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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 | CHEMBL3978062 |
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Molecular formula | C67H103N19O18S |
IUPAC name | 2-[4-[2-[[(3R)-1-[2-[[(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]-2-oxoethyl]-2-oxoazepan-3-yl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1494.74 |
Hydrogen bond acceptor | 24 |
Hydrogen bond donor | 16 |
XlogP | -8.4 |
Synonyms | N/A |
Inchi Key | HFJNWTRQCKCOID-IXSOTNPPSA-N |
Inchi ID | InChI=1S/C67H103N19O18S/c1-39(2)27-49(64(101)78-46(60(69)97)16-26-105-6)79-65(102)51(29-43-31-70-38-73-43)77-53(88)32-72-66(103)59(40(3)4)81-61(98)41(5)74-63(100)50(28-42-30-71-45-12-8-7-11-44(42)45)80-62(99)47(14-15-52(68)87)75-55(90)34-86-17-10-9-13-48(67(86)104)76-54(89)33-82-18-20-83(35-56(91)92)22-24-85(37-58(95)96)25-23-84(21-19-82)36-57(93)94/h7-8,11-12,30-31,38-41,46-51,59,71H,9-10,13-29,32-37H2,1-6H3,(H2,68,87)(H2,69,97)(H,70,73)(H,72,103)(H,74,100)(H,75,90)(H,76,89)(H,77,88)(H,78,101)(H,79,102)(H,80,99)(H,81,98)(H,91,92)(H,93,94)(H,95,96)/t41-,46-,47-,48+,49-,50-,51-,59-/m0/s1 |
PubChem CID | 134152895 |
ChEMBL | CHEMBL3978062 |
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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