BioLiP

PDB

BioLiP

PDB CCD ID:

XS8

Number of entries in BioLiP:

Chemical formula:

C9 H10 F N O

InChI:

InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1

InChIKey:

WVQYSVLMDHXHOV-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[CH]1CCOc2ccc(F)cc12
OpenEye OEToolkits 2.0.7	c1cc2c(cc1F)C(CCO2)N
CACTVS 3.385	N[C@H]1CCOc2ccc(F)cc12
OpenEye OEToolkits 2.0.7	c1cc2c(cc1F)[C@H](CCO2)N

Name:

(4~{S})-6-fluoranyl-3,4-dihydro-2~{H}-chromen-4-amine

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).