BioLiP

PDB

BioLiP

PDB CCD ID:

6HM

Number of entries in BioLiP:

Chemical formula:

C16 H14 O4

InChI:

InChI=1S/C16H14O4/c17-15(18)14(16(19)20)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)(H,19,20)

InChIKey:

NRIDIKKHBOBNRS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O
CACTVS 3.385	OC(=O)C(Cc1ccccc1c2ccccc2)C(O)=O
ACDLabs 12.01	c2ccc(c1ccccc1)c(CC(C(O)=O)C(O)=O)c2

Name:

[([1,1'-biphenyl]-2-yl)methyl]propanedioic acid

ChEMBL:

CHEMBL1595667

ZINC:

ZINC000001615121

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).