BioLiP

PDB

BioLiP

PDB CCD ID:

RRH

Number of entries in BioLiP:

Chemical formula:

C24 H24 O3

InChI:

InChI=1S/C24H24O3/c1-17(2)21-10-6-7-11-22(21)19-12-14-20(15-13-19)27-23(24(25)26)16-18-8-4-3-5-9-18/h3-15,17,23H,16H2,1-2H3,(H,25,26)/t23-/m1/s1

InChIKey:

LGZFNUULAZCXCA-HSZRJFAPSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(C)c1ccccc1c2ccc(O[CH](Cc3ccccc3)C(O)=O)cc2
OpenEye OEToolkits 1.7.6	CC(C)c1ccccc1c2ccc(cc2)O[C@H](Cc3ccccc3)C(=O)O
CACTVS 3.370	CC(C)c1ccccc1c2ccc(O[C@H](Cc3ccccc3)C(O)=O)cc2
ACDLabs 12.01	O=C(O)C(Oc1ccc(cc1)c2ccccc2C(C)C)Cc3ccccc3
OpenEye OEToolkits 1.7.6	CC(C)c1ccccc1c2ccc(cc2)OC(Cc3ccccc3)C(=O)O

Name:

(2R)-3-phenyl-2-{[2'-(propan-2-yl)biphenyl-4-yl]oxy}propanoic acid

ChEMBL:

CHEMBL2312703

ZINC:

ZINC000095597509

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).