BioLiP

PDB

BioLiP

PDB CCD ID:

A1ABQ

Number of entries in BioLiP:

Chemical formula:

C10 H11 F N2 S

InChI:

InChI=1S/C10H11FN2S/c1-7-6-12-10(14-7)13-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m0/s1

InChIKey:

QAZPKSKUOOWBMI-ZETCQYMHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@H]1CN=C(Nc2ccc(F)cc2)S1
OpenEye OEToolkits 2.0.7	C[C@H]1CN=C(S1)Nc2ccc(cc2)F
OpenEye OEToolkits 2.0.7	CC1CN=C(S1)Nc2ccc(cc2)F
CACTVS 3.385	C[CH]1CN=C(Nc2ccc(F)cc2)S1
ACDLabs 12.01	CC1CN=C(Nc2ccc(F)cc2)S1

Name:

(5S)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine

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).