BioLiP

PDB

BioLiP

PDB CCD ID:

269

Number of entries in BioLiP:

Chemical formula:

C9 H11 Cl O

InChI:

InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1

InChIKey:

JZFUHAGLMZWKTF-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C(CCCl)O
OpenEye OEToolkits 1.5.0	c1ccc(cc1)[C@@H](CCCl)O
CACTVS 3.341	O[CH](CCCl)c1ccccc1
CACTVS 3.341	O[C@H](CCCl)c1ccccc1
ACDLabs 10.04	ClCCC(O)c1ccccc1

Name:

(1R)-3-chloro-1-phenylpropan-1-ol

DrugBank:

DB06934

ZINC:

ZINC000000160290

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).