BioLiP

PDB

BioLiP

PDB CCD ID:

ZRI

Number of entries in BioLiP:

Chemical formula:

C9 H9 N O2

InChI:

InChI=1S/C9H9NO2/c11-9(12)7-5-6(7)8-3-1-2-4-10-8/h1-4,6-7H,5H2,(H,11,12)/t6-,7-/m0/s1

InChIKey:

ZFZMEVZZAIRAHE-BQBZGAKWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1C[CH]1c2ccccn2
CACTVS 3.385	OC(=O)[C@H]1C[C@@H]1c2ccccn2
OpenEye OEToolkits 2.0.7	c1ccnc(c1)[C@H]2C[C@@H]2C(=O)O
ACDLabs 12.01	O=C(O)C1CC1c1ccccn1
OpenEye OEToolkits 2.0.7	c1ccnc(c1)C2CC2C(=O)O

Name:

(1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid

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).