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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 | CHEMBL3963362 |
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Molecular formula | C73H102N18O17S |
IUPAC name | 2-[4-[2-[[4-[3-[[(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]phenyl]methylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1535.79 |
Hydrogen bond acceptor | 23 |
Hydrogen bond donor | 16 |
XlogP | -5.7 |
Synonyms | N/A |
Inchi Key | NCZDGBCUJZGZLY-MHQPYDJGSA-N |
Inchi ID | InChI=1S/C73H102N18O17S/c1-43(2)30-56(71(106)83-54(66(75)101)20-29-109-6)85-72(107)58(33-51-36-76-42-80-51)82-60(93)37-79-73(108)65(44(3)4)87-67(102)45(5)81-70(105)57(32-50-35-77-53-13-8-7-12-52(50)53)86-69(104)55(18-19-59(74)92)84-68(103)49-11-9-10-48(31-49)47-16-14-46(15-17-47)34-78-61(94)38-88-21-23-89(39-62(95)96)25-27-91(41-64(99)100)28-26-90(24-22-88)40-63(97)98/h7-17,31,35-36,42-45,54-58,65,77H,18-30,32-34,37-41H2,1-6H3,(H2,74,92)(H2,75,101)(H,76,80)(H,78,94)(H,79,108)(H,81,105)(H,82,93)(H,83,106)(H,84,103)(H,85,107)(H,86,104)(H,87,102)(H,95,96)(H,97,98)(H,99,100)/t45-,54-,55-,56-,57-,58-,65-/m0/s1 |
PubChem CID | 134151148 |
ChEMBL | CHEMBL3963362 |
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 | 2.5 nM | None | ChEMBL |
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