You can:
Name | Gastrin-releasing peptide receptor |
---|---|
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 | CHEMBL3894747 |
---|---|
Molecular formula | C68H100N20O18S |
IUPAC name | 2-[4-[2-[[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]phenyl]hydrazinyl]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1517.73 |
Hydrogen bond acceptor | 25 |
Hydrogen bond donor | 18 |
XlogP | -7.1 |
Synonyms | SCHEMBL16301394 |
Inchi Key | GNUPALQEGZLPIC-PHDXWTAFSA-N |
Inchi ID | InChI=1S/C68H100N20O18S/c1-39(2)27-50(66(104)78-48(61(70)99)17-26-107-6)80-67(105)52(29-45-31-71-38-75-45)77-54(90)32-74-68(106)60(40(3)4)82-62(100)41(5)76-65(103)51(28-43-30-72-47-10-8-7-9-46(43)47)81-64(102)49(15-16-53(69)89)79-63(101)42-11-13-44(14-12-42)83-84-55(91)33-73-56(92)34-85-18-20-86(35-57(93)94)22-24-88(37-59(97)98)25-23-87(21-19-85)36-58(95)96/h7-14,30-31,38-41,48-52,60,72,83H,15-29,32-37H2,1-6H3,(H2,69,89)(H2,70,99)(H,71,75)(H,73,92)(H,74,106)(H,76,103)(H,77,90)(H,78,104)(H,79,101)(H,80,105)(H,81,102)(H,82,100)(H,84,91)(H,93,94)(H,95,96)(H,97,98)/t41-,48-,49-,50-,51-,52-,60-/m0/s1 |
PubChem CID | 117745216 |
ChEMBL | CHEMBL3894747 |
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 | 13.0 nM | None | ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218