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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 | SCHEMBL14959373 |
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Molecular formula | C94H137N27O26S |
IUPAC name | 2-[4-[2-[[2-[4-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-4-amino-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-4-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]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]anilino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid |
Molecular weight | 2093.35 |
Hydrogen bond acceptor | 33 |
Hydrogen bond donor | 26 |
XlogP | -11.3 |
Synonyms | N/A |
Inchi Key | HRKBDZHDHRXEDL-BDCXEBKLSA-N |
Inchi ID | InChI=1S/C94H137N27O26S/c1-52(2)37-67(91(144)110-63(83(99)136)26-36-148-6)114-92(145)70(40-59-43-100-51-105-59)108-77(128)46-104-94(147)82(53(3)4)117-84(137)54(5)106-90(143)69(39-57-42-101-62-12-8-7-11-61(57)62)116-89(142)66(23-25-73(97)124)113-93(146)71(41-74(98)125)109-76(127)45-103-86(139)68(38-55-14-20-60(122)21-15-55)115-87(140)64(13-9-10-27-95)112-88(141)65(22-24-72(96)123)111-85(138)56-16-18-58(19-17-56)107-75(126)44-102-78(129)47-118-28-30-119(48-79(130)131)32-34-121(50-81(134)135)35-33-120(31-29-118)49-80(132)133/h7-8,11-12,14-21,42-43,51-54,63-71,82,101,122H,9-10,13,22-41,44-50,95H2,1-6H3,(H2,96,123)(H2,97,124)(H2,98,125)(H2,99,136)(H,100,105)(H,102,129)(H,103,139)(H,104,147)(H,106,143)(H,107,126)(H,108,128)(H,109,127)(H,110,144)(H,111,138)(H,112,141)(H,113,146)(H,114,145)(H,115,140)(H,116,142)(H,117,137)(H,130,131)(H,132,133)(H,134,135)/t54-,63-,64-,65-,66-,67-,68-,69-,70-,71-,82-/m0/s1 |
PubChem CID | 89574678 |
ChEMBL | CHEMBL3949652 |
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 | 10.0 nM | None | ChEMBL |
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