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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	122507-47-5
Molecular formula	C30H38ClN5O7S2
IUPAC name	(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight	680.232
Hydrogen bond acceptor	10
Hydrogen bond donor	7
XlogP	0.0
Synonyms	(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(4-chlorophenyl)methyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid 2,5-Penicillamine-4-(4-chlorophenylalanine)-enkephalin CTK4B3138 FT-0771979 (D-Pen2,5, pCl-Phe4)enkephalin AC1Q3NI5 Dpdp(Cl)E [pCl-Phe4]-DPDPE (4S,7S,13S)-13-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-7-(4-chlorobenzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid Enkephalin, pen(2,5)-4-chloro-phe(4)- (4s,7s,13s)-7-(4-chlorobenzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-13-(l-tyrosylamino)-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid D-Valine, L-tyrosyl-3-mercapto-D-valylglycyl-4-chloro-L-phenylalanyl-3-mercapto-, cyclic (2-5)-disulfide ZINC3935152 (D-Pen2,5,P-Cl-phe4)-enkephalin BDBM50068133 DTXSID30153634 (4S,7S,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-(4-chloro-benzyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid 2,5-Pen-4-(4-chloro-phe)-enkephalin CHEMBL143939 Enkephalin, penicillamine(2,5)-4-chlorophenylalanine(4)- (D-Pen(2)-pcl-phe(4)-D-pen(5))enkephalin AC1L4M1R D-Valine,L-tyrosyl-3-mercapto-D-valylglycyl-4-chloro-L-phenylalanyl-3-mercapto-, cyclic(2®5)-disulfide [D-Pen2,5, p-Cl-Phe4]-Enkephalin (D-PEN2,P-CHLORO-PHE4,D-PEN5)-ENKEPHALIN C-54324 Enkephalin, D-pen(2), D-pen(5), p-Cl-phe(4) [ Show all ]
Inchi Key	VTVUYFFDQHWCTJ-WMIMKTLMSA-N
Inchi ID	InChI=1S/C30H38ClN5O7S2/c1-29(2)23(35-25(39)20(32)13-16-7-11-19(37)12-8-16)27(41)33-15-22(38)34-21(14-17-5-9-18(31)10-6-17)26(40)36-24(28(42)43)30(3,4)45-44-29/h5-12,20-21,23-24,37H,13-15,32H2,1-4H3,(H,33,41)(H,34,38)(H,35,39)(H,36,40)(H,42,43)/t20-,21-,23-,24-/m0/s1
PubChem CID	159564
ChEMBL	CHEMBL143939
IUPHAR	N/A
BindingDB	50068133
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

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
364165	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
364171	Delta-type opioid receptor	P33533	Oprd1	Rattus norvegicus (Rat)	372
364167	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
364168	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398
364170	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98
364169	Nociceptin receptor	P47748	OPRL1	Cavia porcellus (Guinea pig)	370

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