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Name | Galanin receptor type 1 |
---|---|
Species | Homo sapiens (Human) |
Gene | GALR1 |
Synonym | GAL1-R GALNR GALNR1 GALR-1 GAL1 receptor |
Disease | Epileptic seizures |
Length | 349 |
Amino acid sequence | MELAVGNLSEGNASWPEPPAPEPGPLFGIGVENFVTLVVFGLIFALGVLGNSLVITVLARSKPGKPRSTTNLFILNLSIADLAYLLFCIPFQATVYALPTWVLGAFICKFIHYFFTVSMLVSIFTLAAMSVDRYVAIVHSRRSSSLRVSRNALLGVGCIWALSIAMASPVAYHQGLFHPRASNQTFCWEQWPDPRHKKAYVVCTFVFGYLLPLLLICFCYAKVLNHLHKKLKNMSKKSEASKKKTAQTVLVVVVVFGISWLPHHIIHLWAEFGVFPLTPASFLFRITAHCLAYSNSSVNPIIYAFLSENFRKAYKQVFKCHIRKDSHLSDTKESKSRIDTPPSTNCTHV |
UniProt | P47211 |
Protein Data Bank | N/A |
GPCR-HGmod model | P47211 |
3D structure model | This predicted structure model is from GPCR-EXP P47211. |
BioLiP | N/A |
Therapeutic Target Database | T78581 |
ChEMBL | CHEMBL4894 |
IUPHAR | 243 |
DrugBank | N/A |
Name | CHEMBL526889 |
---|---|
Molecular formula | C109H188N26O22 |
IUPAC name | (2S)-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-6-(hexadecanoylamino)-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-(methylamino)acetyl]amino]propanoyl]amino]butanoyl]amino]-4-methylpentanoyl]amino]butanediamide |
Molecular weight | 2214.86 |
Hydrogen bond acceptor | 28 |
Hydrogen bond donor | 29 |
XlogP | 4.2 |
Synonyms | BDBM50273363 |
Inchi Key | QGRWAHHXTRLEIO-IFALJCIQSA-N |
Inchi ID | InChI=1S/C109H188N26O22/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-46-91(140)118-56-37-31-45-82(97(145)124-77(95(116)143)40-26-32-51-110)128-100(148)80(43-29-35-54-113)126-98(146)78(41-27-33-52-111)125-99(147)79(42-28-34-53-112)127-101(149)81(44-30-36-55-114)129-102(150)83(57-67(2)3)130-103(151)84(58-68(4)5)131-105(153)86(60-72-47-49-74(138)50-48-72)122-93(142)65-120-96(144)70(8)121-108(156)89(66-136)134-106(154)88(62-90(115)139)132-104(152)85(59-69(6)7)133-109(157)94(71(9)137)135-107(155)87(123-92(141)64-117-10)61-73-63-119-76-39-25-24-38-75(73)76/h24-25,38-39,47-50,63,67-71,77-89,94,117,119,136-138H,11-23,26-37,40-46,51-62,64-66,110-114H2,1-10H3,(H2,115,139)(H2,116,143)(H,118,140)(H,120,144)(H,121,156)(H,122,142)(H,123,141)(H,124,145)(H,125,147)(H,126,146)(H,127,149)(H,128,148)(H,129,150)(H,130,151)(H,131,153)(H,132,152)(H,133,157)(H,134,154)(H,135,155)/t70-,71+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,94-/m0/s1 |
PubChem CID | 25180497 |
ChEMBL | CHEMBL526889 |
IUPHAR | N/A |
BindingDB | 50273363 |
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 |
---|---|---|---|
Ki | 41.5 nM | PMID19053761 | ChEMBL |
Ki | 42.0 nM | PMID19053761 | BindingDB |
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