BioLiP

PDB

BioLiP

PDB CCD ID:

G6L

Number of entries in BioLiP:

Chemical formula:

C10 H17 N3 S

InChI:

InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m0/s1

InChIKey:

FASDKYOPVNHBLU-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCN[C@H]1CCc2c(sc(n2)N)C1
CACTVS 3.385	CCCN[CH]1CCc2nc(N)sc2C1
CACTVS 3.385	CCCN[C@H]1CCc2nc(N)sc2C1
OpenEye OEToolkits 2.0.7	CCCNC1CCc2c(sc(n2)N)C1

Name:

(6S)-N6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

ChEMBL:

CHEMBL301265

DrugBank:

DB00413

ZINC:

ZINC000003781664

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).