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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 | CHEMBL3974709 |
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Molecular formula | C69H101N19O18S |
IUPAC name | 2-[4-[2-[2-[[4-[[(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]benzoyl]amino]ethylamino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 1516.74 |
Hydrogen bond acceptor | 24 |
Hydrogen bond donor | 17 |
XlogP | -7.9 |
Synonyms | SCHEMBL16301387 |
Inchi Key | OCYFHSSIZNBUGV-SEUBIJBUSA-N |
Inchi ID | InChI=1S/C69H101N19O18S/c1-40(2)29-51(67(104)80-49(61(71)98)17-28-107-6)82-68(105)53(31-46-33-72-39-77-46)79-55(90)34-76-69(106)60(41(3)4)84-62(99)42(5)78-66(103)52(30-45-32-75-48-10-8-7-9-47(45)48)83-65(102)50(15-16-54(70)89)81-64(101)44-13-11-43(12-14-44)63(100)74-19-18-73-56(91)35-85-20-22-86(36-57(92)93)24-26-88(38-59(96)97)27-25-87(23-21-85)37-58(94)95/h7-14,32-33,39-42,49-53,60,75H,15-31,34-38H2,1-6H3,(H2,70,89)(H2,71,98)(H,72,77)(H,73,91)(H,74,100)(H,76,106)(H,78,103)(H,79,90)(H,80,104)(H,81,101)(H,82,105)(H,83,102)(H,84,99)(H,92,93)(H,94,95)(H,96,97)/t42-,49-,50-,51-,52-,53-,60-/m0/s1 |
PubChem CID | 117745209 |
ChEMBL | CHEMBL3974709 |
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 | 7.5 nM | None | ChEMBL |
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