BioLiP

PDB

BioLiP

PDB CCD ID:

RCF

Number of entries in BioLiP:

Chemical formula:

C16 H12 F N O4

InChI:

InChI=1S/C16H12FNO4/c1-10(16(19)20)21-12-3-5-13(6-4-12)22-15-7-2-11(9-18)8-14(15)17/h2-8,10H,1H3,(H,19,20)/t10-/m1/s1

InChIKey:

ROBSGBGTWRRYSK-SNVBAGLBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(O)=O
CACTVS 3.385	C[CH](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(O)=O
OpenEye OEToolkits 2.0.7	C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C#N
ACDLabs 12.01	N#Cc1ccc(c(c1)F)Oc2ccc(OC(C)C(O)=O)cc2
OpenEye OEToolkits 2.0.7	CC(C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C#N

Name:

(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid

ZINC:

ZINC000034473562

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).