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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 | CHEMBL3917120 |
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Molecular formula | C73H105N21O18S |
IUPAC name | 2-[4-[2-[4-[3-[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]-4-oxoquinazolin-6-yl]piperazin-1-yl]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1596.83 |
Hydrogen bond acceptor | 26 |
Hydrogen bond donor | 15 |
XlogP | -8.1 |
Synonyms | N/A |
Inchi Key | HMVACUVLLXEMAE-GLSSZPEYSA-N |
Inchi ID | InChI=1S/C73H105N21O18S/c1-43(2)29-55(70(109)84-53(66(75)105)15-28-113-6)85-71(110)57(31-47-34-76-41-79-47)83-59(96)35-78-72(111)65(44(3)4)87-67(106)45(5)81-69(108)56(30-46-33-77-51-10-8-7-9-49(46)51)86-68(107)54(13-14-58(74)95)82-60(97)36-94-42-80-52-12-11-48(32-50(52)73(94)112)92-24-26-93(27-25-92)61(98)37-88-16-18-89(38-62(99)100)20-22-91(40-64(103)104)23-21-90(19-17-88)39-63(101)102/h7-12,32-34,41-45,53-57,65,77H,13-31,35-40H2,1-6H3,(H2,74,95)(H2,75,105)(H,76,79)(H,78,111)(H,81,108)(H,82,97)(H,83,96)(H,84,109)(H,85,110)(H,86,107)(H,87,106)(H,99,100)(H,101,102)(H,103,104)/t45-,53-,54-,55-,56-,57-,65-/m0/s1 |
PubChem CID | 134142803 |
ChEMBL | CHEMBL3917120 |
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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