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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	GR 89696 fumarate
Molecular formula	C23H29Cl2N3O7
IUPAC name	(E)-but-2-enedioic acid;methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
Molecular weight	530.399
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	None
Synonyms	gr89696 MFCD00274044 SAM001247087 (E)-but-2-enedioic acid; methyl 4-[2-(3,4-dichlorophenyl)acetyl]-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate AC1O5XZT G-133 GR 89696 HMS3267N18 MolPort-003-941-452 SMR000466287 126766-32-3 CCG-221876 GR 89696 fumarate salt, solid Methyl 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylate fumarate NCGC00261257-01 SR-01000075500-3 4-[(3,4-Dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester fumarate CPD000466287 HMS2051L20 MLS000758305 SCHEMBL1282478 1-((3,4-Dichlorophenyl)acetyl)-4-acetyl-2-(1-pyrrolidinylmethyl)piperazine AKOS024456628 GR 103545 J-005434 NC00310 SR-01000075500 4-([3,4-DICHLOROPHENYL]ACETYL)-3-(1-PYRROLIDINYLMETHYL)-1-PIPERAZINECARBOXYLIC ACID METHYL ESTER FUMARATE GR-89696 fumarate methyl 4-(2-(3,4-dichlorophenyl)acetyl)-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate fumarate RT-013118 Tox21_500572 (1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester fumarate 4-[(3,4-Dichlorophenyl)acetyl]-3-(1-pyrrolidinylmethyl)-1-piperazinecarboxylic acid methyl ester fumarate salt EU-0100572 HMS3261D06 MLS001424140 SCHEMBL1282479 1-Piperazinecarboxylic acid, 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester, (E)-2-butenedioate (1:1) CCG-101060 GR 85571 GR 89696 fumarate salt LP00572 NCGC00093956-01 SR-01000075500-1 4-[(3,4-Dichlorophenyl)acetyl]-3- CHEMBL1256865 [ Show all ]
Inchi Key	ABTNETSDXZBJTE-WLHGVMLRSA-N
Inchi ID	InChI=1S/C19H25Cl2N3O3.C4H4O4/c1-27-19(26)23-8-9-24(15(13-23)12-22-6-2-3-7-22)18(25)11-14-4-5-16(20)17(21)10-14;5-3(6)1-2-4(7)8/h4-5,10,15H,2-3,6-9,11-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PubChem CID	6442840
ChEMBL	CHEMBL1256865
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
1165	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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