BioLiP

PDB

BioLiP

PDB CCD ID:

32T

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O2 S

InChI:

InChI=1S/C9H10N2O2S/c10-6(9(12)13)3-5-4-11-7-1-2-14-8(5)7/h1-2,4,6,11H,3,10H2,(H,12,13)/t6-/m0/s1

InChIKey:

QWBFZWQMTNSOBK-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1csc2c1[nH]cc2CC(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)Cc2c1sccc1nc2
CACTVS 3.341	N[C@@H](Cc1c[nH]c2ccsc12)C(O)=O
OpenEye OEToolkits 1.5.0	c1csc2c1[nH]cc2C[C@@H](C(=O)O)N
CACTVS 3.341	N[CH](Cc1c[nH]c2ccsc12)C(O)=O

Name:

(S)-2-AMINO-3-(4H-THIENO[3,2-B]-PYRROL-6-YL)-PROPIONIC 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).