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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 | CHEMBL3891679 |
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Molecular formula | C80H115N19O20S |
IUPAC name | 2-[4-[2-[2-[2-[2-[[(2S)-1-[[(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]-1-oxo-3,3-diphenylpropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1694.97 |
Hydrogen bond acceptor | 26 |
Hydrogen bond donor | 17 |
XlogP | -6.3 |
Synonyms | N/A |
Inchi Key | IOGJWEVLAOGGRE-PUBDORAJSA-N |
Inchi ID | InChI=1S/C80H115N19O20S/c1-49(2)37-60(77(114)90-58(73(82)110)23-36-120-6)92-78(115)62(39-55-41-83-48-87-55)89-64(101)42-86-79(116)71(50(3)4)95-74(111)51(5)88-76(113)61(38-54-40-85-57-20-14-13-19-56(54)57)93-75(112)59(21-22-63(81)100)91-80(117)72(70(52-15-9-7-10-16-52)53-17-11-8-12-18-53)94-66(103)47-119-35-34-118-33-24-84-65(102)43-96-25-27-97(44-67(104)105)29-31-99(46-69(108)109)32-30-98(28-26-96)45-68(106)107/h7-20,40-41,48-51,58-62,70-72,85H,21-39,42-47H2,1-6H3,(H2,81,100)(H2,82,110)(H,83,87)(H,84,102)(H,86,116)(H,88,113)(H,89,101)(H,90,114)(H,91,117)(H,92,115)(H,93,112)(H,94,103)(H,95,111)(H,104,105)(H,106,107)(H,108,109)/t51-,58-,59-,60-,61-,62-,71-,72-/m0/s1 |
PubChem CID | 134136367 |
ChEMBL | CHEMBL3891679 |
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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