BioLiP

PDB

BioLiP

PDB CCD ID:

TM0

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3 O

InChI:

InChI=1S/C11H13N3O/c1-8(12)11-13-10(14-15-11)7-9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3/t8-/m1/s1

InChIKey:

TXLVGLOXMNZBCL-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(c1nc(no1)Cc2ccccc2)N
CACTVS 3.385	C[CH](N)c1onc(Cc2ccccc2)n1
OpenEye OEToolkits 2.0.7	C[C@H](c1nc(no1)Cc2ccccc2)N
CACTVS 3.385	C[C@@H](N)c1onc(Cc2ccccc2)n1
ACDLabs 12.01	CC(N)c1nc(Cc2ccccc2)no1

Name:

(1R)-1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine

ZINC:

ZINC000021813802

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).