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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 | SCHEMBL1251302 |
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Molecular formula | C68H100N18O18S |
IUPAC name | 2-[4-[2-[2-[4-[[(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]carbamoyl]phenoxy]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1489.72 |
Hydrogen bond acceptor | 24 |
Hydrogen bond donor | 16 |
XlogP | -7.2 |
Synonyms | CHEMBL3900523 |
Inchi Key | AQLOVZAHQIIXTC-SEUBIJBUSA-N |
Inchi ID | InChI=1S/C68H100N18O18S/c1-40(2)29-51(66(101)78-49(61(70)96)17-28-105-6)80-67(102)53(31-45-33-71-39-75-45)77-55(88)34-74-68(103)60(41(3)4)82-62(97)42(5)76-65(100)52(30-44-32-73-48-10-8-7-9-47(44)48)81-64(99)50(15-16-54(69)87)79-63(98)43-11-13-46(14-12-43)104-27-18-72-56(89)35-83-19-21-84(36-57(90)91)23-25-86(38-59(94)95)26-24-85(22-20-83)37-58(92)93/h7-14,32-33,39-42,49-53,60,73H,15-31,34-38H2,1-6H3,(H2,69,87)(H2,70,96)(H,71,75)(H,72,89)(H,74,103)(H,76,100)(H,77,88)(H,78,101)(H,79,98)(H,80,102)(H,81,99)(H,82,97)(H,90,91)(H,92,93)(H,94,95)/t42-,49-,50-,51-,52-,53-,60-/m0/s1 |
PubChem CID | 87217644 |
ChEMBL | CHEMBL3900523 |
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 | 5.0 nM | None | ChEMBL |
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