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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 | CHEMBL3953118 |
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Molecular formula | C69H109N21O21S2 |
IUPAC name | (2S)-2-[[2-[[2-[2-[2-[[(2S)-2-[[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]ethoxy]ethoxy]acetyl]amino]acetyl]amino]-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 | 1632.88 |
Hydrogen bond acceptor | 25 |
Hydrogen bond donor | 21 |
XlogP | -5.4 |
Synonyms | N/A |
Inchi Key | GBGCMIYBQRGOAH-CFQNFXDJSA-N |
Inchi ID | InChI=1S/C69H109N21O21S2/c1-37(2)22-47(66(106)85-45(60(71)100)16-21-112-9)86-67(107)49(24-42-26-72-35-78-42)82-55(96)29-77-69(109)59(38(3)4)89-61(101)39(5)80-65(105)48(23-41-25-74-44-13-11-10-12-43(41)44)87-64(104)46(14-15-53(70)94)81-54(95)27-75-58(99)33-111-20-19-110-18-17-73-62(102)50(31-91)83-56(97)28-76-63(103)52(34-113-36-79-40(6)93)88-68(108)51(32-92)84-57(98)30-90(7)8/h10-13,25-26,35,37-39,45-52,59,74,91-92H,14-24,27-34,36H2,1-9H3,(H2,70,94)(H2,71,100)(H,72,78)(H,73,102)(H,75,99)(H,76,103)(H,77,109)(H,79,93)(H,80,105)(H,81,95)(H,82,96)(H,83,97)(H,84,98)(H,85,106)(H,86,107)(H,87,104)(H,88,108)(H,89,101)/t39-,45-,46-,47-,48-,49-,50-,51-,52-,59-/m0/s1 |
PubChem CID | 134144212 |
ChEMBL | CHEMBL3953118 |
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 | 10.0 nM | None | ChEMBL |
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