BioLiP

PDB

BioLiP

PDB CCD ID:

A1CW9

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O2

InChI:

InChI=1S/C10H14N2O2/c13-10(9-4-1-5-11-9)12-7-8-3-2-6-14-8/h1,4-5,8,11H,2-3,6-7H2,(H,12,13)/t8-/m1/s1

InChIKey:

LKMLGZWPERYNLQ-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc([nH]c1)C(=O)NC[C@H]2CCCO2
OpenEye OEToolkits 3.1.0.0	c1cc([nH]c1)C(=O)NCC2CCCO2
CACTVS 3.385	O=C(NC[CH]1CCCO1)c2[nH]ccc2
CACTVS 3.385	O=C(NC[C@H]1CCCO1)c2[nH]ccc2
ACDLabs 14.52	O=C(NCC1CCCO1)c1ccc[NH]1

Name:

N-{[(2R)-oxolan-2-yl]methyl}-1H-pyrrole-2-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).