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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	ketoconazole
Molecular formula	C26H28Cl2N4O4
IUPAC name	1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
Molecular weight	531.434
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.3
Synonyms	CS-0016830 Feoris, Nizoral Ketoisdin MolPort-006-167-686 Nizoral (+-)-cis-1-Acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine Orifungal 1-[4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one R-41400 65277-42-1 UNII-R9400W927I component XMAYWYJOQHXEEK-ZEQKJWHPSA-N CAS-65277-42-1 DIO-902 HSDB 7447 Ketoconazole [USAN:USP:INN:BAN:JAN] Levoketoconazole NCGC00016907-02 Nizoral a-D Shampoo (2S,4R)-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine Piperazine, (-)-1-acetyl-4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]- 142128-59-4 Sebazole ACT02655 ZINC643153 CHEMBL295698 COR003 EINECS 265-667-4 Ketoconazol Ketoconazolum [INN-Latin] Lopac-K-1003 NCGC00161836-01 (+)-(2R,4S)-Ketoconazole Normocort 1-(4-(4-(((2S,4R)-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethanone Piperazine, 1-acetyl-4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-, cis- 2S,4R-Ketoconazole Terzolin Brizoral D00351 Fungarest Ketoconazole (JP17/USP) Ketozole NCGC00015577-01 Nizoral (TN) (-)-(2S,4R)-Ketoconazole Orifungal M 1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone SB18976 72093-26-6 XMAYWYJOQHXEEK-ZEQKJWHPSA-N CHEBI:47518 DS-6676 HY-B0105B Ketoconazole, (2S,4R)- Levoketoconazole (USAN/INN) NCGC00016907-03 Nizoral Cream (2S,4R)-ketoconazole piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H- imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis- 2DJ8R0NT7K SMR001819845 AKOS022172422 cis-1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H- imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-ketoconazol CORT-001 Ethanone, 1-(4-(4-(((2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-1-piperazinyl)- Ketoconazol [INN-Spanish] Ketoderm MLS006010227 NCGC00161836-02 (+-)-cis-1-acetyl-4-(p-((2-(2,4-dichlorophenyl)-2-(imidazol-1- ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine Onofin K 1-acetyl-4-(4-{[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine R 41,400 UNII-2DJ8R0NT7K BRN 4303081 D10950 Fungoral Ketoconazole [USAN:BAN:INN:JAN] KS-00000L5J NCGC00016907-01 Nizoral a-D (-)-Ketoconazole Panfungol 142128-57-2 SCHEMBL41473 AC1L2ICI Xolegel (TN) DTXSID60161949 Ketocanazole Ketoconazolum Levoketoconazole [USAN] NCGC00016907-04 Nizoral Shampoo 1-(4-(4-(((2S,4R)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethan-1-one Piperazine, 1-acetyl-4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis- 2S,4R Ketoconazole Teryzolin BDBM31768 COR-003 [ Show all ]
Inchi Key	XMAYWYJOQHXEEK-ZEQKJWHPSA-N
Inchi ID	InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m1/s1
PubChem CID	47576
ChEMBL	CHEMBL295698
IUPHAR	N/A
BindingDB	31768
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
395418	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
457412	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
395420	Alpha-1B adrenergic receptor	P15823	Adra1b	Rattus norvegicus (Rat)	515
395424	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
395417	Alpha-2B adrenergic receptor	P18089	ADRA2B	Homo sapiens (Human)	450
395410	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
395415	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
395419	Follicle-stimulating hormone receptor	P20395	Fshr	Rattus norvegicus (Rat)	692
395414	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
395409	Gonadotropin-releasing hormone receptor	P30969	Gnrhr	Rattus norvegicus (Rat)	327
395421	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359
395413	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
395411	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
395422	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
395412	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
395423	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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