BioLiP

PDB

BioLiP

PDB CCD ID:

A4F

Number of entries in BioLiP:

Chemical formula:

C20 H13 N O5

InChI:

InChI=1S/C20H13NO5/c21-10-1-4-13(16(7-10)20(24)25)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25)

InChIKey:

UTUYQGGHTUQHQQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccc(c(c1)C(O)=O)C2=C3C=CC(=O)C=C3Oc4cc(O)ccc24
OpenEye OEToolkits 1.9.2	c1cc(c(cc1N)C(=O)O)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O
ACDLabs 12.01	OC(c1cc(N)ccc1C2=C4C=CC(C=C4Oc3c2ccc(c3)O)=O)=O

Name:

5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid;
5-aminofluorescein

ChEMBL:

CHEMBL1315872

ZINC:

ZINC000005223920

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).