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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Melatonin receptor type 1A
Species	Ovis aries (Sheep)
Gene	MTNR1A
Synonym	Mel-1A-R Mel1a receptor
Disease	N/A for non-human GPCRs
Length	366
Amino acid sequence	MAGRLWGSPGGTPKGNGSSALLNVSQAAPGAGDGVRPRPSWLAATLASILIFTIVVDIVGNLLVVLSVYRNKKLRNAGNVFVVSLAVADLLVAVYPYPLALASIVNNGWSLSSLHCQLSGFLMGLSVIGSVFSITGIAINRYCCICHSLRYGKLYSGTNSLCYVFLIWTLTLVAIVPNLCVGTLQYDPRIYSCTFTQSVSSAYTIAVVVFHFIVPMLVVVFCYLRIWALVLQVRWKVKPDNKPKLKPQDFRNFVTMFVVFVLFAICWAPLNFIGLVVASDPASMAPRIPEWLFVASYYMAYFNSCLNAIIYGLLNQNFRQEYRKIIVSLCTTKMFFVDSSNHVADRIKRKPSPLIANHNLIKVDSV
UniProt	P48040
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	N/A
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	17994-17-1
Molecular formula	C12H14N2O2
IUPAC name	1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]ethanone
Molecular weight	218.256
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	0.8
Synonyms	1-[3-(2-aminoethyl)-5-hydroxyindol-1-yl]ethanone BDBM82271 NSC92535 TR-003460 DTXSID40293833 1-(3-(2-Aminoethyl)-5-hydroxy-1H-indol-1-yl)ethanone ACM17994171 Indol-5-ol, 1-acetyl-3-(2-aminoethyl)- CAS_260803 NSC_260803 ZINC1598249 AC1L63WS Ethanone,1-[3-(2-aminoethyl)-5-hydroxy-1H-indol-1-yl]- 1-[3-(2-aminoethyl)-5-hydroxy-indol-1-yl]ethanone AKOS030573918 NSC-92535 1H-Indol-5-ol, 1-acetyl-3-(2-aminoethyl)- CTK4D7436 SCHEMBL4341029 AC1Q5KHC FT-0629615 [ Show all ]
Inchi Key	AZRQSPSPOGVDRQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H14N2O2/c1-8(15)14-7-9(4-5-13)11-6-10(16)2-3-12(11)14/h2-3,6-7,16H,4-5,13H2,1H3
PubChem CID	260803
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82271
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	140.0 nM	PMID7946354	BindingDB

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