BioLiP

PDB

BioLiP

PDB CCD ID:

U3C

Number of entries in BioLiP:

Chemical formula:

C11 H15 N3 O

InChI:

InChI=1S/C11H15N3O/c1-8-4-2-6-10(13-8)14-11(15)9-5-3-7-12-9/h2,4,6,9,12H,3,5,7H2,1H3,(H,13,14,15)/t9-/m1/s1

InChIKey:

QILVMVSMHKJUDZ-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(n1)NC(=O)C2CCCN2
ACDLabs 12.01	O=C(Nc1cccc(C)n1)C1CCCN1
OpenEye OEToolkits 2.0.7	Cc1cccc(n1)NC(=O)[C@H]2CCCN2
CACTVS 3.385	Cc1cccc(NC(=O)[C@H]2CCCN2)n1
CACTVS 3.385	Cc1cccc(NC(=O)[CH]2CCCN2)n1

Name:

N-(6-methylpyridin-2-yl)-D-prolinamide

ZINC:

ZINC000158527183

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).