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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 | CHEMBL505216 |
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Molecular formula | C56H87N17O13S2 |
IUPAC name | (2S)-2-[6-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-sulfanylpropanoyl]amino]hexanoylamino]-N-[(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]pentanediamide |
Molecular weight | 1270.54 |
Hydrogen bond acceptor | 17 |
Hydrogen bond donor | 17 |
XlogP | -1.6 |
Synonyms | BDBM50279042 (2S)-N1-((5S,8S,11S,17S,20S,23S)-11-((1H-imidazol-5-yl)methyl)-5-carbamoyl-24-(1H-indol-3-yl)-8-isobutyl-17-isopropyl-20-methyl-7,10,13,16,19,22-hexaoxo-2-thia-6,9,12,15,18,21-hexaazatetracosan-23-yl)-2-(6-(2-(2-(2-aminoacetamido)acetamido)-3-mercaptoprop |
Inchi Key | INLKEFUSDQOKIO-CJRJCTNQSA-N |
Inchi ID | InChI=1S/C56H87N17O13S2/c1-30(2)20-39(54(84)70-37(49(59)79)17-19-88-6)71-55(85)41(22-34-25-60-29-65-34)68-47(78)27-64-56(86)48(31(3)4)73-50(80)32(5)66-53(83)40(21-33-24-62-36-13-10-9-12-35(33)36)72-52(82)38(15-16-43(58)74)67-44(75)14-8-7-11-18-61-51(81)42(28-87)69-46(77)26-63-45(76)23-57/h9-10,12-13,24-25,29-32,37-42,48,62,87H,7-8,11,14-23,26-28,57H2,1-6H3,(H2,58,74)(H2,59,79)(H,60,65)(H,61,81)(H,63,76)(H,64,86)(H,66,83)(H,67,75)(H,68,78)(H,69,77)(H,70,84)(H,71,85)(H,72,82)(H,73,80)/t32-,37-,38-,39-,40-,41-,42?,48-/m0/s1 |
PubChem CID | 44592745 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 50279042 |
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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IC50 | 1.45 nM | PMID19522464 | BindingDB |
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