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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 | CHEMBL3917426 |
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Molecular formula | C70H112N20O21S2 |
IUPAC name | (2S)-2-[[2-[2-[2-[[2-[2-[2-[[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-N-[(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]pentanediamide |
Molecular weight | 1633.91 |
Hydrogen bond acceptor | 25 |
Hydrogen bond donor | 19 |
XlogP | -4.4 |
Synonyms | N/A |
Inchi Key | BGIDNMHEIBRTNX-XEVOCAJGSA-N |
Inchi ID | InChI=1S/C70H112N20O21S2/c1-40(2)26-50(67(104)85-48(62(72)99)16-25-112-9)86-68(105)52(28-45-30-73-38-79-45)83-57(95)32-78-70(107)61(41(3)4)89-63(100)42(5)81-66(103)51(27-44-29-76-47-13-11-10-12-46(44)47)87-65(102)49(14-15-55(71)93)82-60(98)36-111-24-22-109-20-18-75-59(97)35-110-23-21-108-19-17-74-56(94)31-77-64(101)54(37-113-39-80-43(6)92)88-69(106)53(34-91)84-58(96)33-90(7)8/h10-13,29-30,38,40-42,48-54,61,76,91H,14-28,31-37,39H2,1-9H3,(H2,71,93)(H2,72,99)(H,73,79)(H,74,94)(H,75,97)(H,77,101)(H,78,107)(H,80,92)(H,81,103)(H,82,98)(H,83,95)(H,84,96)(H,85,104)(H,86,105)(H,87,102)(H,88,106)(H,89,100)/t42-,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1 |
PubChem CID | 134143380 |
ChEMBL | CHEMBL3917426 |
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 |
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IC50 | 11.5 nM | None | ChEMBL |
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