BioLiP

PDB

BioLiP

PDB CCD ID:

58G

Number of entries in BioLiP:

Chemical formula:

C17 H19 N3 O

InChI:

InChI=1S/C17H19N3O/c18-17(21)14-7-9-16(19-11-14)20-15-8-6-13(10-15)12-4-2-1-3-5-12/h1-5,7,9,11,13,15H,6,8,10H2,(H2,18,21)(H,19,20)/t13-,15+/m0/s1

InChIKey:

JBSAILAEEJVXKB-DZGCQCFKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1ccc(cc1)[C@H]2CC[C@H](C2)Nc3ccc(cn3)C(=O)N
CACTVS 3.385	NC(=O)c1ccc(N[C@@H]2CC[C@@H](C2)c3ccccc3)nc1
CACTVS 3.385	NC(=O)c1ccc(N[CH]2CC[CH](C2)c3ccccc3)nc1
ACDLabs 12.01	c1ccc(cc1)C2CCC(C2)Nc3ccc(cn3)C(N)=O
OpenEye OEToolkits 1.9.2	c1ccc(cc1)C2CCC(C2)Nc3ccc(cn3)C(=O)N

Name:

6-{[(1R,3S)-3-phenylcyclopentyl]amino}pyridine-3-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).