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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	Dihydroergotamine mesylate
Molecular formula	C34H41N5O8S
IUPAC name	(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
Molecular weight	679.789
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	None
Synonyms	(6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-Benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxa AC1Q6WD6 CHEMBL1200517 Dihydroergotamine (mesylate) Dihydroergotamine monomethanesulfonate HMS3261G15 MT 300 SR-01000075382 81AXN7R2QT AN-21195 D.H.E. 45 Ergotamine, 9,10-dihydro-, monomethanesulfonate (salt) I14-101170 NSC759848 SR-01000597746 Tox21_500357 (10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman mesylate 9,10-dihydroergotamine methanesulfonate CHEBI:59756 DHE-45 Dihydroergotamine mesylate [USAN] HMS1920G16 mide methanesulfonate SCHEMBL40843 511-12-6 (Parent) ADYPXRFPBQGGAH-UMYZUSPBSA-N CS-2903 Dihydroergotamine mesilate Dihytamine HMS501N14 NCGC00261042-01 SR-01000075382-1 9,10-Dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione mesylate C33H37N5O5.CH4O3S D02211 Dihydroergotamine mesylate (USP) Ergotoman-3',6',18-trione,9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'alpha)-, monomethanesulfonate (salt) LP00357 Pharmakon1600-01500248 SR-01000597746-1 UNII-81AXN7R2QT (10alphaH)-5'alpha-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman methanesulfonate AC1L2FO7 Dihydergot Dihydroergotamine methanesulfonate HMS2094K05 MolPort-003-666-163 SPECTRUM1500248 6190-39-2 AKOS024282478 D 2763 Dihydroergotamine mesilate (JP17) EINECS 228-235-6 HY-B0670A NSC-759848 SR-01000075382-3 9,10-Dihydroergotamine mesylate CCG-39548 DETMS Dihydroergotamine mesylate [USAN:USP] EU-0100357 LS-64558 rboxamide methanesulfonate(salt) ST056346 [ Show all ]
Inchi Key	ADYPXRFPBQGGAH-UMYZUSPBSA-N
Inchi ID	InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1
PubChem CID	71171
ChEMBL	CHEMBL1200517
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
3229	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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