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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 | CHEMBL3901669 |
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Molecular formula | C72H116N22O20S2 |
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]-6-aminohexanoyl]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 | 1673.97 |
Hydrogen bond acceptor | 25 |
Hydrogen bond donor | 21 |
XlogP | -4.6 |
Synonyms | N/A |
Inchi Key | HGILZPUMYSVVPV-YQDKXJQMSA-N |
Inchi ID | InChI=1S/C72H116N22O20S2/c1-40(2)26-51(69(109)89-48(63(75)103)19-25-115-9)90-70(110)53(28-45-30-76-38-82-45)87-59(100)33-81-72(112)62(41(3)4)93-64(104)42(5)84-68(108)52(27-44-29-78-47-15-11-10-14-46(44)47)91-67(107)50(17-18-56(74)97)86-57(98)31-79-61(102)36-114-24-23-113-22-21-77-65(105)49(16-12-13-20-73)85-58(99)32-80-66(106)55(37-116-39-83-43(6)96)92-71(111)54(35-95)88-60(101)34-94(7)8/h10-11,14-15,29-30,38,40-42,48-55,62,78,95H,12-13,16-28,31-37,39,73H2,1-9H3,(H2,74,97)(H2,75,103)(H,76,82)(H,77,105)(H,79,102)(H,80,106)(H,81,112)(H,83,96)(H,84,108)(H,85,99)(H,86,98)(H,87,100)(H,88,101)(H,89,109)(H,90,110)(H,91,107)(H,92,111)(H,93,104)/t42-,48-,49-,50-,51-,52-,53-,54-,55-,62-/m0/s1 |
PubChem CID | 134135767 |
ChEMBL | CHEMBL3901669 |
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 | 49.0 nM | None | ChEMBL |
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