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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 | CHEMBL3985283 |
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Molecular formula | C72H101N19O18S |
IUPAC name | 2-[4-[2-[[2-[[6-[[(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]naphthalen-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1552.78 |
Hydrogen bond acceptor | 24 |
Hydrogen bond donor | 17 |
XlogP | -6.7 |
Synonyms | N/A |
Inchi Key | GQQQHHKTOZNOIZ-KZUDXLDBSA-N |
Inchi ID | InChI=1S/C72H101N19O18S/c1-41(2)27-54(70(107)83-52(65(74)102)17-26-110-6)85-71(108)56(31-49-33-75-40-79-49)82-59(94)35-78-72(109)64(42(3)4)87-66(103)43(5)80-69(106)55(30-47-32-76-51-10-8-7-9-50(47)51)86-68(105)53(15-16-57(73)92)84-67(104)46-12-11-45-29-48(14-13-44(45)28-46)81-58(93)34-77-60(95)36-88-18-20-89(37-61(96)97)22-24-91(39-63(100)101)25-23-90(21-19-88)38-62(98)99/h7-14,28-29,32-33,40-43,52-56,64,76H,15-27,30-31,34-39H2,1-6H3,(H2,73,92)(H2,74,102)(H,75,79)(H,77,95)(H,78,109)(H,80,106)(H,81,93)(H,82,94)(H,83,107)(H,84,104)(H,85,108)(H,86,105)(H,87,103)(H,96,97)(H,98,99)(H,100,101)/t43-,52-,53-,54-,55-,56-,64-/m0/s1 |
PubChem CID | 134157296 |
ChEMBL | CHEMBL3985283 |
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 | 3.0 nM | None | ChEMBL |
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