BioLiP

PDB

BioLiP

PDB CCD ID:

UHA

Number of entries in BioLiP:

Chemical formula:

C15 H15 Cl N2 O

InChI:

InChI=1S/C15H15ClN2O/c1-10-6-7-17-9-14(10)18-15(19)11(2)12-4-3-5-13(16)8-12/h3-9,11H,1-2H3,(H,18,19)/t11-/m1/s1

InChIKey:

WNGGAWMEODUSED-LLVKDONJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
ACDLabs 12.01	n1ccc(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)[C@H](C)c2cccc(c2)Cl
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)C(C)c2cccc(c2)Cl
CACTVS 3.385	C[C@@H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2

Name:

(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide

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).