BioLiP

PDB

BioLiP

PDB CCD ID:

PMI

Number of entries in BioLiP:

Chemical formula:

C9 H12 N O3 P

InChI:

InChI=1S/C9H12NO3P/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9/h1-4H,5-6,10H2,(H2,11,12,13)

InChIKey:

YJFRDRWPYDVEIH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1(Cc2ccccc2C1)[P](O)(O)=O
ACDLabs 10.04	O=P(O)(O)C2(N)Cc1ccccc1C2
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)CC(C2)(N)P(=O)(O)O

Name:

(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)PHOSPHONIC ACID;
2-AMINOINDAN-2-PHOSPHONIC ACID

ZINC:

ZINC000013525586

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).