 134149923 |
ChEMBL | CHEMBL3967299 |
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 | 4.0 nM | None | ChEMBL |
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