BioLiP

PDB

BioLiP

PDB CCD ID:

C7I

Number of entries in BioLiP:

Chemical formula:

C11 H14 Cl N O3

InChI:

InChI=1S/C11H14ClNO3/c12-10-3-1-8(2-4-10)9(5-6-14)7-11(15)13-16/h1-4,9,14,16H,5-7H2,(H,13,15)/t9-/m1/s1

InChIKey:

QBLNQHDMSLPBCU-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(CCO)CC(=O)NO)Cl
OpenEye OEToolkits 2.0.7	c1cc(ccc1[C@H](CCO)CC(=O)NO)Cl
CACTVS 3.385	OCC[C@H](CC(=O)NO)c1ccc(Cl)cc1
ACDLabs 12.01	Clc1ccc(cc1)C(CCO)CC(=O)NO
CACTVS 3.385	OCC[CH](CC(=O)NO)c1ccc(Cl)cc1

Name:

(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide

ChEMBL:

CHEMBL4869874

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).