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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	Vismodegib
Molecular formula	C19H14Cl2N2O3S
IUPAC name	2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
Molecular weight	421.292
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.8
Synonyms	FT-0675833 GDC-0449, GDC0449, GDC 0449, 879085-55-9 HMS3604K16 2-Chloranyl-~{n}-(4-Chloranyl-3-Pyridin-2-Yl-Phenyl)-4-Methylsulfonyl-Benzamide KS-000000BH 2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide NSC 747691 QCR-40 AK-77261 SMR004703564 BCP01715 VIS C538724000 Vismodegib; HhAntag 691 D09992 GDC-0449 GDC-449 HY-10440 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methyl sulfonyl)benzamide MLS006012035 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide NSC747691 AB0008125 RG-3616 ANW-60962 ST24040458 BDBM50249522 Vismodegib (SHH inhibitor) CHEMBL473417 ZINC40899447 DB08828 Erivedge (TN) GDC-0449(Vismodegib) Hh-Antag691 KB-308771 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide NCGC00242497-02 4CA-1325 PubChem19137 AC-26969 SC-87729 AX8167197 UNII-25X868M3DS BPQMGSKTAYIVFO-UHFFFAOYSA-N Vismodegib, free base CUR-691 GD 0449\|\|\|2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide GDC-0449,Vismodegib HMS3654E17 2-chloro-n-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)benzamide MCULE-6680076172 2-chloro-N-[4-chloro-3-(2-pyridyl)phenyl]-4-methylsulfonyl-benzamide NSC-747691 879085-55-9 R 3616 AKOS015966534 SR-01000941574 BCP9000713 CHEBI:66903 vismodegibum D0LB7J GDC-0449 (Vismodegib) GDC0449 J-509076 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide MolPort-009-679-417 2-chloro-N~1~-[4-chloro-3-(2-pyridyl)phenyl]-4-(methylsulfonyl)benzamide NSC755986 AB01565813_02 RL05479 AOB1040 SW218087-2 Benzamide, 2-chloro-N-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)- Vismodegib (USAN/INN) CS-0255 DTXSID40236689 EX-A2178 GDC-0449(Vismodegib)/GDC0449 HhAntag691 085G559 KB-81450 2-CHLORO-N-[4-CHLORO-3-(2-PYRIDINYL)PHENYL]-4-(METHYLSULFONYL)-BENZAMIDE NCGC00242497-06 Q-2305 AJ-103831 SCHEMBL302587 BC660083 V-4050 C19H14Cl2N2O3S Vismodegib; GDC-0449 D03EDQ GDC 0449 GDC-0449,Vismodegib, HhAntag691 HSDB 8130 2-Chloro-N-(4-chloro-3-(2-pyridl)phenyl)-4-(methylsulfonyl)benzamide methanesulfonylbenzamide 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4- NSC-755986 A10467 R-3616 AN-471 SR-01000941574-1 BCPP000223 Vismodegib (GDC-0449) X4669 Erivedge GDC-0449 - Selumetinib GTPL6975 J90022 2-chloro-N-(4-chloro-3-pyridin-2-yl-phenyl)-4-methanesulfonyl-benzamide NCGC00242497-01 25X868M3DS PB15086 ABP000894 s1082 AS-14066 TC-149707 BG0661 Vismodegib [USAN:INN] CTK8B8648 [ Show all ]
Inchi Key	BPQMGSKTAYIVFO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)
PubChem CID	24776445
ChEMBL	CHEMBL473417
IUPHAR	6975
BindingDB	50249522
DrugBank	DB08828
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
29800	Smoothened homolog	Q99835	SMO	Homo sapiens (Human)	787
29801	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793

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