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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	5-hydroxytryptamine receptor 1D
Species	Homo sapiens (Human)
Gene	HTR1D
Synonym	Serotonin 1D alpha receptor serotonin receptor 1D HTRL Htr1db 5-HT-1D 5-HT-1D-alpha 5-HT1D 5-HT1D receptor 5-HT1Dalpha 5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled Gpcr14 HT1DA [ Show all ]
Disease	Acute migraine Epilepsy Migraine headaches Mood disorder Migraine Major depressive disorder Severe mood disorders [ Show all ]
Length	377
Amino acid sequence	MSPLNQSAEGLPQEASNRSLNATETSEAWDPRTLQALKISLAVVLSVITLATVLSNAFVLTTILLTRKLHTPANYLIGSLATTDLLVSILVMPISIAYTITHTWNFGQILCDIWLSSDITCCTASILHLCVIALDRYWAITDALEYSKRRTAGHAATMIAIVWAISICISIPPLFWRQAKAQEEMSDCLVNTSQISYTIYSTCGAFYIPSVLLIILYGRIYRAARNRILNPPSLYGKRFTTAHLITGSAGSSLCSLNSSLHEGHSHSAGSPLFFNHVKIKLADSALERKRISAARERKATKILGIILGAFIICWLPFFVVSLVLPICRDSCWIHPALFDFFTWLGYLNSLINPIIYTVFNEEFRQAFQKIVPFRKAS
UniProt	P28221
Protein Data Bank	N/A
GPCR-HGmod model	P28221
3D structure model	This predicted structure model is from GPCR-EXP P28221.
BioLiP	N/A
Therapeutic Target Database	T11072
ChEMBL	CHEMBL1983
IUPHAR	3
DrugBank	BE0000659

Ligand

Name	NSC95090
Molecular formula	C33H35N5O5
IUPAC name	N-(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-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	581.673
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	2.0
Synonyms	Ergotaman-3',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'.alpha.)- 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman # L000768 WLN: T C6656 1A P GN LM CUTT & & J G1 EVM-DT B565 CO EVN HVNTJ BQ D1 G1R AC1Q6NWK CAS_113-15-5 NCI60_042117 12'-Hydroxy-2'-methyl-5'.alpha.-(phenylmethyl)ergotaman-3',6',18-trione Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'.alpha.)- NSC_3251 MCULE-8198411013 XCGSFFUVFURLIX-UHFFFAOYSA-N (5'.alpha.)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione AN-22728 CHEMBL1982133 NSC-95090 5'-Benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman Ergoton-A [as succinate] SCHEMBL18134607 AC1L1FIK BDBM86529 N-[(2-Methyl-3,6-dioxo-5-benzyl-10b-hydroxyoctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine)-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydro-4,7-diazaacephenanthrylene-9-carboxamide [ Show all ]
Inchi Key	XCGSFFUVFURLIX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H35N5O5/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/h3-6,8-11,15,17,21,25-27,34,42H,7,12-14,16,18H2,1-2H3,(H,35,39)
PubChem CID	3251
ChEMBL	N/A
IUPHAR	N/A
BindingDB	86529
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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