BioLiP

PDB

BioLiP

PDB CCD ID:

EFW

Number of entries in BioLiP:

Chemical formula:

C11 H15 N3 O2

InChI:

InChI=1S/C11H15N3O2/c12-11(16)7-1-4-10(13-6-7)14-8-2-3-9(15)5-8/h1,4,6,8-9,15H,2-3,5H2,(H2,12,16)(H,13,14)/t8-,9-/m1/s1

InChIKey:

PLJXPUZSPCVRPI-RKDXNWHRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cc(ncc1C(=O)N)NC2CCC(C2)O
CACTVS 3.370	NC(=O)c1ccc(N[C@@H]2CC[C@@H](O)C2)nc1
OpenEye OEToolkits 1.7.6	c1cc(ncc1C(=O)N)N[C@@H]2CC[C@H](C2)O
ACDLabs 12.01	O=C(c2cnc(NC1CC(O)CC1)cc2)N
CACTVS 3.370	NC(=O)c1ccc(N[CH]2CC[CH](O)C2)nc1

Name:

6-{[(1R,3R)-3-hydroxycyclopentyl]amino}pyridine-3-carboxamide

ZINC:

ZINC000348228664

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).