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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	clobenpropit
Molecular formula	C14H17ClN4S
IUPAC name	3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate
Molecular weight	308.828
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.0
Synonyms	3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]carbamimidothioate C14H17ClN4S L000192 NCGC00024770-01 SCHEMBL49050 ZINC1538319 AC1Q3NI0 Carbamimidothioic acid,N-[(4-chlorophenyl)methyl]-, 3-(1H-imidazol-5-yl)propyl ester DTXSID3043738 MLS001424295 PDSP2_000535 Tocris-0752 3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate BDBM50214615 HMS3394B07 N'-[(4-chlorophenyl)methyl]-1-[3-(3H-imidazol-4-yl)propylsulfanyl]methanimidamide SAM001247107 Vuf-9153 C17934 CPD000469632 L010032 NCGC00024770-02 SCHEMBL8312286 3-(1H-imidazol-4-yl)propyl ((4-chlorophenyl)methyl)carbamimidothioate AKOS025405026 CCG-101167 GTPL1223 MolPort-009-019-361 RKU631JF4H UNII-RKU631JF4H 3-(1h-imidazol-5-yl)propyl n'-(4-chlorobenzyl)carbamimidothioate BRD-K71430621-303-01-5 CHEMBL14690 KS-0000002Y NC00417 SCHEMBL19733457 VUF9153 145231-45-4 AC1L1EH2 Carbamimidothioic acid, ((4-chlorophenyl)methyl)-, 3-(1H-imidazol-4-yl)propyl ester D0T8OD LS-173240 PDSP1_000537 SMR000469632 3-(1H-imidazol-4-yl)propyl 4-chlorobenzylcarbamimidothioate BDBM22541 CHEBI:64177 HMS2052B07 N''''-[(4-chlorophenyl)methyl]{[3-(1H-imidazol-5-yl)propyl]sulfanyl}methanimidamide S-(3-(4(5)-Imidazolyl))propyl-N-(4-chlorobenzyl)isothiourea Vuf 9153 [ Show all ]
Inchi Key	UCAIEVHKDLMIFL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
PubChem CID	2790
ChEMBL	CHEMBL14690
IUPHAR	1223
BindingDB	22541, 50214615
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
333135	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
333131	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462
333130	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
333134	Histamine H1 receptor	P31389	HRH1	Cavia porcellus (Guinea pig)	488
333129	Histamine H2 receptor	P25021	HRH2	Homo sapiens (Human)	359
333133	Histamine H2 receptor	P47747	HRH2	Cavia porcellus (Guinea pig)	359
333125	Histamine H3 receptor	Q9Y5N1	HRH3	Homo sapiens (Human)	445
333127	Histamine H3 receptor	Q9JI35	HRH3	Cavia porcellus (Guinea pig)	445
333128	Histamine H3 receptor	P58406	Hrh3	Mus musculus (Mouse)	445
333132	Histamine H3 receptor	Q9QYN8	Hrh3	Rattus norvegicus (Rat)	445
333126	Histamine H4 receptor	Q9H3N8	HRH4	Homo sapiens (Human)	390
554928	Histamine H4 receptor	Q91ZY2	Hrh4	Mus musculus (Mouse)	391
554929	Histamine H4 receptor	Q91ZY1	Hrh4	Rattus norvegicus (Rat)	391

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