BioLiP

PDB

BioLiP

PDB CCD ID:

V0X

Number of entries in BioLiP:

Chemical formula:

C8 H9 N O

InChI:

InChI=1S/C8H9NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2/t7-/m0/s1

InChIKey:

PLCGAGSBVAGXMP-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)[C@H](CO2)N
CACTVS 3.385	N[C@H]1COc2ccccc12
CACTVS 3.385	N[CH]1COc2ccccc12
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C(CO2)N
ACDLabs 12.01	NC1COc2ccccc21

Name:

(3R)-2,3-dihydro-1-benzofuran-3-amine

ZINC:

ZINC000008699618

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).