BioLiP

PDB

BioLiP

PDB CCD ID:

Q78

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O2 S

InChI:

InChI=1S/C7H9NO2S/c8-6(7(9)10)3-5-1-2-11-4-5/h1-2,4,6H,3,8H2,(H,9,10)/t6-/m0/s1

InChIKey:

VOIZSAUUYAGTMS-LURJTMIESA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[C@@H](Cc1cscc1)C(O)=O
OpenEye OEToolkits 2.0.7	c1cscc1CC(C(=O)O)N
OpenEye OEToolkits 2.0.7	c1cscc1C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](Cc1cscc1)C(O)=O

Name:

L-3-Thienylalanine;
(2S)-2-azanyl-3-thiophen-3-yl-propanoic acid;
3-(3-Thienyl)-l-alanine

ZINC:

ZINC000000334439

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).