BioLiP

PDB

BioLiP

PDB CCD ID:

VDD

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O2 S

InChI:

InChI=1S/C8H9NO2S/c1-6(8(10)11)12-7-4-2-3-5-9-7/h2-6H,1H3,(H,10,11)/t6-/m0/s1

InChIKey:

FAAIBCMHMKYUAH-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H](Sc1ccccn1)C(O)=O
OpenEye OEToolkits 2.0.7	C[C@@H](C(=O)O)Sc1ccccn1
CACTVS 3.385	C[CH](Sc1ccccn1)C(O)=O
ACDLabs 12.01	CC(Sc1ccccn1)C(=O)O
OpenEye OEToolkits 2.0.7	CC(C(=O)O)Sc1ccccn1

Name:

(2S)-2-[(pyridin-2-yl)sulfanyl]propanoic acid

ZINC:

ZINC000005739057

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).