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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	CHEMBL295311
Molecular formula	C33H37ClN4O5
IUPAC name	methyl 1-[(2S)-1-[4-[[2-butyl-4-chloro-5-(3-methoxy-3-oxopropyl)imidazol-1-yl]methyl]anilino]-1-oxo-3-phenylpropan-2-yl]pyrrole-2-carboxylate
Molecular weight	605.132
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	6.3
Synonyms	BDBM50047939 SCHEMBL9589023 1-[(S)-2-[[4-[(2-Butyl-4-chloro-5-(3-oxo-3-methoxypropyl)-1H-imidazol-1-yl)methyl]phenyl]amino]-2-oxo-1-benzylethyl]-1H-pyrrole-2-carboxylic acid methyl ester 1-(1-{4-[2-Butyl-4-chloro-5-(2-methoxycarbonyl-ethyl)-imidazol-1-ylmethyl]-phenylcarbamoyl}-2-phenyl-ethyl)-1H-pyrrole-2-carboxylic acid methyl ester
Inchi Key	CRQSRGYHEVIVBI-NDEPHWFRSA-N
Inchi ID	InChI=1S/C33H37ClN4O5/c1-4-5-13-29-36-31(34)26(18-19-30(39)42-2)38(29)22-24-14-16-25(17-15-24)35-32(40)28(21-23-10-7-6-8-11-23)37-20-9-12-27(37)33(41)43-3/h6-12,14-17,20,28H,4-5,13,18-19,21-22H2,1-3H3,(H,35,40)/t28-/m0/s1
PubChem CID	44293466
ChEMBL	CHEMBL295311
IUPHAR	N/A
BindingDB	50047939
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
49025	Type-1B angiotensin II receptor	P29089	Agtr1b	Rattus norvegicus (Rat)	359

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