BioLiP

PDB

BioLiP

PDB CCD ID:

A1IIG

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O2 S

InChI:

InChI=1S/C7H9NO2S/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)/t5-/m0/s1

InChIKey:

GYAYLYLPTPXESE-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](CC(O)=O)c1sccc1
OpenEye OEToolkits 2.0.7	c1cc(sc1)C(CC(=O)O)N
OpenEye OEToolkits 2.0.7	c1cc(sc1)[C@H](CC(=O)O)N
CACTVS 3.385	N[CH](CC(O)=O)c1sccc1

Name:

(3~{S})-3-azanyl-3-thiophen-2-yl-propanoic acid

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).