BioLiP

PDB

BioLiP

PDB CCD ID:

H3L

Number of entries in BioLiP:

Chemical formula:

C5 H10 N4

InChI:

InChI=1S/C5H10N4/c1-4(6)5-7-3-8-9(5)2/h3-4H,6H2,1-2H3/t4-/m0/s1

InChIKey:

OCXIKYJPCILJLE-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(c1ncnn1C)N
OpenEye OEToolkits 2.0.7	C[C@@H](c1ncnn1C)N
CACTVS 3.385	C[C@H](N)c1ncnn1C
CACTVS 3.385	C[CH](N)c1ncnn1C

Name:

(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethanamine

ZINC:

ZINC000042383647

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).