BioLiP

PDB

BioLiP

PDB CCD ID:

A1BG9

Number of entries in BioLiP:

Chemical formula:

C15 H19 N5 O

InChI:

InChI=1S/C15H19N5O/c1-10-13(15(21)19-12-6-2-3-8-17-12)20-14(18-10)11-5-4-7-16-9-11/h2-3,6,8,11,16H,4-5,7,9H2,1H3,(H,18,20)(H,17,19,21)/t11-/m0/s1

InChIKey:

XCVYJDDLPGWFGF-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1c([nH]c(n1)C2CCCNC2)C(=O)Nc3ccccn3
CACTVS 3.385	Cc1nc([nH]c1C(=O)Nc2ccccn2)[C@H]3CCCNC3
ACDLabs 14.52	Cc1nc([NH]c1C(=O)Nc1ccccn1)C1CCCNC1
OpenEye OEToolkits 3.1.0.0	Cc1c([nH]c(n1)[C@H]2CCCNC2)C(=O)Nc3ccccn3
CACTVS 3.385	Cc1nc([nH]c1C(=O)Nc2ccccn2)[CH]3CCCNC3

Name:

4-methyl-2-[(3S)-piperidin-3-yl]-N-(pyridin-2-yl)-1H-imidazole-5-carboxamide

ChEMBL:

CHEMBL5605978

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).