BioLiP

PDB

BioLiP

PDB CCD ID:

A1CFD

Number of entries in BioLiP:

Chemical formula:

C11 H14 N2 O2

InChI:

InChI=1S/C11H14N2O2/c12-7-11(14)13-9-5-6-15-10-4-2-1-3-8(9)10/h1-4,9H,5-7,12H2,(H,13,14)/t9-/m1/s1

InChIKey:

RWJMQOAUQAINHS-SECBINFHSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	NCC(=O)NC1CCOc2ccccc21
OpenEye OEToolkits 3.1.0.0	c1ccc2c(c1)C(CCO2)NC(=O)CN
OpenEye OEToolkits 3.1.0.0	c1ccc2c(c1)[C@@H](CCO2)NC(=O)CN
CACTVS 3.385	NCC(=O)N[C@@H]1CCOc2ccccc12
CACTVS 3.385	NCC(=O)N[CH]1CCOc2ccccc12

Name:

N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]glycinamide

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).