BioLiP

PDB

BioLiP

PDB CCD ID:

L5X

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O S

InChI:

InChI=1S/C10H12N2OS/c1-7-6-11-10(14-7)12-8-3-2-4-9(13)5-8/h2-5,7,13H,6H2,1H3,(H,11,12)/t7-/m0/s1

InChIKey:

WAICHRCMCQSSEP-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1CN=C(Nc2cccc(O)c2)S1
ACDLabs 12.01	CC1CN=C(Nc2cc(O)ccc2)S1
OpenEye OEToolkits 2.0.7	CC1CN=C(S1)Nc2cccc(c2)O
OpenEye OEToolkits 2.0.7	C[C@H]1CN=C(S1)Nc2cccc(c2)O
CACTVS 3.385	C[C@H]1CN=C(Nc2cccc(O)c2)S1

Name:

3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol

ZINC:

ZINC000000333213

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).