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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 | CHEMBL3960301 |
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Molecular formula | C68H105N21O19S2 |
IUPAC name | (3S)-4-[[2-[4-[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]piperazin-1-yl]acetyl]amino]-3-[[(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]amino]-4-oxobutanoic acid |
Molecular weight | 1584.84 |
Hydrogen bond acceptor | 25 |
Hydrogen bond donor | 19 |
XlogP | -6.5 |
Synonyms | N/A |
Inchi Key | BCWVROXMFAFQJC-BDJHEDKBSA-N |
Inchi ID | InChI=1S/C68H105N21O19S2/c1-36(2)22-46(64(104)81-44(59(70)99)16-21-109-9)82-65(105)48(24-41-27-71-34-75-41)79-53(93)28-73-68(108)58(37(3)4)86-60(100)38(5)77-63(103)47(23-40-26-72-43-13-11-10-12-42(40)43)83-62(102)45(14-15-52(69)92)78-49(25-57(97)98)66(106)85-55(95)31-88-17-19-89(20-18-88)56(96)29-74-61(101)51(33-110-35-76-39(6)91)84-67(107)50(32-90)80-54(94)30-87(7)8/h10-13,26-27,34,36-38,44-51,58,72,78,90H,14-25,28-33,35H2,1-9H3,(H2,69,92)(H2,70,99)(H,71,75)(H,73,108)(H,74,101)(H,76,91)(H,77,103)(H,79,93)(H,80,94)(H,81,104)(H,82,105)(H,83,102)(H,84,107)(H,86,100)(H,97,98)(H,85,95,106)/t38-,44-,45-,46-,47-,48-,49-,50-,51-,58-/m0/s1 |
PubChem CID | 134155375 |
ChEMBL | CHEMBL3960301 |
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 | <50.0 nM | None | ChEMBL |
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