BioLiP

PDB

BioLiP

PDB CCD ID:

LB0

Number of entries in BioLiP:

Chemical formula:

C14 H18 N2 O

InChI:

InChI=1S/C14H18N2O/c1-9-4-5-15-8-13(9)16-14(17)12-6-11(7-12)10-2-3-10/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,16,17)/t11-,12-

InChIKey:

SPZNGMCOZXKTMM-HAQNSBGRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccncc1NC(=O)C2CC(C2)C3CC3
CACTVS 3.385	Cc1ccncc1NC(=O)[C@H]2C[C@@H](C2)C3CC3
CACTVS 3.385	Cc1ccncc1NC(=O)[CH]2C[CH](C2)C3CC3
ACDLabs 12.01	O=C(Nc1cnccc1C)C1CC(C1)C1CC1

Name:

(1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide

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).