BioLiP

PDB

BioLiP

PDB CCD ID:

077

Number of entries in BioLiP:

Chemical formula:

C17 H18 O3

InChI:

InChI=1S/C17H18O3/c18-16(12-17(19)20)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18H,8,11-12H2,(H,19,20)/t16-/m0/s1

InChIKey:

ILGSIIFHQGOKKV-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.352	O[C@@H](CCc1ccc(cc1)c2ccccc2)CC(O)=O
OpenEye OEToolkits 1.6.1	c1ccc(cc1)c2ccc(cc2)CCC(CC(=O)O)O
ACDLabs 10.04	O=C(O)CC(O)CCc1ccc(cc1)c2ccccc2
OpenEye OEToolkits 1.6.1	c1ccc(cc1)c2ccc(cc2)CC[C@@H](CC(=O)O)O
CACTVS 3.352	O[CH](CCc1ccc(cc1)c2ccccc2)CC(O)=O

Name:

(3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid

ZINC:

ZINC000045285503

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).