BioLiP

PDB

BioLiP

PDB CCD ID:

HLC

Number of entries in BioLiP:

Chemical formula:

C14 H16 Cl N O4

InChI:

InChI=1S/C14H16ClNO4/c15-10-3-5-11(6-4-10)19-8-1-2-13(17)16-12-7-9-20-14(12)18/h3-6,12H,1-2,7-9H2,(H,16,17)/t12-/m0/s1

InChIKey:

BKVYYPQMGSVOHB-LBPRGKRZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	c1cc(ccc1OCCCC(=O)N[C@H]2CCOC2=O)Cl
CACTVS 3.370	Clc1ccc(OCCCC(=O)N[C@H]2CCOC2=O)cc1
ACDLabs 12.01	O=C2OCCC2NC(=O)CCCOc1ccc(Cl)cc1
OpenEye OEToolkits 1.7.0	c1cc(ccc1OCCCC(=O)NC2CCOC2=O)Cl
CACTVS 3.370	Clc1ccc(OCCCC(=O)N[CH]2CCOC2=O)cc1

Name:

4-(4-chlorophenoxy)-N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide

ChEMBL:

CHEMBL1615001

ZINC:

ZINC000064746265

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).