BioLiP

PDB

BioLiP

PDB CCD ID:

1JQ

Number of entries in BioLiP:

Chemical formula:

C13 H13 N O3

InChI:

InChI=1S/C13H13NO3/c1-9(13(15)16)7-11-8-12(14-17-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,15,16)/t9-/m1/s1

InChIKey:

HPQASJUROLCNSA-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.6.1	C[C@H](Cc1cc(no1)c2ccccc2)C(=O)O
CACTVS 3.352	C[CH](Cc1onc(c1)c2ccccc2)C(O)=O
OpenEye OEToolkits 1.6.1	CC(Cc1cc(no1)c2ccccc2)C(=O)O
CACTVS 3.352	C[C@H](Cc1onc(c1)c2ccccc2)C(O)=O

Name:

(2R)-2-methyl-3-(3-phenyl-1,2-oxazol-5-yl)propanoic acid

ZINC:

ZINC000098207977

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).