BioLiP

PDB

BioLiP

PDB CCD ID:

BFL

Number of entries in BioLiP:

Chemical formula:

C15 H14 O2

InChI:

InChI=1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)/t11-/m0/s1

InChIKey:

JALUUBQFLPUJMY-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.341	C[C@H](C(O)=O)c1ccc(cc1)c2ccccc2
OpenEye OEToolkits 1.5.0	C[C@@H](c1ccc(cc1)c2ccccc2)C(=O)O
CACTVS 3.341	C[CH](C(O)=O)c1ccc(cc1)c2ccccc2
ACDLabs 10.04	O=C(O)C(c2ccc(c1ccccc1)cc2)C
OpenEye OEToolkits 1.5.0	CC(c1ccc(cc1)c2ccccc2)C(=O)O

Name:

2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID

DrugBank:

DB02047

ZINC:

ZINC000000000361

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).