BioLiP

PDB

BioLiP

PDB CCD ID:

A1CYA

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O2

InChI:

InChI=1S/C9H10N2O2/c1-7(12)9(13)11-6-8-4-2-3-5-10-8/h2-7,12H,1H3/b11-6-/t7-/m1/s1

InChIKey:

JCEANOGUMUZUGE-KLDHPSGWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H](O)C(=O)N=Cc1ccccn1
ACDLabs 14.52	CC(O)C(=O)/N=C\c1ccccn1
OpenEye OEToolkits 3.1.0.0	C[C@H](C(=O)/N=C\c1ccccn1)O
OpenEye OEToolkits 3.1.0.0	CC(C(=O)N=Cc1ccccn1)O
CACTVS 3.385	C[CH](O)C(=O)N=Cc1ccccn1

Name:

(2R)-2-hydroxy-N-[(Z)-(pyridin-2-yl)methylidene]propanamide

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).