BioLiP

PDB

BioLiP

PDB CCD ID:

V2X

Number of entries in BioLiP:

Chemical formula:

C13 H16 N2 O2

InChI:

InChI=1S/C13H16N2O2/c1-8-4-3-5-10(6-8)11-7-12(11)13(17)15-14-9(2)16/h3-6,11-12H,7H2,1-2H3,(H,14,16)(H,15,17)/t11-,12+/m1/s1

InChIKey:

ZZBMEPNWKSBENV-NEPJUHHUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)NNC(=O)[C@H]1C[C@@H]1c2cccc(C)c2
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)C2CC2C(=O)NNC(=O)C
CACTVS 3.385	CC(=O)NNC(=O)[CH]1C[CH]1c2cccc(C)c2
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)[C@H]2C[C@@H]2C(=O)NNC(=O)C

Name:

(1~{S},2~{S})-~{N}'-ethanoyl-2-(3-methylphenyl)cyclopropane-1-carbohydrazide

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).