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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 | SCHEMBL1252581 |
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Molecular formula | C67H98N18O17S |
IUPAC name | 2-[4-[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]methylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1459.69 |
Hydrogen bond acceptor | 23 |
Hydrogen bond donor | 16 |
XlogP | -7.4 |
Synonyms | CHEMBL3951758 |
Inchi Key | KPCUGRDVNGRIAQ-CADXXNFBSA-N |
Inchi ID | InChI=1S/C67H98N18O17S/c1-39(2)27-50(65(100)77-48(60(69)95)17-26-103-6)79-66(101)52(29-45-32-70-38-74-45)76-54(87)33-73-67(102)59(40(3)4)81-61(96)41(5)75-64(99)51(28-44-31-71-47-10-8-7-9-46(44)47)80-63(98)49(15-16-53(68)86)78-62(97)43-13-11-42(12-14-43)30-72-55(88)34-82-18-20-83(35-56(89)90)22-24-85(37-58(93)94)25-23-84(21-19-82)36-57(91)92/h7-14,31-32,38-41,48-52,59,71H,15-30,33-37H2,1-6H3,(H2,68,86)(H2,69,95)(H,70,74)(H,72,88)(H,73,102)(H,75,99)(H,76,87)(H,77,100)(H,78,97)(H,79,101)(H,80,98)(H,81,96)(H,89,90)(H,91,92)(H,93,94)/t41-,48-,49-,50-,51-,52-,59-/m0/s1 |
PubChem CID | 87217835 |
ChEMBL | CHEMBL3951758 |
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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