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GLASS

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GPCR

Name	Neuropeptide Y receptor type 1
Species	Homo sapiens (Human)
Gene	NPY1R
Synonym	neuropeptide Y receptor type 1 NPY-Y1 receptor NPY1-R FC5 Y1 receptor Y1-R [ Show all ]
Disease	Hypertension; Obesity; Heart disease Obesity Eating disorders reduction in food intake obesity anxiety Eating disorders reduction in food intake Eating disorder Cardiovascular disorder Hypertension [ Show all ]
Length	384
Amino acid sequence	MNSTLFSQVENHSVHSNFSEKNAQLLAFENDDCHLPLAMIFTLALAYGAVIILGVSGNLALIIIILKQKEMRNVTNILIVNLSFSDLLVAIMCLPFTFVYTLMDHWVFGEAMCKLNPFVQCVSITVSIFSLVLIAVERHQLIINPRGWRPNNRHAYVGIAVIWVLAVASSLPFLIYQVMTDEPFQNVTLDAYKDKYVCFDQFPSDSHRLSYTTLLLVLQYFGPLCFIFICYFKIYIRLKRRNNMMDKMRDNKYRSSETKRINIMLLSIVVAFAVCWLPLTIFNTVFDWNHQIIATCNHNLLFLLCHLTAMISTCVNPIFYGFLNKNFQRDLQFFFNFCDFRSRDDDYETIAMSTMHTDVSKTSLKQASPVAFKKINNNDDNEKI
UniProt	P25929
Protein Data Bank	5zbh
GPCR-HGmod model	P25929
3D structure model	This structure is from PDB ID 5zbh.
BioLiP	BL0411971
Therapeutic Target Database	T89213
ChEMBL	CHEMBL4777
IUPHAR	305
DrugBank	N/A

Ligand

Name	MLS000060886
Molecular formula	C20H16N2O2
IUPAC name	2-[[2-(2-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
Molecular weight	316.36
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.0
Synonyms	ST4004532 6-[3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one BRD-K52510091-001-01-8 HMS2425F06 (6E)-6-[3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-ylidene]cyclohexa-2,4-dien-1-one A0348/0016042 CBKinase1_012441 MolPort-002-111-403 SR-01000508344 2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol AKOS001711824 CHEMBL1567983 STK021091 (6E)-6-(3-salicyl-1H-benzimidazol-2-ylidene)cyclohexa-2,4-dien-1-one CBDivE_008356 MCULE-8920412113 1-(2'-hydroxybenzyl)-2-(2'-hydroxyphenyl) benzimidazole AC1NU0WN CHEBI:121951 Oprea1_682577 SR-01000508344-1 2-{[2-(2-hydroxyphenyl)benzimidazolyl]methyl}phenol BDBM61780 cid_5392294 ZINC95788057 (6E)-6-[3-[(2-hydroxyphenyl)methyl]-1H-benzimidazol-2-ylidene]-1-cyclohexa-2,4-dienone 85573-12-2 CBKinase1_000041 1-(2-Hydroxybenzyl)-2-(2-hydroxyphenyl)-1H-benzoimidazole AC1O9WC5 SMR000069114 [ Show all ]
Inchi Key	AGSGFBQWNNZFBC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H16N2O2/c23-18-11-5-1-7-14(18)13-22-17-10-4-3-9-16(17)21-20(22)15-8-2-6-12-19(15)24/h1-12,23-24H,13H2
PubChem CID	682797
ChEMBL	CHEMBL1567983
IUPHAR	N/A
BindingDB	61780
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	15631.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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