BioLiP

PDB

BioLiP

PDB CCD ID:

SYG

Number of entries in BioLiP:

Chemical formula:

C9 H13 N O

InChI:

InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m0/s1

InChIKey:

SJYRIEHMQRIBEN-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[C@H](N)c1ccccc1O
OpenEye OEToolkits 2.0.6	CC[C@@H](c1ccccc1O)N
OpenEye OEToolkits 2.0.6	CCC(c1ccccc1O)N
CACTVS 3.385	CC[CH](N)c1ccccc1O

Name:

2-[(1~{S})-1-azanylpropyl]phenol

ZINC:

ZINC000022142789

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).