BioLiP

PDB

BioLiP

PDB CCD ID:

A1BN4

Number of entries in BioLiP:

Chemical formula:

C13 H17 N3 O3

InChI:

InChI=1S/C13H17N3O3/c14-12(18)10-4-2-6-16(8-10)11(17)7-9-3-1-5-15-13(9)19/h1,3,5,10H,2,4,6-8H2,(H2,14,18)(H,15,19)/t10-/m0/s1

InChIKey:

YJUWSGAKKBDWFC-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc(c(nc1)O)CC(=O)N2CCCC(C2)C(=O)N
CACTVS 3.385	NC(=O)[C@H]1CCCN(C1)C(=O)Cc2cccnc2O
ACDLabs 14.52	O=C(Cc1cccnc1O)N1CCCC(C1)C(N)=O
CACTVS 3.385	NC(=O)[CH]1CCCN(C1)C(=O)Cc2cccnc2O
OpenEye OEToolkits 3.1.0.0	c1cc(c(nc1)O)CC(=O)N2CCC[C@@H](C2)C(=O)N

Name:

(3S)-1-[(2-hydroxypyridin-3-yl)acetyl]piperidine-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).