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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	CHEMBL408929
Molecular formula	C59H98N18O18S
IUPAC name	(2S)-2-[[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular weight	1379.6
Hydrogen bond acceptor	22
Hydrogen bond donor	20
XlogP	-9.6
Synonyms	BDBM50008383 H-Ala-Asn-Ile-Ser-Phe-Lys-AspMet-GIn-Leu-Gly-Arg-OH
Inchi Key	AOVXWGGECSBEAF-DMTKBSSASA-N
Inchi ID	InChI=1S/C59H98N18O18S/c1-7-31(4)47(77-55(91)40(26-44(63)80)72-48(84)32(5)61)57(93)76-42(29-78)56(92)74-39(25-33-14-9-8-10-15-33)53(89)69-34(16-11-12-21-60)50(86)75-41(27-46(82)83)54(90)71-36(20-23-96-6)52(88)70-35(18-19-43(62)79)51(87)73-38(24-30(2)3)49(85)67-28-45(81)68-37(58(94)95)17-13-22-66-59(64)65/h8-10,14-15,30-32,34-42,47,78H,7,11-13,16-29,60-61H2,1-6H3,(H2,62,79)(H2,63,80)(H,67,85)(H,68,81)(H,69,89)(H,70,88)(H,71,90)(H,72,84)(H,73,87)(H,74,92)(H,75,86)(H,76,93)(H,77,91)(H,82,83)(H,94,95)(H4,64,65,66)/t31-,32-,34-,35-,36-,37-,38-,39-,40-,41-,42-,47-/m0/s1
PubChem CID	44353003
ChEMBL	CHEMBL408929
IUPHAR	N/A
BindingDB	50008383
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. 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
10634	C5a anaphylatoxin chemotactic receptor 1	P21730	C5AR1	Homo sapiens (Human)	350

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