BioLiP

PDB

BioLiP

PDB CCD ID:

T7Q

Number of entries in BioLiP:

Chemical formula:

C16 H15 N2 O3

InChI:

InChI=1S/C16H14N2O3/c17-12(16(20)21)8-9-5-6-14-11(7-9)15(19)10-3-1-2-4-13(10)18-14/h1-7,12H,8,17H2,(H,18,19)(H,20,21)/p+1/t12-/m0/s1

InChIKey:

NPALYBYZIAGBTE-LBPRGKRZSA-O

SMILES:

Software	SMILES
CACTVS 3.385	[NH3+][CH](Cc1ccc2Nc3ccccc3C(=O)c2c1)C(O)=O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)c3cc(ccc3N2)CC(C(=O)O)[NH3+]
CACTVS 3.385	[NH3+][C@@H](Cc1ccc2Nc3ccccc3C(=O)c2c1)C(O)=O
ACDLabs 12.01	O=C(O)C([NH3+])Cc1cc2C(=O)c3ccccc3Nc2cc1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(=O)c3cc(ccc3N2)C[C@@H](C(=O)O)[NH3+]

Name:

(2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid;
acridone amino acid (RS1)

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).